Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000001033017 JK Annotated Mild O=C(NNC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)o1)c1ccc(Cl)cc1 ZINC000001047566 JK Annotated Reactive CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(F)ccc1F ZINC000001065048 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(F)ccc1F ZINC000001065053 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(F)ccc1F ZINC000001065057 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(F)ccc1F ZINC000001065060 JK Annotated Mild COc1ccc(OC)c2sc(N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)nc12 ZINC000001089797 JK Annotated Clean CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=N1 ZINC000001130249 JK Annotated Anodyne Cc1nc2c(oc3nc(-c4ccoc4)c4c(c32)CC(C)(C)OC4)c(-c2ccccc2)c1C(=O)O ZINC000001132109 JK Annotated Anodyne CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1cc(Cl)ccc1Cl ZINC000001163726 JK Annotated Anodyne O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)Nc1ccccc1F ZINC000001166810 JK Annotated Anodyne CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Br)cc1 ZINC000001199340 JK Annotated Reactive CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Br)cc1 ZINC000001199342 JK Annotated Reactive O=C1N=C(O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Br)c1 ZINC000001203558 JK Annotated Clean COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000001387728 JK Annotated Mild CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000001437036 JK Annotated Reactive Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1 ZINC000001485293 JK Annotated Anodyne COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1 ZINC000001490206 JK Annotated Anodyne CCN(CC)C/C=C/c1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000001494202 JK Annotated Anodyne C=CC(C)(C)c1c[nH]c2cccc(/C=C\[C@@]3(C)CCC=C[C@H]3c3ccc4c(c3)[C@H](C(C)(C)C=C)CN4)c12 ZINC000100003206 JK Annotated Mild in-vitro biogenic Cn1c2c3c(nc-2c(-c2c4nc5ccccc5c-4n(C)c4ccccc24)c2ccccc21)CC=CC3 ZINC000100003416 JK Annotated Clean in-vitro biogenic CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)/C1=C(\O)OC(C)C ZINC000100050573 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@@H](C2=CCN(C(=O)OC(C)(C)C)C=C2)/C1=C(\O)OCC(C)C ZINC000100050602 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)/C1=C(\O)OC(C)C ZINC000100050648 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)/C1=C(\O)OCC(C)C ZINC000100050759 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccccn2)c2cccc(NC(C)=O)c2)cc1 ZINC000100057814 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccccn2)c2cccc(NC(C)=O)c2)cc1 ZINC000100057816 JK Annotated Anodyne CCNC(=O)c1ccc(C(C2=CN(OC)C=CC2)=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000100057849 JK Annotated Anodyne CCNC(=O)c1ccc(C(C2=CN(OC)C=CC2)=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 ZINC000100057854 JK Annotated Anodyne N#Cc1cccc([C@]23CC[C@@H](N(CCNCCF)C(=O)Nc4cc(Cl)nc(Cl)c4)C[C@@H]2C3)c1 ZINC000100067449 JK Annotated Mild Cc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(OCC[18F])cc2)c2cccc(C#N)c2)nc1 ZINC000100067728 JK Annotated Mild Oc1ccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4ccc(O)cc4)c3)ccn2)cc1 ZINC000100068007 JK Annotated Anodyne Oc1ccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(O)cc4)c3)ccn2)cc1 ZINC000100068011 JK Annotated Anodyne Oc1cccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4cccc(O)c4)c3)ccn2)c1 ZINC000100068013 JK Annotated Anodyne Oc1cccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(O)c4)c3)ccn2)c1 ZINC000100068016 JK Annotated Anodyne Cc1ccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4ccc(C)cc4)c3)ccn2)cc1 ZINC000100068020 JK Annotated Anodyne Cc1ccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(C)cc4)c3)ccn2)cc1 ZINC000100068022 JK Annotated Anodyne Cc1cccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4cccc(C)c4)c3)ccn2)c1 ZINC000100068024 JK Annotated Anodyne Cc1cccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(C)c4)c3)ccn2)c1 ZINC000100068026 JK Annotated Anodyne Fc1c(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)cccc1C(F)(F)F ZINC000100068444 JK Annotated Anodyne Fc1c(Br)cccc1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1 ZINC000100068531 JK Annotated Anodyne Fc1c(Cl)cccc1-c1nc2ccn(Cc3ccc(I)cc3)cc-2n1 ZINC000100068592 JK Annotated Anodyne c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-2 ZINC000100074287 JK Annotated Anodyne in-vitro COc1cc(C(=O)OCC(C)(C)CC2=C(O)c3ccccc3C(=O)C2=O)c(OC)c2ccccc12 ZINC000100076952 JK Annotated Mild in-vitro biogenic O=C(Cc1cccc2occc12)Nc1cc[n+](CCCc2ccccc2)c(Br)c1 ZINC000100077021 JK Annotated Anodyne CC(C)=CCC1=C(O)c2c(cc3cc(C)cc(O)c3c2O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000100077117 JK Annotated Mild in-vitro biogenic CN(C)CC1(c2ccccn2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000100078168 JK Annotated Anodyne NCC1(c2ccccn2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000100078231 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000100078280 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000100078282 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccccc1 ZINC000100078285 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccccc1 ZINC000100078287 JK Annotated Anodyne COc1cccc(C2(CN)C[C@@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 ZINC000100078379 JK Annotated Anodyne Cc1ccnc(C2(O)C[C@H]3CC[C@H](C2)N3[C@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000100081342 JK Annotated Anodyne Cc1ccnc(C2(O)C[C@H]3CC[C@H](C2)N3[C@@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000100081348 JK Annotated Anodyne NC1(c2ccc(F)cn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000100081532 JK Annotated Anodyne C/C(=C/C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000100084123 JK Annotated Clean in-man endogenous C/C(=C/C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000100084129 JK Annotated Clean in-man endogenous C/C(=C\C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000100084131 JK Annotated Clean in-man endogenous O=S(=O)(c1ccc(-c2ccccc2)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100085959 JK Annotated Anodyne CC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)C=C3)C1=O ZINC000100088686 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)C=C3)C1=O ZINC000100088693 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(OCC=C(C)C)cc(O)c(C(C)=O)c2O)C1=O ZINC000100088702 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(OCC=C(C)C)cc(O)c(C(C)=O)c2O)C1=O ZINC000100088706 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)C1=O ZINC000100088710 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)C1=O ZINC000100088716 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(C(C)=O)c(O)c3c2OC(C)(C)C=C3)C1=O ZINC000100088720 JK Annotated Mild in-vitro CC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(C(C)=O)c(O)c3c2OC(C)(C)C=C3)C1=O ZINC000100088725 JK Annotated Mild in-vitro COC(=O)/C=C1\C(C(C)=O)=CC=C2[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC)C[C@H]4[C@]3(C)CC[C@]21C ZINC000100088737 JK Annotated Mild in-vitro COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000100089008 JK Annotated Mild in-vitro COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000100089009 JK Annotated Mild in-vitro COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000100089011 JK Annotated Mild in-vitro COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000100089013 JK Annotated Mild in-vitro COc1cccc(C2C[C@@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 ZINC000100091086 JK Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000100091839 JK Annotated Mild in-vitro CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000100091842 JK Annotated Mild in-vitro O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100094572 JK Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(-c6ccccc6)cc5)C[C@@H]3N4)cc2)c1 ZINC000100094836 JK Annotated Mild CCOc1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](NCc4ccccc4)CC3)c(C#N)c3ccnn23)cc1 ZINC000100095227 JK Annotated Mild CC(=O)N1[C@@H]2CC[C@@H]1CC(c1ccnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000100095719 JK Annotated Anodyne CC(=O)N1[C@H]2CC[C@H]1CC(c1ccnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000100095721 JK Annotated Anodyne CCOC(=O)N1[C@@H]2CC[C@@H]1CC(c1ccnc3c(-c4ccc(C)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000100095764 JK Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC(c1ccnc3c(-c4ccc(C)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000100095769 JK Annotated Anodyne CCN1[C@@H]2CC[C@@H]1CC(c1ccnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000100095870 JK Annotated Anodyne CCN1[C@H]2CC[C@H]1CC(c1ccnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000100095877 JK Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000100098113 JK Annotated Mild O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100098122 JK Annotated Anodyne N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000100098965 JK Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000100099406 JK Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Oc3ccccc3)c2)/C1=C(/O)c1ccco1 ZINC000100100479 JK Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)C[C@@H]2N3)cc1 ZINC000100101702 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000100102011 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000100102037 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)Cn2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000100102603 JK Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000100105853 JK Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000100105854 JK Annotated Anodyne N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(-c6ccccc6)cc5)C[C@@H]3N4)cc2)cc1 ZINC000100106823 JK Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccc3C(F)(F)F)cc2)c1 ZINC000100108742 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000100159215 JK Annotated Reactive CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)/c(=N\c3ccccc3C)oc2cc1O ZINC000100165240 JK Annotated Anodyne Cc1c(O)c(O)cc2c1C[C@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000100236357 JK Annotated Clean in-vitro Cc1c(O)c(O)cc2c1C[C@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000100236361 JK Annotated Clean in-vitro COC(=O)[C@@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100256144 JK Annotated Anodyne in-man metabolite COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100256150 JK Annotated Anodyne in-man metabolite COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100256155 JK Annotated Anodyne in-man metabolite COC(=O)[C@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100256163 JK Annotated Anodyne in-man metabolite CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H]1C ZINC000100257564 JK Annotated Anodyne in-man biogenic CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H]1C ZINC000100257569 JK Annotated Anodyne in-man biogenic CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H]1C ZINC000100257573 JK Annotated Anodyne in-man biogenic O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(Oc3ccccc3)c2)[C@@H]1C(=O)c1cccs1 ZINC000100275985 JK Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(Oc3ccccc3)c2)[C@@H]1C(=O)c1cccs1 ZINC000100275989 JK Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(Oc3ccccc3)c2)[C@H]1C(=O)c1cccs1 ZINC000100275993 JK Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(Oc3ccccc3)c2)[C@H]1C(=O)c1cccs1 ZINC000100276000 JK Annotated Anodyne CCC[C@]12C[C@@H](O[C@H](C)[C@H]1O)c1cc(Cl)c3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O ZINC000100302837 JK Annotated Clean in-vitro C/C1=C/C[C@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O ZINC000100308293 JK Annotated Reactive in-vitro C/C(=C\C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000100349824 JK Annotated Clean in-man C/C(=C/C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000100349830 JK Annotated Clean in-man Clc1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000100399327 JK Annotated Reactive O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000100419982 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@H](Nc2ccc3c4c(cccc24)C(=O)N(c2cccc(Br)c2)C3=O)CC1 ZINC000100439229 JK Annotated Anodyne O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)N1c2ccccc2CCc2ccccc21 ZINC000100443618 JK Annotated Anodyne O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000100443766 JK Annotated Anodyne O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 ZINC000100455416 JK Annotated Mild O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 ZINC000100455419 JK Annotated Mild Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2cccc(F)c2)cc1Br ZINC000100455465 JK Annotated Mild Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000100455467 JK Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100455487 JK Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100455494 JK Annotated Mild Cc1c(Cl)cccc1NC(=O)[C@@H]1S/C(=N\c2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000100464302 JK Annotated Mild CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000100474160 JK Annotated Anodyne CCOc1ccc(N2C(SCC(=O)N3CCc4ccccc43)=NN/C2=C2/C=Nc3ccccc32)cc1 ZINC000100484981 JK Annotated Anodyne C[C@@H]1N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000100491657 JK Annotated Anodyne in-man endogenous C[C@H]1N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000100491659 JK Annotated Anodyne in-man O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F ZINC000100491950 JK Annotated Mild O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F ZINC000100491953 JK Annotated Mild CSC1=N/C(=N\c2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccccc1Cl ZINC000100492256 JK Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C\Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 ZINC000100492746 JK Annotated Mild Cc1ccc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c(Cl)c1 ZINC000100507983 JK Annotated Anodyne CC[C@@H](C)c1ccc(-c2csc(CN3C(=O)c4ccccc4N/C3=C\N3CCN(C)CC3)n2)cc1 ZINC000100534244 JK Annotated Anodyne CC[C@H](C)c1ccc(-c2csc(CN3C(=O)c4ccccc4N/C3=C\N3CCN(C)CC3)n2)cc1 ZINC000100534252 JK Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)[C@@H]1C(c1ccccc1)[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000100547071 JK Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(c1ccccc1)[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000100547075 JK Annotated Anodyne O=C(C[C@@H]1S/C(=N\CCc2ccccc2)N(/N=C\c2cccs2)C1=O)Nc1ccc(Cl)cc1 ZINC000100550984 JK Annotated Mild O=C(C[C@@H]1S/C(=N\CCc2ccccc2)N(/N=C/c2cccs2)C1=O)Nc1ccc(Cl)cc1 ZINC000100550987 JK Annotated Mild O=C(C[C@H]1S/C(=N\CCc2ccccc2)N(/N=C/c2cccs2)C1=O)Nc1ccc(Cl)cc1 ZINC000100550992 JK Annotated Mild CC1(C)CC(=O)C(C(c2ccc(/C=C/c3ccccc3)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100577582 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C32)ccc1O ZINC000100615596 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C32)ccc1O ZINC000100615598 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C32)ccc1O ZINC000100615599 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C32)ccc1O ZINC000100615601 JK Annotated Anodyne COc1ccc(Cc2cccc3c2[C@@H]2CCCN(C(=O)c4ccc5c(c4)N=CC5)[C@H]2CC3)cc1 ZINC000100620962 JK Annotated Anodyne COc1ccc(Cc2cccc3c2[C@H]2CCCN(C(=O)c4ccc5c(c4)N=CC5)[C@H]2CC3)cc1 ZINC000100620963 JK Annotated Anodyne COc1ccc(Oc2ccc3c(c2)CC[C@H]2[C@@H]3CCCN2C(=O)c2ccc3c(c2)N=CC3)cc1 ZINC000100620991 JK Annotated Anodyne COc1ccc(Oc2ccc3c(c2)CC[C@H]2[C@H]3CCCN2C(=O)c2ccc3c(c2)N=CC3)cc1 ZINC000100620997 JK Annotated Anodyne C[C@]1(O)C[C@@](N)(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C1 ZINC000100627948 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000100630035 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000100630037 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000100630040 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000100630043 JK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1Cc1ccccc1 ZINC000100633050 JK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000100633053 JK Annotated Anodyne Cc1nc(-c2ccc(NC3=C[C@H](C4CCCCC4)N(c4ccc(-c5noc(C)n5)cc4)C3=O)cc2)no1 ZINC000100636042 JK Annotated Anodyne CO[C@@H]1CC[C@@H](CC(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5occc45)CC3)CC2)C1 ZINC000100636704 JK Annotated Anodyne Cc1cc2occc2c(N2CCN(CC[C@@H]3CC[C@@H](CC(=O)CC4CCOCC4)CC3)CC2)n1 ZINC000100636954 JK Annotated Anodyne Cc1cnc(N2CCN(CC[C@@H]3CC[C@@H](CC(=O)CC4CCOCC4)CC3)CC2)c2ccoc12 ZINC000100636976 JK Annotated Anodyne Cc1cc(CC(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)on1 ZINC000100638833 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)CC1(O)CCCCC1 ZINC000100638837 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@H]1CCCCO1 ZINC000100638840 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@@H]1CCCCO1 ZINC000100638843 JK Annotated Anodyne CO[C@@H]1CC[C@@H](CC(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)C1 ZINC000100638866 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@@H]1CCCOC1 ZINC000100638891 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@H]1CCCOC1 ZINC000100638892 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(C(F)(F)F)CC1 ZINC000100638904 JK Annotated Anodyne O=C(CC1CCOCC1)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638915 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccnc2ccccc12 ZINC000100638923 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000100638926 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1COc2ccccc2C1 ZINC000100638930 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1COc2ccccc2C1 ZINC000100638931 JK Annotated Anodyne CN1CCC(C(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CC1 ZINC000100638932 JK Annotated Anodyne CO[C@@H]1CC[C@@H](CC(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CC1 ZINC000100638936 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(O)CCCCC1 ZINC000100638940 JK Annotated Anodyne COC1(C(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CCCCC1 ZINC000100638943 JK Annotated Anodyne O=S(=O)(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccccc1 ZINC000100638950 JK Annotated Anodyne O=S(=O)(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(F)cc1 ZINC000100638955 JK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)Nc1ccc(Cl)cc1 ZINC000100638964 JK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C1 ZINC000100657972 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 ZINC000100676467 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 ZINC000100676470 JK Annotated Anodyne CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cc2ccccc2c2ccccc12 ZINC000100690924 JK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cc2ccccc2c2ccccc12 ZINC000100690929 JK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@H](O)c1ccc(Br)c2ccccc12 ZINC000100691717 JK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1ccc(Br)c2ccccc12 ZINC000100691719 JK Annotated Mild Oc1c2cnnc-2nc(SCc2ccc(C(F)(F)F)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000100703000 JK Annotated Anodyne Cc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)cc1 ZINC000100703014 JK Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000100703029 JK Annotated Clean Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000100703146 JK Annotated Reactive Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000100703147 JK Annotated Reactive Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@H]3c2cccnc2)cc1 ZINC000100703342 JK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@@H]3c2cccnc2)cc1 ZINC000100703343 JK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@H]3c2ccncc2)cc1 ZINC000100703381 JK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@@H]3c2ccncc2)cc1 ZINC000100703383 JK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@H]3c2cccs2)cc1 ZINC000100703429 JK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CC(C)(C)CC(O)=C2[C@@H]3c2cccs2)cc1 ZINC000100703430 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCc2ccccc21 ZINC000100703870 JK Annotated Anodyne Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2c3ccccc3nc-2c1O ZINC000100703916 JK Annotated Anodyne COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(Cl)cc2)o1 ZINC000100703933 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(CC)CC)cc1 ZINC000100703965 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(CC)CC)cc1 ZINC000100703967 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)Nc1ccccc1F ZINC000100703970 JK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704294 JK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704297 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704299 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704302 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3ccncc3)C2=C(O)C1 ZINC000100704318 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3ccncc3)C2=C(O)C1 ZINC000100704320 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704322 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704324 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704340 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704343 JK Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704351 JK Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704352 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccs3)C2=C(O)C1 ZINC000100704367 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccs3)C2=C(O)C1 ZINC000100704369 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704382 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704384 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704402 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704403 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704416 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704419 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2cccc(O)c2)CCC1 ZINC000100704432 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2cccc(O)c2)CCC1 ZINC000100704434 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccc(Br)c1 ZINC000100704440 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccc(Br)c1 ZINC000100704443 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704467 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704470 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2cccc(Br)c2)CCC1 ZINC000100704472 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2cccc(Br)c2)CCC1 ZINC000100704476 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3ccccc3)C2=C(O)C1 ZINC000100704478 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3ccccc3)C2=C(O)C1 ZINC000100704481 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3cccc(O)c3)C2=C(O)C1 ZINC000100704485 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3cccc(O)c3)C2=C(O)C1 ZINC000100704488 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H](c3cccc(O)c3)C2=C(O)C1 ZINC000100704495 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H](c3cccc(O)c3)C2=C(O)C1 ZINC000100704498 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(Br)c1 ZINC000100704506 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(Br)c1 ZINC000100704508 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2cccc(F)c2)CCC1 ZINC000100704511 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2cccc(F)c2)CCC1 ZINC000100704513 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704547 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704549 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3cccc(O)c3)C2=C(O)C1 ZINC000100704555 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3cccc(O)c3)C2=C(O)C1 ZINC000100704558 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3cccc(F)c3)C2=C(O)C1 ZINC000100704564 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3cccc(F)c3)C2=C(O)C1 ZINC000100704567 JK Annotated Anodyne CC(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704569 JK Annotated Anodyne CC(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704572 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2cccc(F)c2)CCC1 ZINC000100704577 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2cccc(F)c2)CCC1 ZINC000100704579 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000100704590 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2ccc(F)cc2)CCC1 ZINC000100704593 JK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704604 JK Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704606 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3cccc(F)c3)C2=C(O)C1 ZINC000100704659 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3cccc(F)c3)C2=C(O)C1 ZINC000100704663 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000100704685 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000100704688 JK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704690 JK Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704694 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000100704702 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2ccc(F)cc2)CCC1 ZINC000100704705 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000100704707 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000100704709 JK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704711 JK Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704713 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3Cl)nc(O)c21 ZINC000100704721 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3Cl)nc(O)c21 ZINC000100704724 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000100704771 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000100704775 JK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704782 JK Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704784 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3F)nc(O)c21 ZINC000100704793 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3F)nc(O)c21 ZINC000100704797 JK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704800 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704805 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000100704808 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000100704811 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3F)nc(O)c21 ZINC000100704814 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3F)nc(O)c21 ZINC000100704815 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H](c3ccccn3)C2=C(O)C1 ZINC000100704819 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H](c3ccccn3)C2=C(O)C1 ZINC000100704821 JK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1ccc(Cl)cc1 ZINC000100704836 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)c1 ZINC000100704839 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)c1 ZINC000100704841 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2cccs2)CCC1 ZINC000100704844 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2cccs2)CCC1 ZINC000100704847 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3)nc(O)c21 ZINC000100704895 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3)nc(O)c21 ZINC000100704898 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)c1 ZINC000100704917 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)c1 ZINC000100704921 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3ccccn3)C2=C(O)C1 ZINC000100704928 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3ccccn3)C2=C(O)C1 ZINC000100704931 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)c1 ZINC000100704934 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)c1 ZINC000100704938 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H](c3cccnc3)C2=C(O)C1 ZINC000100704941 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H](c3cccnc3)C2=C(O)C1 ZINC000100704943 JK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704953 JK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704955 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2cccnc2)CCC1 ZINC000100704958 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2cccnc2)CCC1 ZINC000100704960 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)c1 ZINC000100705000 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)c1 ZINC000100705002 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100705014 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100705018 JK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100705019 JK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100705023 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3cccnc3)C2=C(O)C1 ZINC000100705029 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3cccnc3)C2=C(O)C1 ZINC000100705032 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H](c3ccncc3)C2=C(O)C1 ZINC000100705041 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H](c3ccncc3)C2=C(O)C1 ZINC000100705045 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100705058 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100705061 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2ccncc2)CCC1 ZINC000100705063 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2ccncc2)CCC1 ZINC000100705066 JK Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)N3CCCCCC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705256 JK Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3F)nc3c4ccccc4nc-3c2O)c1 ZINC000100705260 JK Annotated Anodyne Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2)c1C ZINC000100705262 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000100705264 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705281 JK Annotated Anodyne CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2cccc(Cl)c2)CC1 ZINC000100705316 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)NCCc1ccccc1 ZINC000100705320 JK Annotated Anodyne CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705327 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000100705373 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)N1CCc2ccccc21 ZINC000100705390 JK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705391 JK Annotated Anodyne CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(Cl)cc2)CC1 ZINC000100705397 JK Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705406 JK Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)NCc3ccccc3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705412 JK Annotated Anodyne COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705430 JK Annotated Anodyne Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)c1C ZINC000100705432 JK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705447 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000100705458 JK Annotated Anodyne CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705459 JK Annotated Anodyne Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(Cl)cc2)c1C ZINC000100705461 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)NCc1ccccc1 ZINC000100705463 JK Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c4ccccc4nc-3c2O)c1 ZINC000100705475 JK Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c4ccccc4nc-3c2O)c1 ZINC000100705479 JK Annotated Anodyne COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705514 JK Annotated Anodyne Cc1ccc(C)c(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)c1 ZINC000100705516 JK Annotated Anodyne COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2-c2cccc(Cl)c2)o1 ZINC000100705547 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000100705560 JK Annotated Anodyne CCc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2)cc1 ZINC000100705589 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705603 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)c(C)c1 ZINC000100705617 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000100705663 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)Nc1cccc2ccccc12 ZINC000100705687 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705703 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705706 JK Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 ZINC000100705709 JK Annotated Anodyne CC[C@H]1CCCCN1C(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 ZINC000100705710 JK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N3CCCCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705721 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)Nc1nccs1 ZINC000100705725 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000100705753 JK Annotated Anodyne COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2-c2cc(C)cc(C)c2)o1 ZINC000100705764 JK Annotated Anodyne CCOc1ccccc1NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 ZINC000100705810 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)N1CCCCCC1 ZINC000100705823 JK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705826 JK Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 ZINC000100705850 JK Annotated Anodyne CC[C@H]1CCCCN1C(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 ZINC000100705854 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705900 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705905 JK Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705908 JK Annotated Anodyne COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705910 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000100705939 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCCc2ccccc21 ZINC000100705945 JK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000100705998 JK Annotated Anodyne Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000100706001 JK Annotated Bother Cc1ccc(C)c(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000100706014 JK Annotated Bother O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100706017 JK Annotated Bother Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000100706025 JK Annotated Bother Cc1cc(C)cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000100706030 JK Annotated Bother COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2-c2cccc(C(F)(F)F)c2)o1 ZINC000100706035 JK Annotated Anodyne Brc1ccc(Br)c2c1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 ZINC000100722008 JK Annotated Anodyne Brc1ccc(Br)c2c1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 ZINC000100722012 JK Annotated Anodyne CCCCCCCCOc1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722226 JK Annotated Mild CCCCCCCCOc1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722230 JK Annotated Mild c1ccc2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2n(Cc3ccc4ccccc4c3)cc[n+]21 ZINC000100726822 JK Annotated Anodyne c1ccc2c(c1)[C@@H]1c3n(Cc4ccc5ccccc5c4)cc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100726833 JK Annotated Anodyne C1=C[N+]2=C([C@H]1c1cccc3ccccc13)[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100726835 JK Annotated Anodyne c1ccc(C(c2ccccc2)n2cc[n+]3c2[C@@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000100726853 JK Annotated Anodyne c1ccc(C(c2ccccc2)n2cc[n+]3c2[C@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000100726865 JK Annotated Anodyne Fc1ccc(C2=C[C@H]3CC[C@H](C2)N3CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000100726995 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]12 ZINC000100735663 JK Annotated Anodyne CC1=C(O)[C@@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CCN(CC(=O)O)C2=O)OC1=O ZINC000100751839 JK Annotated Anodyne N#Cc1ccc(COC[C@H]2[C@@H]3C[C@](c4ccc(F)cc4)(CO3)[C@@H]2C/C=C/CCCC(=O)O)cc1 ZINC000100757018 JK Annotated Mild N#Cc1ccc(COC[C@H]2[C@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@@H]2C/C=C/CCCC(=O)O)cc1 ZINC000100757025 JK Annotated Mild N#Cc1ccc(COC[C@@H]2[C@@H]3C[C@](c4ccc(F)cc4)(CO3)[C@H]2C/C=C/CCCC(=O)O)cc1 ZINC000100757958 JK Annotated Mild N#Cc1ccc(COC[C@H]2[C@H](C/C=C/CCCC(=O)O)[C@]3(c4ccc(F)cc4)CO[C@@H]2C3)cc1 ZINC000100757968 JK Annotated Mild O=S1(=O)c2cccc3cccc(c23)N1CCCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2 ZINC000100758087 JK Annotated Anodyne O=C(c1ccc(F)cc1)C1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000100765487 JK Annotated Anodyne COc1ccc([C@H](C2=C(C)C(=O)c3ccccc3C2=O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000100766655 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000100770657 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000100770660 JK Annotated Mild C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000100772673 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000100772675 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000100772677 JK Annotated Anodyne in-man endogenous CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@@H](CC[C@@H]3C)C1(C)C ZINC000100772680 JK Annotated Anodyne in-man endogenous CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@@H](CC[C@@H]3C)C1(C)C ZINC000100772681 JK Annotated Anodyne in-man endogenous C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000100772891 JK Annotated Anodyne in-man endogenous C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000100772893 JK Annotated Anodyne in-man endogenous CC[C@@H](C)[C@@H](NC)/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C ZINC000100772949 JK Annotated Mild in-man endogenous CC[C@H](C)[C@@H](NC)/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C ZINC000100772950 JK Annotated Mild in-man endogenous CC[C@@H](C)[C@H](NC)/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C ZINC000100772952 JK Annotated Mild in-man endogenous CC[C@H](C)[C@H](NC)/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C ZINC000100772954 JK Annotated Mild in-man endogenous CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@H]3C ZINC000100773119 JK Annotated Anodyne in-man endogenous CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@H]3C ZINC000100773122 JK Annotated Anodyne in-man endogenous CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000100773124 JK Annotated Anodyne in-man endogenous C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000100773127 JK Annotated Anodyne in-man endogenous C[C@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000100773128 JK Annotated Anodyne in-man endogenous CC1=N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N=C3C ZINC000100773130 JK Annotated Anodyne in-man endogenous CC1=N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N=C3C ZINC000100773134 JK Annotated Anodyne in-man endogenous CO[C@@]12C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@H]12 ZINC000100773678 JK Annotated Anodyne in-man endogenous CO[C@]12C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@H]12 ZINC000100773680 JK Annotated Anodyne in-man endogenous CO[C@@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@H]12 ZINC000100773683 JK Annotated Anodyne in-man endogenous CO[C@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@H]12 ZINC000100773685 JK Annotated Anodyne in-man endogenous O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)O[C@@]23[C@H](O)c4ccccc4[C@H]2OC(=O)[C@H]13 ZINC000100775610 JK Annotated Anodyne CC1(C)C[C@H](O)[C@@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000100777909 JK Annotated Anodyne in-man endogenous CC1(C)C[C@H](O)[C@@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@@]4(C)C[C@@H]2O)[C@H]3C1 ZINC000100777911 JK Annotated Anodyne in-man endogenous CC1(C)C[C@H](O)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000100777913 JK Annotated Anodyne in-man endogenous CC1(C)C[C@H](O)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@@]4(C)C[C@@H]2O)[C@H]3C1 ZINC000100777915 JK Annotated Anodyne in-man endogenous CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000100778855 JK Annotated Mild in-man endogenous CCCCCCC[C@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000100778856 JK Annotated Mild in-man endogenous CCCCCCC[C@@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000100778859 JK Annotated Mild in-man endogenous CCCCCCC[C@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000100778860 JK Annotated Mild in-man endogenous CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@@H](CC[C@@]2(C)O1)C3(C)C ZINC000100778861 JK Annotated Mild in-man endogenous CCCCCCC[C@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@@H](CC[C@@]2(C)O1)C3(C)C ZINC000100778863 JK Annotated Mild in-man endogenous CCCCCCC[C@@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@@H](CC[C@@]2(C)O1)C3(C)C ZINC000100778864 JK Annotated Mild in-man endogenous CCCCCCC[C@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@@H](CC[C@@]2(C)O1)C3(C)C ZINC000100778866 JK Annotated Mild in-man endogenous C=C1CC[C@H]2CC=C(C#CC#CC[C@H]3O[C@H]3CCCCCCC)O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000100778867 JK Annotated Mild in-man endogenous C=C1CC[C@H]2CC=C(C#CC#CC[C@H]3O[C@@H]3CCCCCCC)O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000100778869 JK Annotated Mild in-man endogenous C=C1CC[C@H]2CC=C(C#CC#CC[C@@H]3O[C@H]3CCCCCCC)O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000100778871 JK Annotated Mild in-man endogenous C=C1CC[C@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000100778873 JK Annotated Mild in-man endogenous CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000100778886 JK Annotated Anodyne in-man endogenous CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000100778888 JK Annotated Anodyne in-man endogenous CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@@]1(C)CC3 ZINC000100778889 JK Annotated Anodyne in-man endogenous CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@@]1(C)CC3 ZINC000100778891 JK Annotated Anodyne in-man endogenous O=C1OCc2c1cc1cc(OCc3cccc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000100778954 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000100778961 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@@H]5C=C[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000100779075 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@H]5C=C[C@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000100779079 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@@H]5CC[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000100779137 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@H]5CC[C@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000100779140 JK Annotated Anodyne COC(=O)[C@@]1(CC=C(C)C)C[C@@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@@H](C(=O)C(C)C)C1=O ZINC000100779485 JK Annotated Anodyne in-man endogenous COC(=O)[C@]1(CC=C(C)C)C[C@@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@@H](C(=O)C(C)C)C1=O ZINC000100779487 JK Annotated Anodyne in-man endogenous COC(=O)[C@@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@@H](C(=O)C(C)C)C1=O ZINC000100779488 JK Annotated Anodyne in-man endogenous COC(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@@H](C(=O)C(C)C)C1=O ZINC000100779490 JK Annotated Anodyne in-man endogenous C=C(C)[C@@H]1CCC(=C)[C@@H](CC[C@@H]2C(C)=CC[C@@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000100780976 JK Annotated Mild in-man endogenous C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000100780978 JK Annotated Mild in-man endogenous C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@@H]2C(C)=CC[C@@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000100780981 JK Annotated Mild in-man endogenous C=C1CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)[C@H]1CC[C@@H]1C(C)=CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000100780983 JK Annotated Mild in-man endogenous CC[C@H](C1=C(O)O[C@@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781616 JK Annotated Mild CC[C@@H](C1=C(O)O[C@@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781621 JK Annotated Mild CC[C@H](C1=C(O)O[C@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781625 JK Annotated Mild CC[C@@H](C1=C(O)O[C@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781629 JK Annotated Mild CC[C@H](C1=C(O)O[C@@H]2CCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781745 JK Annotated Mild CC[C@@H](C1=C(O)O[C@@H]2CCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781750 JK Annotated Mild CC[C@H](C1=C(O)O[C@H]2CCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781757 JK Annotated Mild CC[C@@H](C1=C(O)O[C@H]2CCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781761 JK Annotated Mild C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@@]1(C)O ZINC000100782543 JK Annotated Mild in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@H]3C(=CC(=O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]2[C@@]1(C)O ZINC000100782546 JK Annotated Mild in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@@]1(C)O ZINC000100782549 JK Annotated Mild in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@H]3C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100782551 JK Annotated Mild in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000100782626 JK Annotated Anodyne in-man endogenous C=C1CC[C@@H]2[C@@H]([C@H]3[C@H]1CC[C@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000100782630 JK Annotated Mild in-man endogenous C=C1CC[C@@H]2[C@@H]([C@H]3[C@H]1CC[C@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000100782632 JK Annotated Mild in-man endogenous C=C1CC[C@@H]2[C@@H]([C@H]3[C@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000100782634 JK Annotated Mild in-man endogenous C=C1CC[C@@H]2[C@@H]([C@H]3[C@H]1CC[C@@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000100782637 JK Annotated Mild in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000100782657 JK Annotated Anodyne in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000100782658 JK Annotated Anodyne in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000100782661 JK Annotated Anodyne in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782664 JK Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782667 JK Annotated Anodyne in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782669 JK Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782672 JK Annotated Anodyne in-man endogenous CC1(C)CCC(=O)[C@]2(C)[C@H]3[C@@H](O)C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000100782741 JK Annotated Anodyne in-man endogenous CC1(C)CCC(=O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000100782745 JK Annotated Anodyne in-man endogenous CC1=C[C@H](O)[C@]2(C)[C@H](O)C[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000100782753 JK Annotated Anodyne in-man endogenous CC1=C[C@H](O)[C@]2(C)[C@H](O)C[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000100782754 JK Annotated Anodyne in-man endogenous CC1=C[C@H](O)[C@@]2(C)[C@H]([C@@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@H]2O)[C@H]1C ZINC000100782757 JK Annotated Anodyne in-man endogenous CC1=C[C@H](O)[C@@]2(C)[C@@H]([C@@H]1C)[C@@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@H]2O ZINC000100782759 JK Annotated Anodyne in-man endogenous CC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C\C(C)=C\C=C\C(C)=C/C=C1\C(C)=C[C@@H](O)CC1(C)C ZINC000100782883 JK Annotated Mild in-man endogenous CC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C\C(C)=C\C=C\C(C)=C/C=C1\C(C)=C[C@H](O)CC1(C)C ZINC000100782884 JK Annotated Mild in-man endogenous CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100782954 JK Annotated Mild in-man endogenous CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000100782956 JK Annotated Mild in-man endogenous CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000100782960 JK Annotated Mild in-man endogenous C=C1CC[C@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000100784289 JK Annotated Mild in-man endogenous C=C1CC[C@H]([C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000100784290 JK Annotated Mild in-man endogenous CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](/C=C/c2ccccc2)c2ccccc2)=C(O)O1 ZINC000100785376 JK Annotated Mild CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](/C=C/c2ccccc2)c2ccccc2)=C(O)O1 ZINC000100785383 JK Annotated Mild CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](/C=C/c2ccccc2)c2ccccc2)=C(O)O1 ZINC000100785389 JK Annotated Mild CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](/C=C/c2ccccc2)c2ccccc2)=C(O)O1 ZINC000100785397 JK Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2scc(C)c2C)cc1 ZINC000100790082 JK Annotated Clean O=S(=O)(Nc1c(O)nc2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O)C(F)(F)F ZINC000100801510 JK Annotated Anodyne O=S(=O)(NC[C@@H]1CC[C@@H](CNC[C@H]2CCc3ccccc3C2)CC1)c1cccc2ccccc12 ZINC000100801863 JK Annotated Anodyne O=S(=O)(NC[C@@H]1CC[C@@H](CNC[C@@H]2CCc3ccccc3C2)CC1)c1cccc2ccccc12 ZINC000100801865 JK Annotated Anodyne CSCC[C@]1(C)CC[C@@H](COc2ccc(OC(C)(C)C)cc2)[C@H](Cn2cncn2)/C1=N/O ZINC000100803821 JK Annotated Mild COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000100812610 JK Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000100812611 JK Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(Cl)cc4Cl)cc1)CN2C3 ZINC000100812612 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(Cl)cc4Cl)cc1)CN2C3 ZINC000100812613 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2Cl)c2ccc(O)cc2)cc1 ZINC000100814685 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccccc2Cl)c2ccc(O)cc2)cc1 ZINC000100814689 JK Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(CSc3cc(F)cc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000100815753 JK Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(CSc3cc(F)cc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000100815754 JK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2cccs2)c2ccc(O)cc2)cc1 ZINC000100818592 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2cccs2)c2ccc(O)cc2)cc1 ZINC000100818597 JK Annotated Anodyne CCCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100824698 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100824700 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000100829617 JK Annotated Mild in-man C=C(C)[C@H]1CCC2=C(CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000100829618 JK Annotated Mild in-man C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000100829620 JK Annotated Mild in-man C=C(C)[C@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000100829621 JK Annotated Mild in-man Cc1cc(SC2=C(O)O[C@@](CCc3ccoc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100829769 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccoc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100829772 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N ZINC000100830274 JK Annotated Mild Cc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4C(=O)c5ccccc5N[C@H]34)cc2)cc1 ZINC000100832842 JK Annotated Anodyne C[C@@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O ZINC000100834816 JK Annotated Reactive C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100834817 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCc3ccc(C(=O)O)cc3)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000100843257 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCc3ccc(C(=O)O)cc3)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000100843258 JK Annotated Reactive O=C1c2ccccc2/C(=N/Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Br)ccc1[N+](=O)[O-] ZINC000100846621 JK Annotated Mild CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(O)=C(c2ccc(-c3ccccc3)cc2)C1=O ZINC000100869207 JK Annotated Mild CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(O)=C(c2ccc(-c3ccccc3)cc2)C1=O ZINC000100869209 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C3CCCCC3)cc2)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000100880632 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C3CCCCC3)cc2)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000100880637 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2nc3cccc(Cl)c3c(O)c21 ZINC000100882057 JK Annotated Mild CCCCCCOC[C@@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100882920 JK Annotated Mild CCCCCCOC[C@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100882923 JK Annotated Mild CCCCCCOC[C@@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100882927 JK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100886971 JK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100886972 JK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000100886973 JK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000100886974 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2nc3cc(Cl)ccc3c(O)c21 ZINC000100887883 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2nc3cc(Cl)ccc3c(O)c21 ZINC000100887885 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccsc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889052 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3cscc3C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889069 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cscc3C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889070 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccco3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889108 JK Annotated Mild Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000100889740 JK Annotated Anodyne O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1[C@H]2CC[C@@H](C2)[C@H]1Cc1ccccc1 ZINC000100891189 JK Annotated Anodyne O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1[C@H]2CC[C@@H](C2)[C@@H]1Cc1ccccc1 ZINC000100891191 JK Annotated Anodyne C(/C=C/c1ccccc1)=N/c1ccc(SSc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 ZINC000100892701 JK Annotated Reactive CC(C)c1ccc(C(C)C)c(SC2=C(O)OC(c3ccccc3)(c3ccccc3)CC2=O)c1 ZINC000100896162 JK Annotated Mild C[C@@H]1C[C@@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@H]4C(C)(C)[C@@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000100897225 JK Annotated Anodyne in-vitro C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@H]4C(C)(C)[C@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000100897227 JK Annotated Anodyne in-vitro C[C@@H]1C[C@@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@H]4C(C)(C)[C@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000100897228 JK Annotated Anodyne in-vitro COc1cccc2sc([C@@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C)cc34)cc12 ZINC000100902934 JK Annotated Anodyne COc1cccc2sc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C)cc34)cc12 ZINC000100903493 JK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(CS(=O)(=O)c3ccc(F)cc3)c1)C1CC1)CCCCCC2 ZINC000100905330 JK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(CS(=O)(=O)c3ccc(F)cc3)c1)C1CC1)CCCCCC2 ZINC000100905332 JK Annotated Anodyne O=S(=O)(NC[C@@H]1CC[C@H](CNC[C@H]2CCc3ccccc3C2)CC1)c1cccc2ccccc12 ZINC000100907584 JK Annotated Anodyne O=S(=O)(NC[C@@H]1CC[C@H](CNC[C@@H]2CCc3ccccc3C2)CC1)c1cccc2ccccc12 ZINC000100907589 JK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F ZINC000100926723 JK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F ZINC000100926728 JK Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(NCc4ccccc4)=CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc32)N1C ZINC000100931686 JK Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(Nc4ccccc4)=CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc32)N1CC1CC1 ZINC000100931794 JK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000100934151 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000100934153 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000100934155 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000100934157 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000100934158 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000100934160 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000100934163 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000100934166 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000100940025 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000100940033 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000100940040 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000100940045 JK Annotated Mild COc1cccc(Nc2ns/c(=N\C(S)=N\c3ccc(Cl)cc3)n2-c2cccc(OC)c2)c1 ZINC000100944621 JK Annotated Mild Cc1ccccc1Nc1ns/c(=N\C(S)=N\c2ccc(Cl)cc2)n1-c1ccccc1C ZINC000100945003 JK Annotated Mild COc1ccccc1Nc1ns/c(=N\C(S)=N\c2ccc(Cl)cc2)n1-c1ccccc1OC ZINC000100948994 JK Annotated Mild COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000100951024 JK Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000100951026 JK Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4cc(Cl)cc(Cl)c4)cc1)CN2C3 ZINC000100951029 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4cc(Cl)cc(Cl)c4)cc1)CN2C3 ZINC000100951031 JK Annotated Anodyne CN(C(=O)Oc1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(C[N+]3([O-])CCCCC3)cc2)CC1 ZINC000100951825 JK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cccc2c(C3=C(O)C(O)=CC(=O)C3=O)c[nH]c12 ZINC000100956408 JK Annotated Mild Cc1ccc(C(=O)N[C@@H](CN2C[C@@H]3CC[C@@H]2C[C@@H]3Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000100970011 JK Annotated Anodyne Cc1ccc(C(=O)N[C@H](CN2C[C@@H]3CC[C@@H]2C[C@@H]3Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000100970016 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)COC(C)=O)C1=O ZINC000100971099 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)COC(C)=O)C1=O ZINC000100971102 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)COC(C)=O)C1=O ZINC000100971103 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)COC(C)=O)C1=O ZINC000100971105 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O ZINC000100971530 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O ZINC000100971533 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O ZINC000100971536 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O ZINC000100971538 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O ZINC000100971796 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O ZINC000100971798 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O ZINC000100971799 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O ZINC000100971801 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H]2COC(C)(C)O2)C1=O ZINC000100976541 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H]2COC(C)(C)O2)C1=O ZINC000100976545 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H]2COC(C)(C)O2)C1=O ZINC000100976550 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H]2COC(C)(C)O2)C1=O ZINC000100976552 JK Annotated Mild CCCCC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000100985672 JK Annotated Reactive N#Cc1ccc(C(F)(F)F)cc1/N=N/N(C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1C#N ZINC000100986771 JK Annotated Reactive N#Cc1ccc(C(F)(F)F)cc1/N=N\N(C(=O)CCl)c1cc(C(F)(F)F)ccc1C#N ZINC000100987062 JK Annotated Reactive CC(C)C(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000100987565 JK Annotated Reactive CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 ZINC000101000449 JK Annotated Reactive CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 ZINC000101000452 JK Annotated Reactive CN(C[C@@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)S(=O)(=O)c1ccccc1 ZINC000101000696 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccc(C#N)c2)cc1 ZINC000101012335 JK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(C#N)c2)cc1 ZINC000101012340 JK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccsc2)c2ccc3c(c2)OCO3)cc1 ZINC000101013025 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccsc2)c2ccc3c(c2)OCO3)cc1 ZINC000101013029 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101017180 JK Annotated Bother CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101017185 JK Annotated Bother CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc3c(c2)OCO3)cc1 ZINC000101017463 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc3c(c2)OCO3)cc1 ZINC000101017466 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccc(C(C)=O)c2)cc1 ZINC000101018328 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(C(C)=O)c2)cc1 ZINC000101018329 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccc(NC(C)=O)c2)cc1 ZINC000101020344 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(NC(C)=O)c2)cc1 ZINC000101020351 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(C(C)=O)cc2)cc1 ZINC000101022210 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(C(C)=O)cc2)cc1 ZINC000101022216 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(O)c(OC)c2)cc1 ZINC000101022225 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(O)c(OC)c2)cc1 ZINC000101022229 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cnc3ccccc3c2)cc1 ZINC000101022267 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cnc3ccccc3c2)cc1 ZINC000101022273 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000101022296 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000101022305 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccc(CO)c2)cc1 ZINC000101022344 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(CO)c2)cc1 ZINC000101022351 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2c(C)cccc2C)cc1 ZINC000101022531 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2c(C)cccc2C)cc1 ZINC000101022533 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(NC(C)=O)cc2)cc1 ZINC000101022607 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(NC(C)=O)cc2)cc1 ZINC000101022618 JK Annotated Anodyne CCOC(=O)c1ccc2c(c1)OC(c1cccc3ccccc13)=C(OC(=O)N(C)C)C1=[N+]2C=CC1 ZINC000101023783 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101025854 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101025857 JK Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(C2CCCCC2)cc1 ZINC000101026434 JK Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc(C2CCCCC2)cc1 ZINC000101026435 JK Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/CN3CCCCC3)ccc1C2)c1ccc(Cl)s1 ZINC000101027786 JK Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCCCC3)ccc1C2)c1ccc(Cl)s1 ZINC000101027794 JK Annotated Anodyne O=C(O)C1=C/C(=C/[C@H](c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O ZINC000101028233 JK Annotated Mild O=C(O)C1=C/C(=C/[C@@H](c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O ZINC000101028236 JK Annotated Mild CCN(CC)C(=S)/N=N/c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12 ZINC000101030294 JK Annotated Clean Cc1cc(/C=C2\OC(O)=C(c3cccc(Cl)c3)C2=O)ccc1-c1ccccc1C(F)(F)F ZINC000101032682 JK Annotated Mild Cc1cc(/C=C2\OC(O)=C(c3cc(Cl)cc(Cl)c3)C2=O)ccc1-c1ccccc1C(F)(F)F ZINC000101033210 JK Annotated Mild Cn1c(O)c(/N=N/C(=O)CCCCC(=O)/N=N/c2c(O)n(C)c3ccccc23)c2ccccc21 ZINC000101038305 JK Annotated Clean CC(=O)c1ccc(NC(=O)NCc2cccc(-c3cccc(-c4cc5c[nH]ccc-5n4)c3O)c2)cc1 ZINC000101042901 JK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)Nc1ccc(C(=O)O)cc1 ZINC000101042902 JK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)N(O)Cc1ccccc1 ZINC000101043484 JK Annotated Anodyne O=C(NCCc1cccs1)NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1 ZINC000101044693 JK Annotated Anodyne O=C(NCCc1ccccc1)NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1 ZINC000101045548 JK Annotated Anodyne O=C(Cc1c(F)cccc1F)NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1 ZINC000101047667 JK Annotated Anodyne CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCCc2ccccc21 ZINC000101047868 JK Annotated Anodyne CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCCc2ccccc21 ZINC000101047872 JK Annotated Anodyne CC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCCc2ccccc21 ZINC000101047876 JK Annotated Anodyne CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCCc2ccccc21 ZINC000101047880 JK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F ZINC000101049201 JK Annotated Anodyne O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F ZINC000101049206 JK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)Nc1cc(F)cc(F)c1 ZINC000101050007 JK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)Nc1ccc(F)c(F)c1 ZINC000101051340 JK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)Nc1c(F)cccc1F ZINC000101053011 JK Annotated Anodyne CC1=C(CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)[C@@H]2CCCCC2=N1 ZINC000101053456 JK Annotated Mild CC1=C(CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)[C@H]2CCCCC2=N1 ZINC000101053460 JK Annotated Mild c1ccc2/c(=N/CCCCCCCC/N=c3/c4ccccc4nc4n3CCC4)n3c(nc2c1)CCC3 ZINC000101059321 JK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(C(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101061988 JK Annotated Anodyne O=C1C(=C(O)Cc2ccccc2Cl)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101063600 JK Annotated Clean CCOC(=O)c1ccc(C(O)=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000101066248 JK Annotated Clean O=C1C(=C(O)c2cccc(C(F)(F)F)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101067033 JK Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000101070837 JK Annotated Clean Nc1c(Cl)cc(C(=O)N(C2CC2)[C@@H]2CC[C@H](C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000101074578 JK Annotated Anodyne Nc1c(Cl)cc(C(=O)N(C2CC2)[C@@H]2CC[C@H](C(=O)NCC3CCCCC3)CC2)cc1Cl ZINC000101074834 JK Annotated Anodyne C1=C\CCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(CC/C=C\C/1)C4)[C@H]2CC3 ZINC000101077845 JK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000101085203 JK Annotated Mild C/C(=C\Cn1cnc2c1C(=O)N(C)CN2C)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000101085515 JK Annotated Mild C/C(=C\CC/C(C)=C/Cn1cnc2c1C(=O)N(C)CN2C)CC/C=C(\C)CC(=O)CC(C)C ZINC000101085644 JK Annotated Anodyne CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1 ZINC000101086912 JK Annotated Anodyne CNC(=O)c1c(N(C)C=O)ncn1C/C=C(\C)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000101087712 JK Annotated Mild C[C@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(Br)o1)C(=O)N2c1ccccc1 ZINC000101087809 JK Annotated Anodyne C[C@@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccc(Br)o1)C(=O)N2c1ccccc1 ZINC000101087810 JK Annotated Anodyne O=C(O)C1=C(O)[C@H](Cc2ccccc2)CC(Cc2cc(Cc3ccccc3)c(O)c(C(=O)O)c2)=C1 ZINC000101089181 JK Annotated Anodyne O=C(O)C1=C(O)[C@@H](Cc2ccccc2)CC(Cc2cc(Cc3ccccc3)c(O)c(C(=O)O)c2)=C1 ZINC000101089184 JK Annotated Anodyne CC(C)c1ccc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000101094619 JK Annotated Anodyne N#Cc1ccc(C(O)=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000101099932 JK Annotated Mild O=C1C(=C(O)c2cccc(Cl)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101099944 JK Annotated Clean O=C1C(=C(O)c2ccc(Cl)c(Cl)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101099949 JK Annotated Clean CCOC(=O)C1=C(c2cccc(C)c2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000101118949 JK Annotated Mild COC(=O)CCCCCC[C@H]1C=CC(=O)/C1=C/CCCCOc1ccc(Br)cc1 ZINC000101122456 JK Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2/C1=[N+](/C)[O-] ZINC000101123912 JK Annotated Mild CCOC(=O)C1=C(c2ccc(Cl)cc2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000101124093 JK Annotated Mild CCCCCCCCCCCCC/C=C1/CCC[C@@H](NCc2ccccc2)[C@@H]1NCCCCCC ZINC000101129445 JK Annotated Mild COc1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 ZINC000101130433 JK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5ccc(OC(C)C)cc5n3)C4)C[C@@H]1CCC2 ZINC000101137506 JK Annotated Anodyne CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1[C@H]3CC[C@@H]1C[C@@H](Nc1ccc4ccc(OC(C)C)cc4n1)C3)C2 ZINC000101137508 JK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5ccc(OC(C)C)cc5n3)C4)C[C@H]1CCC2 ZINC000101137512 JK Annotated Anodyne CC(=O)N1[C@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5ccc(OC(C)C)cc5n3)C4)C[C@H]1CCC2 ZINC000101137514 JK Annotated Anodyne Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCCC1)c1ccccc1 ZINC000101141102 JK Annotated Anodyne CC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(N2CCCCC2)oc2ccc3ccccc3c2c1=O ZINC000101145758 JK Annotated Bother C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](c3ccc(C#N)cc3)CC2)cc1)C(F)(F)F ZINC000101167364 JK Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@@H]2C[C@](c3ccc(F)cc3)(CO2)[C@H]1C/C=C/CCCC(=O)O ZINC000101168246 JK Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@]2(c3ccc(F)cc3)CO[C@@H]1C2 ZINC000101168258 JK Annotated Mild C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@H](c3ccc(C#N)cc3)CC2)cc1)C(F)(F)F ZINC000101176095 JK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](C=C(C)C)(C2=O)C1(C)C ZINC000101178390 JK Annotated Mild O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1 ZINC000101180556 JK Annotated Anodyne O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-n5cccc5)cc4)cc2)C3)cc1 ZINC000101180677 JK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000101182122 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000101182128 JK Annotated Mild CCN(CC)C1(CCCC[C@@H]2CC[C@@H](N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000101190716 JK Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@@H]3CC[C@@H]2CC(O)(c2ccncn2)C3)c(Cl)c1 ZINC000101195738 JK Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@@H]3CC[C@@H]2CC(O)(c2ccncn2)C3)c(Cl)c1 ZINC000101195740 JK Annotated Anodyne O=C(Nc1ccccc1CCc1ccc(Cl)c(Cl)c1)[C@@H]1CS(=O)(=O)c2ccccc2C1=O ZINC000101205948 JK Annotated Anodyne C=C1CC[C@H]2[C@@]3(C)CC(O)=C(C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@@H]1Cc1c(OC)oc(C)c(C)c1=O ZINC000101210246 JK Annotated Mild C/C(=C\[C@@H]1OC(C)(C)O[C@@H]1[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)C(C(=O)O)=CC[C@H]12)C(=O)O ZINC000101211266 JK Annotated Anodyne C/C(=C\[C@H]1OC(C)(C)O[C@@H]1[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)C(C(=O)O)=CC[C@H]12)C(=O)O ZINC000101211268 JK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101215458 JK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101215462 JK Annotated Anodyne O=S(=O)(Nc1c(O)nc2cc(C(F)(F)F)ccc2c1-c1cc(Cl)ccc1O)C(F)(F)F ZINC000101219681 JK Annotated Anodyne O=C(/C=C(\O)c1cc(Br)cc(Br)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000101243730 JK Annotated Mild CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@@]13OO2 ZINC000101259520 JK Annotated Reactive C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)O ZINC000101262422 JK Annotated Reactive C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@]2(C)O ZINC000101262424 JK Annotated Reactive CC(C)c1ccccc1SC1=C(O)O[C@@](CCC(=O)N2CCOCC2)(c2ccccc2)CC1=O ZINC000101263866 JK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCC(=O)N2CCOCC2)(c2ccccc2)CC1=O ZINC000101263867 JK Annotated Mild Cc1cc(C)cc(C(=O)N2[C@@H]3C[C@H](NCc4ccnc5ccccc45)C[C@@H]2[C@H](c2ccccc2)C3)c1 ZINC000101267317 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@@H](c4ccccc4)[C@H]2C[C@H](NCc2ccnc4ccccc24)C3)c1 ZINC000101267319 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C=C(c4ccccc4)[C@H]2C[C@@H](NCc2ccnc4ccccc24)C3)c1 ZINC000101267331 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C=C(c4ccccc4)[C@H]2C[C@H](NCc2ccnc4ccccc24)C3)c1 ZINC000101267332 JK Annotated Anodyne c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@H]2CCCC[C@@H]21 ZINC000101269334 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@H]2CCCC[C@@H]21 ZINC000101269335 JK Annotated Anodyne c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCCN[C@H]1CCN[C@H]2CCCC[C@@H]21 ZINC000101269337 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@H]1CCN[C@H]2CCCC[C@@H]21 ZINC000101269343 JK Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000101275370 JK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101275543 JK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101275545 JK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000101275547 JK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000101275550 JK Annotated Mild CC(C)[C@H](CNCc1ccccc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](Cc2ccccc2)C1 ZINC000101282844 JK Annotated Anodyne COc1ccc2nc3c(c(O)c2c1)/C(=N/CCCN(C)C)C[C@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000101292222 JK Annotated Mild COc1ccc2nc3c(c(O)c2c1)/C(=N/CCCN(C)C)C[C@@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000101292228 JK Annotated Mild CCC(CC)/N=C1\C=C(C2=C/C(=N/C(CC)CC)[C@@H]3C=CC=C[C@@H]3C2=O)C(=O)c2ccccc21 ZINC000101303260 JK Annotated Mild CCC(CC)/N=C1\C=C(C2=C/C(=N/C(CC)CC)[C@H]3C=CC=C[C@@H]3C2=O)C(=O)c2ccccc21 ZINC000101303262 JK Annotated Mild CCC(CC)/N=C1\C=C(C2=C/C(=N/C(CC)CC)[C@@H]3C=CC=C[C@H]3C2=O)C(=O)c2ccccc21 ZINC000101303267 JK Annotated Mild CCC(CC)/N=C1\C=C(C2=C/C(=N/C(CC)CC)[C@H]3C=CC=C[C@H]3C2=O)C(=O)c2ccccc21 ZINC000101303275 JK Annotated Mild O=C1CC(c2ccccc2)(c2ccccc2)OC(O)=C1Sc1ccccc1C1CCCCC1 ZINC000101313142 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000101320533 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000101320535 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000101320540 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000101320543 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101321021 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101321022 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101321024 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101321027 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]23C(=O)O ZINC000101329717 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]34C(=O)O)cc1 ZINC000101331314 JK Annotated Mild CCCCCCC(=O)OCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 ZINC000101332193 JK Annotated Bother CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000101333107 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000101333110 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000101333113 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000101333115 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000101335640 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000101335644 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000101335647 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000101335650 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101335873 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101335880 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000101335884 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000101337732 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000101337736 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000101337740 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000101337744 JK Annotated Mild Cc1cccc(Nc2ns/c(=N\C(S)=N\c3ccc(Cl)cc3)n2-c2cccc(C)c2)c1 ZINC000101339499 JK Annotated Mild CCCC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000101340597 JK Annotated Reactive CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000101340726 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000101340733 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000101340738 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000101340742 JK Annotated Mild CCCNC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000101341520 JK Annotated Reactive CCOC(=O)NC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000101343374 JK Annotated Reactive CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000101349919 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000101349930 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000101349933 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000101357501 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000101357503 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000101357507 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000101357510 JK Annotated Mild Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C(C)(C)C)cc2)C3)n1C ZINC000101368785 JK Annotated Anodyne [N-]=[N+]=Nc1ccc(CCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1[127I] ZINC000101370836 JK Annotated Mild [N-]=[N+]=Nc1ccc(CCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1[127I] ZINC000101370838 JK Annotated Mild [N-]=[N+]=Nc1ccc(CCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1[127I] ZINC000101370842 JK Annotated Mild [N-]=[N+]=Nc1ccc(CCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1[127I] ZINC000101370845 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCCCC(F)(F)F)[C@]13C(=O)O ZINC000101376724 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OCCCC(F)(F)F)[C@]13C(=O)O ZINC000101376727 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCCCC(F)(F)F)[C@]13C(=O)O ZINC000101376731 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OCCCC(F)(F)F)[C@]13C(=O)O ZINC000101376735 JK Annotated Mild CCCCCn1cc(C(=O)NCC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(=O)cc1-c1ccccc1 ZINC000101389750 JK Annotated Anodyne CCCCCn1cc(C(=O)NCC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(=O)cc1-c1ccccc1 ZINC000101389760 JK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCO)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101390083 JK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CC#N)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101390131 JK Annotated Mild C[C@@H]1C[C@H]2CC3=C(CC[C@H](c4cnc5c(c4)[C@@]46C[C@H](C)C[C@@H](C5)[C@H]4CCCN6)N3)[C@]3(C1)NCCC[C@H]23 ZINC000101400050 JK Annotated Anodyne N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](N(CCCC(F)(F)F)Cc2ccccc2)CC1 ZINC000101403050 JK Annotated Anodyne CC(C)=CCc1c(C)c2c3c(c1O)C(=O)C1=C([C@@H]4C=CC(C)(C)O[C@H]4C=C1O)[C@]31O[C@H](C2)C(C)(C)O1 ZINC000101404292 JK Annotated Mild O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3cccc4ccccc34)c(C(F)(F)F)nn12 ZINC000101404857 JK Annotated Anodyne O=C1c2ccccc2[C@@](O[C@@H]2CC[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000101405140 JK Annotated Bother O=C1c2ccccc2[C@](O[C@@H]2CC[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000101405145 JK Annotated Bother CC(C)=CCc1c(C)cc(O)c2c(O)c3c(cc12)[C@]1(CC=C(C)C)C[C@H](O)C(C)(C)[C@@H](C3=O)C1=O ZINC000101410260 JK Annotated Anodyne O=C(O)c1ccc(CN2C[C@H]3CCC[C@H]2[C@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1 ZINC000101413187 JK Annotated Anodyne O=C(O)c1ccc(CN2C[C@H]3CCC[C@H]2[C@@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1 ZINC000101413190 JK Annotated Anodyne Cc1cccc([C@@H]2CC[C@@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)c1 ZINC000101413288 JK Annotated Mild Cc1cccc([C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)c1 ZINC000101413290 JK Annotated Mild c1ccc2c(c1)ccc1c(CN3C[C@@H]4CC[C@@H](C3)N4Cc3cccc4c3ccc3ccccc34)cccc12 ZINC000101416999 JK Annotated Bother c1ccc2c(c1)ccc1c(CN3C[C@H]4CC[C@H](C3)N4Cc3cccc4c3ccc3ccccc34)cccc12 ZINC000101417003 JK Annotated Bother COc1ccccc1-c1ccc(/C=C2\OC(O)=C(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC ZINC000101418648 JK Annotated Mild CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2cc(-c3ccco3)ccc21 ZINC000101431588 JK Annotated Anodyne CN(CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1 ZINC000101441109 JK Annotated Anodyne CN(CC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1 ZINC000101441115 JK Annotated Anodyne CCCCCCCCCCCCC/C=C1/CCC[C@H](OCc2ccccc2)[C@H]1N(CC)CC ZINC000101445305 JK Annotated Mild COC(=O)CCCCCC[C@@H]1C=CC(=O)/C1=C/CCCCOc1ccc(Br)cc1 ZINC000101446428 JK Annotated Mild CC(C)=C(S)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4[C@H](CC[C@@H](O)C4(C)C)C[C@@H]3CC[C@]12C ZINC000101446726 JK Annotated Anodyne Cc1c2c(=O)n(-c3ccc(F)cc3)nc-2n(CC(=O)N(C)c2ccc(Cl)cc2)c2ccccc12 ZINC000101449274 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000101449575 JK Annotated Anodyne CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1Cc1c(OC(C)=O)ccc2ccc(=O)oc12 ZINC000101458322 JK Annotated Bother CCC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@@H]2C[C@](c3ccc(F)cc3)(CO2)[C@H]1C/C=C/CCCC(=O)O ZINC000101468582 JK Annotated Mild CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@]2(c3ccc(F)cc3)CO[C@@H]1C2 ZINC000101468590 JK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000101469315 JK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000101469317 JK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000101469320 JK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000101469323 JK Annotated Mild CCCOc1sc(C(=O)N2[C@H]3CC[C@H]2CC(c2cc(CN)ccc2F)C3)c(C)c1Br ZINC000101470767 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1OC ZINC000101473460 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1OC ZINC000101473464 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1OC ZINC000101473467 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1OC ZINC000101473468 JK Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@H](/C=N/Oc2ccc(F)cc2)[C@@H]2C[C@]1(c1ccc(F)cc1)CO2 ZINC000101473519 JK Annotated Mild O=C(O)CCC/C=C/C[C@H]1[C@H](/C=N/Oc2ccc(F)cc2)[C@H]2C[C@@]1(c1ccc(F)cc1)CO2 ZINC000101473523 JK Annotated Mild Cc1ccc(-n2nc(C)c3c2N=C2CC(C)(C)CC(O)=C2[C@H]3c2ccccc2OCC(=O)O)cc1 ZINC000101476518 JK Annotated Anodyne Cc1ccc(-n2nc(C)c3c2N=C2CC(C)(C)CC(O)=C2[C@@H]3c2ccccc2OCC(=O)O)cc1 ZINC000101476525 JK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000101477739 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000101477740 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000101477741 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000101477742 JK Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(=C(/O)OCC)/C(=N/c2ccccc2)C[C@@]1(C)O ZINC000101486300 JK Annotated Mild C/C(=N/c1ccc(/N=C/c2ccc(/C=N/c3ccc(/N=C(/C)N(C)C)cc3)cc2)cc1)N(C)C ZINC000101490971 JK Annotated Mild C[C@H]1[C@@]2(O)CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31CO2 ZINC000101498138 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000101498188 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@H]4C[C@@H](CN(C4)C1)[C@H]2CC3 ZINC000101498190 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000101498193 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000101498196 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(CN3CCOCC3)cs2)C2=C(O)CCCC2=N1 ZINC000101498319 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(CN3CCOCC3)cs2)C2=C(O)CCCC2=N1 ZINC000101498321 JK Annotated Anodyne CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@@]31OO2 ZINC000101499082 JK Annotated Reactive CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@]31OO2 ZINC000101499088 JK Annotated Reactive CC1(C)CC(/N=C(/O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1[O] ZINC000101499124 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCc2ccccc2Cl)[C@]13C(=O)O ZINC000101499590 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OCc2ccccc2Cl)[C@]13C(=O)O ZINC000101499592 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCc2ccccc2Cl)[C@]13C(=O)O ZINC000101499595 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OCc2ccccc2Cl)[C@]13C(=O)O ZINC000101499599 JK Annotated Mild CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000101500271 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCSC[C@H](O)[C@H]1OC(O)=C(OC)C1=O ZINC000101504028 JK Annotated Mild CCCCCCCCCCCCCCCCCCSC[C@@H](O)[C@H]1OC(O)=C(OC)C1=O ZINC000101504032 JK Annotated Mild CCCCCCCCCCCCCCCCCCSC[C@H](O)[C@@H]1OC(O)=C(OC)C1=O ZINC000101504036 JK Annotated Mild CCCCCCCCCCCCCCCCCCSC[C@@H](O)[C@@H]1OC(O)=C(OC)C1=O ZINC000101504038 JK Annotated Mild O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(N2)/C(=C/c2ccc(Cl)cc2)CCC1 ZINC000101507141 JK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(N2)/C(=C/c2ccc(Cl)cc2)CCC1 ZINC000101507144 JK Annotated Anodyne COC(=O)CC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000101509137 JK Annotated Reactive O[C@H]1/C=C\C=C/C=C\CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C1)C4)[C@@H]2CC3 ZINC000101509845 JK Annotated Anodyne O[C@@H]1/C=C\C=C/C=C\CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C4)C1)[C@@H]2CC3 ZINC000101509846 JK Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@@H]2[C@H]3C[C@@H]4[C@@H](C[C@@H](C)C[C@@H]4N(C)C3)C[C@H]2N1 ZINC000101510832 JK Annotated Anodyne COc1cc(CNC2=CC(=O)C(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)=CC2=O)ccc1O ZINC000101514536 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000101514823 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000101514825 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000101514826 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000101514827 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)[C@H](O)C(=O)C=C(C)C)c1 ZINC000101514828 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)[C@H](O)C(=O)C=C(C)C)c1 ZINC000101514831 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000101514834 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000101514836 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515033 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515043 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(C)cc1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515082 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(C)cc1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515088 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(C)cc1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515093 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(C)cc1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515100 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(Cl)cc1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515107 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(Cl)cc1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515114 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(Cl)cc1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515121 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(Cl)cc1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515127 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(F)cc1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515135 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(F)cc1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515141 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(F)cc1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515148 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(F)cc1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515154 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(OC)cc1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515188 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(OC)cc1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515194 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(OC)cc1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515200 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccc(OC)cc1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515207 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1C)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515247 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1C)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515256 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1C)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515265 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1C)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515275 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1Cl)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515283 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1Cl)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515290 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1Cl)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515296 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1Cl)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515303 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1F)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515310 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1F)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515318 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1F)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515327 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1F)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515338 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1OC)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515374 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1OC)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515382 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1OC)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515389 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1OC)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515396 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(C)c1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515435 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(C)c1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515443 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(C)c1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515450 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(C)c1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515459 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(Cl)c1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515469 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(Cl)c1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515478 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(Cl)c1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515489 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(Cl)c1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515495 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(F)c1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515503 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(F)c1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515510 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(F)c1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515516 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(F)c1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515524 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(O)c1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515531 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(O)c1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515538 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(O)c1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515545 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(O)c1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515553 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(OC)c1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515560 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(OC)c1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515566 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(OC)c1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515575 JK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(OC)c1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515582 JK Annotated Mild C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C/C=C/1 ZINC000101523062 JK Annotated Anodyne COC(=O)CCCC/C(=N\Nc1nc2ccccc2c2ccccc12)C1=C(O)CC(C)(C)CC1=O ZINC000101531484 JK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(NCCc2c[nH]c3ccccc23)C1=O ZINC000101536921 JK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NCCc2c[nH]c3ccccc23)=CC1=O ZINC000101537323 JK Annotated Mild C1=C2CCCC/C=C\C=C\CCN3CC[C@H]4[C@@H]1CN(CC/C=C\C=C/CCCCCC[C@@H]4C3)C2 ZINC000101538984 JK Annotated Anodyne CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000101541151 JK Annotated Anodyne CCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000101541164 JK Annotated Anodyne COCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000101541228 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000101542346 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)C[C@H]2Cc2ccccc2)ccc1Cl ZINC000101542351 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000101542356 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)C[C@H]2Cc2ccccc2)ccc1Cl ZINC000101542364 JK Annotated Anodyne Cc1ccc(C[C@@H]2CN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000101542392 JK Annotated Anodyne Cc1ccc(C[C@H]2CN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000101542398 JK Annotated Anodyne Cc1ccc(C[C@@H]2CN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000101542404 JK Annotated Anodyne Cc1ccc(C[C@H]2CN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000101542409 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1ccc([C@@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1 ZINC000101548014 JK Annotated Mild CN[C@@H]1CC[C@@H](N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000101549235 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)[C@H](O)C(=O)C=C(C)C)c1 ZINC000101552837 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@H](C)[C@H](O)C(=O)C=C(C)C)c1 ZINC000101552843 JK Annotated Mild Cc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O ZINC000101564200 JK Annotated Anodyne in-vitro biogenic COc1cc(CNC2=CC(=O)C=C(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)C2=O)ccc1O ZINC000101569760 JK Annotated Mild CC1=C(O)[C@@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CC(=O)N(CC(=O)O)C2)OC1=O ZINC000101575383 JK Annotated Anodyne CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)C[C@H]2Nc3ccc(Cl)cc3C(=O)[C@H]12 ZINC000101576193 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)C[C@H]2Nc3ccc(Cl)cc3C(=O)[C@H]12 ZINC000101576197 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)C[C@@H]2Nc3ccc(Cl)cc3C(=O)[C@H]12 ZINC000101576204 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)C[C@@H]2Nc3ccc(Cl)cc3C(=O)[C@H]12 ZINC000101576210 JK Annotated Mild C=C(C)CC[C@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@@H](C)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1=O ZINC000101577493 JK Annotated Mild C=C(C)CC[C@@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@@H](C)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1=O ZINC000101577498 JK Annotated Mild C=C(C)CC[C@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000101577502 JK Annotated Mild C=C(C)CC[C@@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000101577508 JK Annotated Mild Cc1nc2ccccc2n1[C@H]1C[C@H](C)N(CC[C@H](NC(=O)C2CCC2)c2ccccc2)[C@H](C)C1 ZINC000101588448 JK Annotated Anodyne C=C1C=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C(=O)N1CCC(C)C ZINC000101596003 JK Annotated Anodyne C=C1C=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@H]2OC(=O)C(C)=C2O)C(=O)N1CCC(C)C ZINC000101596007 JK Annotated Anodyne C=C1C=C(CCC/C(C)=C/C=C/[C@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C(=O)N1CCC(C)C ZINC000101601316 JK Annotated Anodyne C=C1C=C(CCC/C(C)=C/C=C/[C@H](C)CC/C=C(/C)C[C@H]2OC(=O)C(C)=C2O)C(=O)N1CCC(C)C ZINC000101601321 JK Annotated Anodyne N=C(/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccc2ccccc2c1)c1ccccn1 ZINC000101617575 JK Annotated Anodyne C=C(C)[C@H]1C[C@@]2(CC=C(C)C)CC(=O)[C@@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000101621363 JK Annotated Mild C=C(C)[C@@H]1C[C@@]2(CC=C(C)C)CC(=O)[C@@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000101621365 JK Annotated Mild C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1 ZINC000101622285 JK Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccco1 ZINC000101622290 JK Annotated Reactive CC(C)(C)[C@@H]1CC[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2ncc(C(=O)O)s2)CC1 ZINC000101622956 JK Annotated Anodyne C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](C#N)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F ZINC000101630180 JK Annotated Mild C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@@](C#N)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F ZINC000101630186 JK Annotated Mild CC(=O)/C=C\C(=O)/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000101630533 JK Annotated Mild CC1=C(O)[C@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CC(=O)N(CCC(C)C)C2)OC1=O ZINC000101630621 JK Annotated Anodyne CC[C@@H](C)CN1CC=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C1=O ZINC000101631495 JK Annotated Anodyne CC[C@H](C)CN1CC=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C1=O ZINC000101631499 JK Annotated Anodyne CC[C@@H](C)CN1CC=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@H]2OC(=O)C(C)=C2O)C1=O ZINC000101631502 JK Annotated Anodyne CC[C@H](C)CN1CC=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@H]2OC(=O)C(C)=C2O)C1=O ZINC000101631503 JK Annotated Anodyne COc1ccc(/C=C2\CCCC3=C2Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000101633632 JK Annotated Anodyne COc1ccc(/C=C2\CCCC3=C2Nc2[nH]c(=S)[nH]c(=O)c2[C@H]3c2ccc(OC)cc2)cc1 ZINC000101633634 JK Annotated Anodyne CC(C)CCC1(CCC(C)C)C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)c2ccccc21 ZINC000101636576 JK Annotated Mild Cc1ccc(S(=O)(=O)/C(=C/c2ccc(C)s2)C(=O)c2ccc(Br)cc2)cc1 ZINC000101636975 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000101637280 JK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000101637560 JK Annotated Mild CCc1ccc(/C(O)=C/C=N/c2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000101637911 JK Annotated Mild Nc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000101641417 JK Annotated Anodyne CC1=C(O)[C@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CCN(CCC(C)C)C2=O)OC1=O ZINC000101641606 JK Annotated Anodyne Cc1cc(C(=O)N[C@@H]2CC[C@@H](O)CC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 ZINC000101644122 JK Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000101645075 JK Annotated Mild CC1(C)O[C@H]2[C@@H]3C[C@H]([C@@H](OC(=O)c4ccccc4-c4ccccc4)CN3CCCc3ccccc3)[C@H]2O1 ZINC000101645518 JK Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O1)[C@@H]1C[C@@H]2N(CCCc2ccccc2)C[C@@H]1OC(=O)c1ccccc1-c1ccccc1 ZINC000101645522 JK Annotated Anodyne CC1=C(O)[C@@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CCN(CCC(C)C)C2=O)OC1=O ZINC000101645728 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC/C=C(/C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101647764 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(/C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101647767 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101647945 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101647950 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101647952 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101647955 JK Annotated Mild C[C@H]1[C@]2(O)OC[C@@]13CC[C@H]1[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]14C)[C@@H]3C[C@H]2O ZINC000101648570 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101649916 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101649919 JK Annotated Mild CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000101650061 JK Annotated Mild C=C(C)[C@@H]1OOC(C)(C)O[C@@H]1CCO[C@H]1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 ZINC000101651373 JK Annotated Reactive Cc1cccc2c(/N=N/c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c(O)[nH]c12 ZINC000101657851 JK Annotated Clean CCCCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(N)=CC3=O)n1 ZINC000101658178 JK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000101660692 JK Annotated Bother C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101661096 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101661101 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101662089 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)[C@@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101662093 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101662098 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@@H](C)[C@@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000101662105 JK Annotated Mild CN1CCC(COCc2cc(C(F)(F)F)cc(N3CC[C@H]4C[C@@H]43)n2)(c2ccc(F)cc2)CC1 ZINC000101665121 JK Annotated Anodyne COc1cc2c(c3c1C(=O)C1=C[C@@H]4C[C@H]5C(C)(C)O[C@](CC=C(C)C)(C4=O)[C@@]15O3)C(C)(C)[C@H](C)O2 ZINC000101665419 JK Annotated Mild CCOC(=O)/C(=C/Nc1cc(Br)c(OC)c(Br)c1)c1ccc(Cl)cc1 ZINC000101677480 JK Annotated Anodyne Cc1cccc2c(/N=N/c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c(O)[nH]c12 ZINC000101682018 JK Annotated Clean CC(C)=CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)C=C(O)C3(CC=C(C)C)CC=C(C)C ZINC000101682287 JK Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)NC(=O)NC45CC6CC(CC(C6)C4)C5)[C@@H]2CC[C@H]1C3 ZINC000101687230 JK Annotated Mild C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)Nc5cccc6ccccc56)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000101687256 JK Annotated Mild C=C(C)CC[C@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@H](C)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1=O ZINC000101689118 JK Annotated Mild C=C(C)CC[C@@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@H](C)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1=O ZINC000101689122 JK Annotated Mild C=C(C)CC[C@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000101689124 JK Annotated Mild C=C(C)CC[C@@]1(C=C(C)C)C(=O)C2=C(O)[C@H](C)[C@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000101689128 JK Annotated Mild CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](CC=C(C)C)C[C@@H]2C(=O)[C@@]1(C(=O)C(C)C)C(=O)C=C2O ZINC000101690717 JK Annotated Mild CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](CC=C(C)C)C[C@@H]2C(=O)[C@]1(C(=O)C(C)C)C(=O)C=C2O ZINC000101690720 JK Annotated Mild CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](CC=C(C)C)C[C@H]2C(=O)[C@@]1(C(=O)C(C)C)C(=O)C=C2O ZINC000101690725 JK Annotated Mild CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](CC=C(C)C)C[C@H]2C(=O)[C@]1(C(=O)C(C)C)C(=O)C=C2O ZINC000101690731 JK Annotated Mild CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101690846 JK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101690851 JK Annotated Anodyne CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101690857 JK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101690862 JK Annotated Anodyne CCn1c(SCC(=O)/N=N/c2c(O)[nH]c3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000101694103 JK Annotated Clean Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O ZINC000101697420 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@]1(C)C[C@H]2O[C@@]23[C@]2(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000101700157 JK Annotated Anodyne CCOC(=O)c1c(/N=C/N(C)C)sc(/C=N/Nc2ccccc2)c1-c1ccccc1Cl ZINC000101701908 JK Annotated Mild C/C(=C\C=C/[C@@H](C)[C@@]1(C)C[C@H]2O[C@@]23[C@]2(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000101708355 JK Annotated Anodyne CCCCn1c(O)c(/N=N/C(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000101708376 JK Annotated Clean O=C1[C@@H](/C=C\c2cccc(Br)c2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000101726583 JK Annotated Anodyne N#C/C(=C(/O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc2ccccc2[nH]1 ZINC000101726622 JK Annotated Reactive CCN(CC)c1ccc2cc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C(C)(C)C)C5)c(=O)oc2c1 ZINC000101727661 JK Annotated Anodyne CCN(CC)c1ccc2cc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C(C)(C)C)C5)c(=O)oc2c1 ZINC000101727663 JK Annotated Anodyne CCOC(=O)/C(=C\Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000101732631 JK Annotated Anodyne Cc1c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)oc2ccc(Br)cc12 ZINC000101739145 JK Annotated Reactive N=c1c2ccccc2ccn1CCCCCCCCCCCCn1ccc2ccccc2c1=N ZINC000101740272 JK Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000101742848 JK Annotated Clean N#C/C(=C(/O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000101749338 JK Annotated Reactive aggregator C=CCn1c(O)c(/N=N/C(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000101751741 JK Annotated Mild Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1 ZINC000101752040 JK Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccs2)nc2ccccc12 ZINC000101754045 JK Annotated Clean O=C(Cn1c(C(F)(F)F)nc2ccccc21)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000101756809 JK Annotated Clean Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 ZINC000101761704 JK Annotated Reactive O=C(CSc1nnc(SCc2cccc3ccccc23)s1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101765396 JK Annotated Clean Cc1c(/N=C(S)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c(=O)n(-c2ccccc2)n1C ZINC000101765829 JK Annotated Mild CCN(C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1)c1cccc(C)c1 ZINC000101797550 JK Annotated Anodyne COc1ccc(-c2cc(SC)nc(Nc3nc(NC(C)(C)C)nc(NC(C)(C)C)n3)n2)cc1OC ZINC000101806752 JK Annotated Anodyne CC(C)n1c(O)c(/N=N/C(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000101811152 JK Annotated Clean C[C@@H]1CC[C@H]2[C@@H](/C1=C/C[C@@H]1[C@@](C)(O)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)C(C)(C)CC[C@]2(C)O ZINC000101812634 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C ZINC000101813245 JK Annotated Mild CC1=C(CC[C@@H]2[C@@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]32C)[C@@H]2[C@H](CC1=O)[C@@](C)(O)CCC2(C)C ZINC000101831317 JK Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccco3)s1)C2 ZINC000101838988 JK Annotated Anodyne C[C@@H]1C(=O)C[C@H]2[C@@H](/C1=C/C[C@@H]1[C@@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]31C)C(C)(C)CC[C@]2(C)O ZINC000101840339 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@H](CNCCCNCCCNCCCNC[C@@H]3CC[C@@H]4CC[C@@H]3C4(C)C)[C@@H]1CC2 ZINC000101848711 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H]1[C@H](CNCCCNCCCNCCCNC[C@H]1CC[C@H]3CC[C@@H]1C3(C)C)CC2 ZINC000101848715 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H]1[C@H](CNCCCNCCCNCCCNC[C@@H]1CC[C@@H]3CC[C@@H]1C3(C)C)CC2 ZINC000101848719 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H]1[C@H](CNCCCNCCCNCCCNC[C@@H]1CC[C@H]3CC[C@@H]1C3(C)C)CC2 ZINC000101848723 JK Annotated Anodyne CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c2c1 ZINC000101851175 JK Annotated Clean CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000101852093 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000101852103 JK Annotated Mild CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)CC1 ZINC000101852458 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101854703 JK Annotated Anodyne C/C(=N\CCc1c(C)[nH]c2ccc(OCc3ccccc3)cc12)C1=C(O)C[C@@H](c2ccccc2)CC1=O ZINC000101857009 JK Annotated Mild C/C(=N\CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C(O)C[C@H](c2ccccc2)CC1=O ZINC000101857390 JK Annotated Mild COc1ccc(C2=Nc3ccccc3NC(=O)[C@@H]2N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000101864100 JK Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000101864106 JK Annotated Anodyne Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C(C)C)CC2)cc1 ZINC000101865961 JK Annotated Mild Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C(C)C)C=C[C@@]3(C)CC2)cc1 ZINC000101865964 JK Annotated Mild Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C(C)C)CC2)cc1 ZINC000101865966 JK Annotated Mild Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C(C)C)CC2)cc1 ZINC000101865969 JK Annotated Mild Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@@H]4CCN3C(=O)OCc3ccccc3)CC2)cc1 ZINC000101869234 JK Annotated Anodyne Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)[C@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)cc1 ZINC000101869242 JK Annotated Anodyne C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 ZINC000101869456 JK Annotated Reactive COc1ccc(C2=Nc3ccccc3NC(=O)[C@@H]2N(CCc2ccccc2)C(=O)c2cccs2)cc1 ZINC000101871697 JK Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(CCc2ccccc2)C(=O)c2cccs2)cc1 ZINC000101871703 JK Annotated Anodyne COc1ccccc1-c1nnc(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1 ZINC000101884542 JK Annotated Reactive Cc1cc(SCC(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c(C)cc1Br ZINC000101892226 JK Annotated Reactive CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2c1 ZINC000101892309 JK Annotated Clean CC1=C(CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)C(C)(C)N([O])C1(C)C ZINC000101898239 JK Annotated Mild CC1(C)C=C(NC(=O)N2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)C(C)(C)N1[O] ZINC000101901547 JK Annotated Mild Cc1ccccc1-n1c(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1 ZINC000101902224 JK Annotated Reactive CC1(C)CC[C@@](C)(/C=C/CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)N1[O] ZINC000101902719 JK Annotated Mild CC1(C)CC[C@](C)(/C=C/CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)N1[O] ZINC000101902724 JK Annotated Mild CC1(C)CC[C@@](C)(C#CCN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)N1[O] ZINC000101902838 JK Annotated Mild CC1(C)CC[C@](C)(C#CCN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)N1[O] ZINC000101902845 JK Annotated Mild CC1(C)C=C(CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)C(C)(C)N1[O] ZINC000101903067 JK Annotated Mild CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]21 ZINC000101904520 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]21 ZINC000101904527 JK Annotated Mild CC1(C)C=C(CN2C/C(=C\c3ccccc3F)C(=O)/C(=C/c3ccccc3F)C2)C(C)(C)N1[O] ZINC000101906281 JK Annotated Mild CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000101906345 JK Annotated Mild CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000101906352 JK Annotated Mild CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000101914673 JK Annotated Clean O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1/N=N/c1c(O)[nH]c2ccccc12 ZINC000101922762 JK Annotated Clean CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101923253 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000101923258 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101923261 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000101923264 JK Annotated Mild COc1ccccc1/N=C1\C=C(NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc2C1=O ZINC000101927979 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000101929242 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101929245 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000101929250 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101929254 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101930040 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000101930045 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101930046 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000101930049 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000101930843 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000101930847 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000101930850 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000101930853 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101930899 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000101930905 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101930909 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000101930912 JK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000101931708 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000101931712 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000101931715 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000101931721 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000101934420 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000101934423 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000101934428 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000101934435 JK Annotated Mild COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000101935296 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000101935301 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000101935306 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000101935310 JK Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000101935411 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000101935414 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000101935419 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000101935423 JK Annotated Mild CCCC/C(=N\CCc1c(C)[nH]c2ccc(OC)cc12)C1=C(O)C[C@H](c2ccccc2)CC1=O ZINC000101951026 JK Annotated Mild N#Cc1cccc([C@]23CC[C@H](N(CCNCCF)C(=O)Nc4cc(Cl)nc(Cl)c4)C[C@@H]2C3)c1 ZINC000101953632 JK Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000101953635 JK Annotated Clean Cc1c(/C=C2\S/C(=N/c3ccccc3F)N(C3CCCCC3)C2=O)c2ccccc2n1CC(N)=O ZINC000101956470 JK Annotated Mild C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccccc1-c1ccccc1 ZINC000101959707 JK Annotated Mild CC(C)(C)[C@@H]1CC[C@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC1 ZINC000101964835 JK Annotated Anodyne O=C(OC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000101965282 JK Annotated Mild CCOc1ccccc1N1CCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000101966615 JK Annotated Reactive CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 ZINC000101967701 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 ZINC000101967704 JK Annotated Anodyne CCO/N=C(\CC)C1=C(O)C[C@H](c2ccc([C@@H]3CC(=O)C(/C(CC)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000101968171 JK Annotated Mild CCO/N=C(\CC)C1=C(O)C[C@H](c2ccc([C@H]3CC(=O)C(/C(CC)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000101968175 JK Annotated Mild O=C(/C=C/c1ccccc1)OC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000101968291 JK Annotated Mild CCCCCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000101968565 JK Annotated Mild C[C@@H]1[C@@H](NC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@H]2C[C@H]1C2(C)C ZINC000101970393 JK Annotated Anodyne CCO/N=C(\C)C1=C(O)C[C@H](c2ccc([C@@H]3CC(=O)C(/C(C)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000101976257 JK Annotated Mild CCO/N=C(\C)C1=C(O)C[C@H](c2ccc([C@H]3CC(=O)C(/C(C)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000101976260 JK Annotated Mild C[C@@H]1[C@@H]2C3=CC(Nc4ccccc4)=CC[C@@H]3[C@H](Cc3ccc(Nc4ccccc4)cc32)N1CC1CC1 ZINC000101977539 JK Annotated Anodyne O=C1C(OCc2ccccc2)=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000101982575 JK Annotated Mild Cc1ccc2oc(=O)c3c(c2c1)OC(N)=C(CC#N)[C@H]3c1cc2ccccc2nc1Oc1ccccc1 ZINC000101983920 JK Annotated Mild Cc1ccc2oc(=O)c3c(c2c1)OC(N)=C(CC#N)[C@@H]3c1cc2ccccc2nc1Oc1ccccc1 ZINC000101983923 JK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)cc1 ZINC000101984634 JK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)cc1 ZINC000101984638 JK Annotated Mild CC(C)/N=C(\NC1=NC(=O)CN1c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000101986843 JK Annotated Mild N#CCC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2nc1Oc1ccccc1 ZINC000101986990 JK Annotated Mild N#CCC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2nc1Oc1ccccc1 ZINC000101986993 JK Annotated Mild Cc1ccc(Oc2nc3ccccc3cc2[C@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000101986997 JK Annotated Mild Cc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000101987001 JK Annotated Mild Cc1ccc2nc(Oc3ccccc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101991305 JK Annotated Mild Cc1ccc2nc(Oc3ccccc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101991309 JK Annotated Mild CC/N=C(\NC1=NC(=O)CN1c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000101994378 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000102000546 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000102000628 JK Annotated Mild CCc1cc(=O)c2ccc(SC(C)C)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102000998 JK Annotated Anodyne CCc1cc(=O)c2ccc(SC(C)C)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102001001 JK Annotated Anodyne CC(C)(C)N/C(=N/C1=NC(=O)CN1c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000102003700 JK Annotated Mild Clc1ccccc1[C@H]1N[C@@H](c2ccccc2Cl)[C@H]2CCC[C@H]1C2=NOCc1ccccc1 ZINC000102023020 JK Annotated Mild Clc1ccccc1[C@H]1N[C@@H](c2ccccc2Cl)[C@@H]2CCC[C@@H]1C2=NOCc1ccccc1 ZINC000102023025 JK Annotated Mild C[C@@H]1[C@@H]2C3=CC(NCc4ccccc4)=CC[C@@H]3[C@H](Cc3ccc(NCc4ccccc4)cc32)N1C ZINC000102023835 JK Annotated Anodyne CCn1c(SCC(=O)/N=N\c2c(O)[nH]c3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000102030951 JK Annotated Clean CC1=NN(C(=O)c2sc3ccccc3c2Cl)C(=O)/C1=N/Nc1cc(Cl)ccc1Cl ZINC000102038730 JK Annotated Mild CCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000102058464 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@@H]12 ZINC000102058656 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@H]12 ZINC000102058663 JK Annotated Mild CC(C)=CCC1=C(O)[C@@]2(C(=O)C(C)C)C(=O)[C@]3(C[C@@H](C(C)(C)O)O[C@H]13)C[C@H](CC=C(C)C)C2(C)C ZINC000102061874 JK Annotated Anodyne CC(C)=CCC1=C(O)[C@@]2(C(=O)C(C)C)C(=O)[C@]3(C[C@@H](C(C)(C)O)O[C@@H]13)C[C@H](CC=C(C)C)C2(C)C ZINC000102061879 JK Annotated Anodyne CCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C ZINC000102068683 JK Annotated Mild N=c1c2c(-c3ccccc3)cn(-c3ccc(Cl)c(Cl)c3)c2[nH]c(=S)n1-c1ccccc1 ZINC000102073666 JK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCCC ZINC000102074384 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC ZINC000102079920 JK Annotated Mild O[C@@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C/C=C\CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000102084752 JK Annotated Anodyne C1=C\CCCCCC[C@@H]2CN3CC/C=C/C=C\CCCCc4cc(c[n+](c4)CC\C=C/1)[C@@H]2CC3 ZINC000102097612 JK Annotated Anodyne CCCC1=C(OC)C(CCC)(CCC)C(=O)/C(=C(O)\C=C\c2ccc(Br)cc2)C1=O ZINC000102119231 JK Annotated Mild N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2[nH]c(=S)n1-c1ccccc1 ZINC000102131161 JK Annotated Anodyne C=C1[C@@H](OC(=O)c2ccco2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102152973 JK Annotated Mild CCCCCCOCCC12C[C@@H]3C[C@@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102155669 JK Annotated Bother CCCCCCOCCC12C[C@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102155676 JK Annotated Bother CCC(C)(C)C[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000102180405 JK Annotated Mild CCC(C)(C)C[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000102180408 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000102181992 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000102181996 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000102181999 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000102182002 JK Annotated Mild CC[C@@](C)(CC[C@@H](C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C)CC[C@@H](C)[C@@H]1CC[C@H](C)C(C)(C)C1 ZINC000102191928 JK Annotated Anodyne CC[C@](C)(CC[C@@H](C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C)CC[C@@H](C)[C@@H]1CC[C@H](C)C(C)(C)C1 ZINC000102191931 JK Annotated Anodyne CC[C@@](C)(CC[C@H](C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C)CC[C@@H](C)[C@@H]1CC[C@H](C)C(C)(C)C1 ZINC000102191936 JK Annotated Anodyne CC[C@](C)(CC[C@H](C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C)CC[C@@H](C)[C@@H]1CC[C@H](C)C(C)(C)C1 ZINC000102191941 JK Annotated Anodyne CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)C ZINC000102192328 JK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccs3)c1)C1CC1)CCCCCC2 ZINC000102194427 JK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccs3)c1)C1CC1)CCCCCC2 ZINC000102194431 JK Annotated Anodyne CCOC(=O)/C(=C\Nc1cc(Br)c(OC)c(Br)c1)c1ccc(OC)cc1 ZINC000102215830 JK Annotated Anodyne CCCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000102216012 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000102216019 JK Annotated Mild COc1ccc(-c2cs/c(=N/c3ccc4oc(=O)ccc4c3)n2-c2ccc(Cl)cc2)cc1 ZINC000102221338 JK Annotated Anodyne C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]2O[C@@]12C ZINC000102229618 JK Annotated Anodyne N=c1c2c(ccn1CCCCc1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000102256788 JK Annotated Anodyne N=c1c2c(ccn1CCCCc1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000102256793 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@@H](CC(=O)NCCc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000102257677 JK Annotated Anodyne COc1ccc(-c2cc(-c3nnc(COC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)o3)c3ccccc3n2)cc1OC ZINC000102266315 JK Annotated Anodyne S=C1N=C(c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C[C@@H](c2cc3ccccc3o2)N1 ZINC000102269148 JK Annotated Anodyne S=C1N=C(c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C[C@H](c2cc3ccccc3o2)N1 ZINC000102269153 JK Annotated Anodyne COC(=O)/C=C1\C(C(C)=O)=CC=C2[C@@]1(C)CC[C@]1(C)[C@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@@]21C ZINC000102303787 JK Annotated Mild COC(=O)/C=C1\C(C(C)=O)=CC=C2[C@@]1(C)CC[C@]1(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@@]21C ZINC000102303789 JK Annotated Mild COc1cccc([C@H]2c3c(ncn(-c4ccccc4OC)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102313892 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccc4Cl)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102314703 JK Annotated Anodyne COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000102316603 JK Annotated Mild C[C@@]12C=C(/C=C/c3ccc(C(F)(F)F)cc3)[C@](C)(C1)[C@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000102344613 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccc4SC)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102373435 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4cccc(Cl)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102375020 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccc5c(c4)OCO5)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102376291 JK Annotated Anodyne CC(/C=C(\NC(=O)c1ccccc1)C(=O)/N=N\c1c(O)[nH]c2ccc(C)cc12)=C\c1ccccc1 ZINC000102390200 JK Annotated Clean ON=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000102399626 JK Annotated Mild ON=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000102399630 JK Annotated Mild Cc1ccc(C(=O)/C=C/C2=C/C(=C/NC(C)(C)C)C(=O)c3ccc4c(C)cc(=O)oc4c32)cc1 ZINC000102410740 JK Annotated Mild COc1ccc(C(=O)/C=C/C2=C/C(=C/NC(C)(C)C)C(=O)c3ccc4c(C)cc(=O)oc4c32)cc1 ZINC000102411632 JK Annotated Mild COc1ccc(C(=O)/C=C/C2=C/C(=C/NC(C)C)C(=O)c3ccc4c(C)cc(=O)oc4c32)cc1 ZINC000102411766 JK Annotated Mild Cc1ccc(C(=O)/C=C/C2=C/C(=C/NC(C)C)C(=O)c3ccc4c(C)cc(=O)oc4c32)c(C)c1 ZINC000102411821 JK Annotated Mild O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1)c1ccncc1 ZINC000102413796 JK Annotated Reactive O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1)c1ccncc1 ZINC000102413798 JK Annotated Reactive CCCCN/C=C1/C=C(/C=C/C(=O)c2ccc(OC)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102414004 JK Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)(C)C)C=C3/C=C/C(=O)c1ccc(O)cc1 ZINC000102414754 JK Annotated Mild O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1)c1ccncc1 ZINC000102415030 JK Annotated Reactive O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1)c1ccncc1 ZINC000102415034 JK Annotated Reactive CCc1ccc(/C(O)=C/C=N\c2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000102416498 JK Annotated Mild COc1ccc(/N=N\c2nc3cc(Br)c(Br)cc3n2C)c(OC)c1 ZINC000102417653 JK Annotated Clean Cc1ccc(C(=O)/C=C/C2=C/C(=C/NC(C)(C)C)C(=O)c3ccc4c(C)cc(=O)oc4c32)c(C)c1 ZINC000102419216 JK Annotated Mild CCCCN/C=C1/C=C(/C=C/C(=O)c2ccc(O)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102419838 JK Annotated Mild CCCCN/C=C1/C=C(/C=C/C(=O)c2ccc(C)cc2C)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102431677 JK Annotated Mild CCCCN/C=C1/C=C(/C=C/C(=O)c2ccc(C)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102432523 JK Annotated Mild O=C(/N=N\c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccc3ccccc23)[nH]n1 ZINC000102441726 JK Annotated Clean COc1ccc(-n2cnc3c(c2=N)[C@H](c2cccc(OC)c2)c2c(ccc4ccccc24)O3)cc1 ZINC000102458845 JK Annotated Anodyne CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)c2c1 ZINC000102488017 JK Annotated Clean C[C@@]12C[C@](C)(C=C1/C=C/c1ccc(Br)cc1)C(=O)C[C@H]2c1ccc(Br)cc1 ZINC000102499276 JK Annotated Anodyne C[C@@]12C=C(/C=C/c3ccc(Br)cc3)[C@](C)(C1)[C@H](c1ccc(Br)cc1)CC2=O ZINC000102499279 JK Annotated Anodyne COc1ccc([C@H]2c3c(ncn(CCc4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000102500872 JK Annotated Anodyne C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(/C#N)c1nc2ccccc2[nH]1 ZINC000102517433 JK Annotated Reactive aggregator OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2cn(-c3ccccc3)nc2-c2cccs2)CCC1 ZINC000102537606 JK Annotated Anodyne OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2cn(-c3ccccc3)nc2-c2cccs2)CCC1 ZINC000102537611 JK Annotated Anodyne O=C(CCCCCNC(=O)c1ccccc1Br)/N=N\c1c(O)[nH]c2ccccc12 ZINC000102560842 JK Annotated Clean CC(=O)N[C@@H](/N=C(/S)Nc1ccc(/N=N\c2ccccc2C)cc1C)C(Cl)(Cl)Cl ZINC000102566745 JK Annotated Mild COc1cccc([C@H]2c3c(ncn(-c4ccc(NC(C)=O)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102569482 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(Cc4cccs4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102572577 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccc(C(C)(C)C)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102574383 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccc(C#N)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102577114 JK Annotated Mild COc1cccc([C@H]2c3c(ncn(-c4ccccc4C(C)(C)C)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102596701 JK Annotated Anodyne CO/C(O)=C1\CSC\C1=N\c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000102599939 JK Annotated Mild CCOc1ccc([C@H]2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1OCC ZINC000102600432 JK Annotated Anodyne CC(=O)C(/N=N\c1ccccc1)(Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(C)=O ZINC000102622655 JK Annotated Clean COc1ccc([C@H]2C=CCN(C(=O)C3CCCCC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102642907 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4cccc(OC)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102669352 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccsc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000102673375 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccsc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000102673376 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccsc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000102673377 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccsc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000102673379 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1OC ZINC000102698158 JK Annotated Anodyne CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 ZINC000102698665 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000102708890 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000102708896 JK Annotated Mild COc1cccc([C@@H]2c3c(ncn(-c4cccc(C#N)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102711218 JK Annotated Mild COc1cccc([C@H]2c3c(ncn(-c4ccccc4C#N)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102736424 JK Annotated Mild Cc1c(/N=C(S)\N=N/c2c(O)[nH]c3ccc(Br)cc23)c(=O)n(-c2ccccc2)n1C ZINC000102749572 JK Annotated Mild N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccc2c(c1)OCCO2 ZINC000102758139 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)CC(C)(C)C)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102761360 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000102763024 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000102763025 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000102763027 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000102763030 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 ZINC000102773783 JK Annotated Reactive CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 ZINC000102773785 JK Annotated Reactive C=C(C)[C@@H]1OC(=O)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]56CC[C@@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]12 ZINC000102779017 JK Annotated Mild COC(=O)[C@H](c1ccc([125I])cc1)[C@H]1CCCCN1Cc1ccc(N=[N+]=[N-])cc1 ZINC000102780077 JK Annotated Mild CSC1=N/C(=N/c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(Cl)cc1 ZINC000102792104 JK Annotated Mild O=C(Nc1ccccc1Sc1ccccc1)c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F ZINC000102796952 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](c3ccsc3)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000102797776 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@](c3ccsc3)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000102797780 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102800443 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102800446 JK Annotated Anodyne O=C1CCCC2=C1[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000102804282 JK Annotated Mild O=C1CCCC2=C1[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000102804285 JK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccccc2)cc1)[C@@H]1C(=O)C[C@@](C)(C2OCC(C)(C)CO2)OC1=O ZINC000102810285 JK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccccc2)cc1)[C@H]1C(=O)C[C@@](C)(C2OCC(C)(C)CO2)OC1=O ZINC000102810287 JK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccccc2)cc1)[C@@H]1C(=O)C[C@](C)(C2OCC(C)(C)CO2)OC1=O ZINC000102810289 JK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccccc2)cc1)[C@H]1C(=O)C[C@](C)(C2OCC(C)(C)CO2)OC1=O ZINC000102810291 JK Annotated Mild CCC1=C(O)c2c(oc(-c3csc4ccc(Br)cc34)cc2=O)C(CC)(CC)C1=O ZINC000102810300 JK Annotated Mild CC1(C)COC2(CCC(N[C@@H]3CC[C@@H](Nc4ccnc5cc(C(F)(F)F)ccc45)CC3)CC2)OO1 ZINC000102810560 JK Annotated Reactive CCC1=C(O)c2c(oc(-c3cccc4ccccc34)c(Br)c2=O)C(CC)(CC)C1=O ZINC000102815687 JK Annotated Mild CCC1=C(O)c2c(oc(-c3ccc4c(c3)c3ccccc3n4CC)cc2=O)C(CC)(CC)C1=O ZINC000102819191 JK Annotated Mild c1ccc2/c(=N/CCCCCCCC/N=c3\c4ccccc4nc4n3CCC4)n3c(nc2c1)CCC3 ZINC000102820048 JK Annotated Anodyne CCCC1=C(OCCC(C)C)C(CCC)(CCC)C(=O)/C(=C(O)\C=C\c2ccccc2)C1=O ZINC000102820493 JK Annotated Mild CCCC1(CCC)C(=O)[C@@](CC=C(C)C)(CCC)C(=O)C(C(=O)/C=C/c2ccccc2)=C1O ZINC000102820496 JK Annotated Mild CCCC1(CCC)C(=O)[C@](CC=C(C)C)(CCC)C(=O)C(C(=O)/C=C/c2ccccc2)=C1O ZINC000102820499 JK Annotated Mild COC1=C(CCC(C)C)C(=O)/C(=C(O)/C=C/c2ccccc2)C(=O)C1(CCC(C)C)CCC(C)C ZINC000102820894 JK Annotated Mild COC1=C(CC=C(C)C)C(=O)/C(=C(O)/C=C/c2ccccc2)C(=O)C1(CC=C(C)C)CC=C(C)C ZINC000102821301 JK Annotated Mild CC(C)(C)CC[C@@]1(C)C(=O)C(C2=NCc3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 ZINC000102823177 JK Annotated Mild CC(C)(C)CC[C@@]1(C)C(=O)/C(=C2/C=Cc3cc(NS(C)(=O)=O)ccc3N2)C(=O)c2ccccc21 ZINC000102823735 JK Annotated Mild CC1=C/C(=C2\C(=O)c3ccccc3[C@@](C)(CCC(C)(C)C)C2=O)Nc2ccc(NS(C)(=O)=O)cc21 ZINC000102824826 JK Annotated Mild COc1ccc(C(=O)c2c3n(c(=N)c4c(Cl)c(C#N)c(Cl)c(Cl)c24)CCCN3)cc1 ZINC000102826253 JK Annotated Mild N#Cc1c(Cl)c(Cl)c2c(C(=O)c3ccc(Cl)cc3)c3n(c(=N)c2c1Cl)CCCN3 ZINC000102826572 JK Annotated Mild Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 ZINC000102833189 JK Annotated Clean Cc1ccc(-c2n[nH]c3nc4nc(-c5ccccc5)cc(-c5ccc(Cl)cc5)c4c(=O)n23)cc1 ZINC000102836113 JK Annotated Anodyne O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH]nc(SCc3ccccc3)n12 ZINC000102840801 JK Annotated Anodyne N#Cc1c(Cl)c(Cl)c2c(C(=O)c3ccc(Cl)cc3)c3n(c(=N)c2c1Cl)CCN3 ZINC000102843879 JK Annotated Mild CC1(C)C(Br)=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)C(C)(C)N1[O] ZINC000102844487 JK Annotated Anodyne CO[C@@H]1C(O)=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CCC(=O)[C@@]3(C)CO)[C@@H]12 ZINC000102845313 JK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000102845971 JK Annotated Mild Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000102845972 JK Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@](c3ccsc3)(C2)Oc2cc(-c3ccccc3)oc(=O)c21 ZINC000102847396 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](c3ccsc3)(C2)Oc2cc(-c3ccccc3)oc(=O)c21 ZINC000102847399 JK Annotated Anodyne N#C/C(=C(\O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000102853611 JK Annotated Reactive COC(=O)[C@]1(Cc2ccccc2-c2ccco2)C=C[C@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000102856972 JK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@H]3CCN2C(=S)NCCc2ccccc2)cc1 ZINC000102868817 JK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@@H]2C[C@@H]3CCN2C(=S)NCCc2ccccc2)cc1 ZINC000102868820 JK Annotated Anodyne CCCCC[C@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2 ZINC000102871789 JK Annotated Anodyne CCCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2 ZINC000102871792 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3cc(C#N)ccc3[C@H]2O1 ZINC000102876702 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)O[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3cc(C#N)ccc3[C@@H]2O1 ZINC000102876705 JK Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@](c3ccsc3)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000102877343 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](c3ccsc3)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000102877348 JK Annotated Anodyne CCc1ccc(/C(O)=C\C=N/c2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000102877657 JK Annotated Mild CCc1ccc(/C(O)=C\C=N\c2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000102877662 JK Annotated Mild COc1ccc(NC(=S)N2CC[C@@H]3C[C@@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)c(OC)c1 ZINC000102882970 JK Annotated Anodyne COc1ccc(NC(=S)N2CC[C@H]3C[C@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)c(OC)c1 ZINC000102882972 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3ccccc3[C@H]2O1 ZINC000102887397 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)O[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3ccccc3[C@@H]2O1 ZINC000102887398 JK Annotated Mild COc1ccc([C@@]23Cc4ccccc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000102891830 JK Annotated Anodyne COc1ccc([C@]23Cc4ccccc4[C@@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000102891837 JK Annotated Anodyne O=C1CC(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)=Nc2cnn(Cc3ccccc3)c2N1 ZINC000102894263 JK Annotated Anodyne Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102898439 JK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3CCC[C@@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102898440 JK Annotated Mild Cc1c(C(=O)OC/C(O)=C(/C#N)c2nc3ccccc3[nH]2)oc2ccc(Br)cc12 ZINC000102900928 JK Annotated Reactive CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000102901655 JK Annotated Mild CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000102901656 JK Annotated Mild N#Cc1ccc(N/C(=N\c2ccccc2Br)N(C2CCCCC2)C2CCCCC2)c(O)c1 ZINC000102902257 JK Annotated Mild CC/C=C/[C@H]1C/C=C/C=C\[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000102905335 JK Annotated Anodyne c1ccc(-c2csc(NN=C3[C@@H]4CCC[C@@H]3[C@H](c3ccccc3)N[C@@H]4c3ccccc3)n2)cc1 ZINC000102906605 JK Annotated Mild c1ccc(-c2csc(NN=C3[C@H]4CCC[C@H]3[C@H](c3ccccc3)N[C@@H]4c3ccccc3)n2)cc1 ZINC000102906609 JK Annotated Mild COC(=O)[C@@]12CCC(C)=C(/C=C\C3=C(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]1CC(C)(C)CC2 ZINC000102907548 JK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1N(C(=O)c1ccnc2ccccc12)c1ccccc1 ZINC000102908684 JK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccccc2)[C@@H]1N(C(=O)c1ccnc2ccccc12)c1ccccc1 ZINC000102908686 JK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)[C@H]1N(C(=O)c1ccc2ccccc2c1)C1CC1 ZINC000102910153 JK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)[C@@H]1N(C(=O)c1ccc2ccccc2c1)C1CC1 ZINC000102910155 JK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000102913726 JK Annotated Anodyne O=c1[nH]c2c(-c3nc(-c4ccc(F)cc4)cs3)c(O)cn2c2ccc(Br)cc12 ZINC000102914331 JK Annotated Anodyne CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000102915539 JK Annotated Reactive CC1=NN(c2cccc(Cl)c2)C(=N/c2nc3ccccc3s2)/C1=C\C=C\c1ccccc1 ZINC000102915836 JK Annotated Mild Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000102916124 JK Annotated Anodyne COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C/CCCCBr)OCO2 ZINC000102918208 JK Annotated Reactive COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000102918790 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)cc1 ZINC000102918795 JK Annotated Anodyne Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@H](C(=O)/C=C\c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102919818 JK Annotated Mild Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@@H](C(=O)/C=C\c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102919819 JK Annotated Mild CCOc1cc(/C=C2/C(C)=NN(c3cccc(Cl)c3)/C2=N/c2nc3ccccc3s2)ccc1O ZINC000102922574 JK Annotated Mild CC(C)CCN(Cc1ccc(CC(=O)O)cc1-c1ccc(F)cc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000102928438 JK Annotated Anodyne CC1=CC(=O)[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]45C[C@]24[C@@H]1C[C@H]1C(C)(C)OC(=C(C(C)C)C3=O)[C@]14O5 ZINC000102928853 JK Annotated Mild CCN1CC2=C(N=C3SC=C(C)N3[C@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1 ZINC000102929143 JK Annotated Anodyne CCN1CC2=C(N=C3SC=C(C)N3[C@@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1 ZINC000102929146 JK Annotated Anodyne O=c1[nH]cccc1-c1c(-c2nc3ccccc3[nH]2)n(Cc2ccc(F)cc2F)c2ccc(Cl)cc12 ZINC000102930727 JK Annotated Anodyne O=C1C=C(c2ccccc2)N[C@]1(c1ccccc1)c1cc(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000102934709 JK Annotated Mild O=C1C=C(c2ccccc2)N[C@@]1(c1ccccc1)c1cc(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000102934713 JK Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C1\SC(c2ccccc2)(c2ccccc2)c2ccccc21 ZINC000102935153 JK Annotated Clean O=C1C[C@@H](CC(=O)c2ccc(Br)cc2)C(O)=C1C(=O)c1ccc(Br)cc1 ZINC000102936290 JK Annotated Mild O=C1C[C@H](CC(=O)c2ccc(Br)cc2)C(O)=C1C(=O)c1ccc(Br)cc1 ZINC000102936292 JK Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)[C@H](N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1nnc3ccccc31)C2 ZINC000102937108 JK Annotated Anodyne O=C1CCCCCCCCCCC(=O)[C@H]2CCOCCOCCOCC[C@H]1Cc1cccc(n1)C2 ZINC000102939308 JK Annotated Anodyne O=C1CCCCCCCCCCC(=O)[C@@H]2CCOCCOCCOCC[C@@H]1Cc1cccc(n1)C2 ZINC000102939311 JK Annotated Anodyne N#Cc1c(-c2ccccc2)c(/C=N/c2cccc(C(F)(F)F)c2)c(=O)n2c1[nH]c1ccccc12 ZINC000102939438 JK Annotated Mild CC(=O)[C@]1(O)C[C@@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000102939563 JK Annotated Anodyne CC(=O)[C@@]1(O)C[C@@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000102939564 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000102940137 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)cc1 ZINC000102940141 JK Annotated Anodyne COc1ccc(/C=C2/C(C)=NN(c3cccc(Cl)c3)/C2=N/c2nc3ccccc3s2)cc1 ZINC000102940327 JK Annotated Mild CC(C)=CCC[C@@H](C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2I)C1=O ZINC000102940660 JK Annotated Mild CC1(C)CCC2=C(O1)c1c(c3c(c4c1OC(C)(C)CC4)OC(C)(C)CC3)O/C2=C1/C=CC(O)=CC1=O ZINC000102941180 JK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5cccc(C)c5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000102941550 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5cccc(C)c45)[C@@H]3C2=O)cc1 ZINC000102941552 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@@H]2[C@@H]1[C@@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@@H]2O1 ZINC000102941820 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](c5ccccc5)CC[C@@H]4c4c([nH]c5ccc(F)cc45)[C@@H]3C2=O)cc1 ZINC000102942415 JK Annotated Anodyne O=C1[C@H]2[C@H]3CCCCCCCCCC[C@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 ZINC000102942629 JK Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCCCCCC[C@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000102942630 JK Annotated Anodyne Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(/N=N/c4cccc(C(F)(F)F)c4)c(=O)n3c2cc1C ZINC000102942676 JK Annotated Mild COc1cc(/C=C2\CC[C@H](C)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000102943188 JK Annotated Mild COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](c5ccccc5)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000102943687 JK Annotated Anodyne CC(C)=CCc1c(O)c(C(=O)/C=C/c2ccccc2)c2c3c1O[C@]1(C)CC[C@@H]([C@@H]3C1)C(C)(C)O2 ZINC000102943711 JK Annotated Mild CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O ZINC000102943816 JK Annotated Mild COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(C(C)(F)F)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945330 JK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(C#N)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945332 JK Annotated Mild CCCC(=O)O[C@H]1C/C=C(/C)C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(=O)CCC)[C@@H]24)[C@@H](C)CO[C@@]13C ZINC000102945528 JK Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\C[C@@H](OC(=O)CCC)[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000102945530 JK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)c(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945771 JK Annotated Anodyne Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(/C=N/c4cccc(C(F)(F)F)c4)c(=O)n3c2cc1C ZINC000102946361 JK Annotated Mild COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1 ZINC000102946689 JK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102947254 JK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(CF)cc2-3)ccc1-n1cnc(C)c1 ZINC000102947256 JK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4cc(F)ccc4F)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102949304 JK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4cc(F)cc(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102949307 JK Annotated Anodyne O=[P@]1(Oc2ccccc2)N=P(c2ccccc2)(c2ccccc2)C=C(c2ccc(Cl)cc2)N1 ZINC000102950784 JK Annotated Reactive Cc1cccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)c1 ZINC000102951627 JK Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1c3ccc(C(C)=O)c4cccc(c34)[C@H]12 ZINC000102954055 JK Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1c3cccc4c(C(C)=O)ccc(c34)[C@H]12 ZINC000102954058 JK Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1c3ccc(C(C)=O)c4cccc(c34)[C@H]12 ZINC000102954061 JK Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1c3ccc(C(C)=O)c4cccc(c34)[C@@H]12 ZINC000102954064 JK Annotated Anodyne CCn1c2c(c3ccccc31)[C@@H](c1ccc(Cl)cc1)C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000102955264 JK Annotated Anodyne CCn1c2c(c3ccccc31)[C@@H](c1ccc(Cl)cc1)C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000102955267 JK Annotated Anodyne CCn1c2c(c3ccccc31)[C@@H](c1ccc(Cl)cc1)C[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000102955269 JK Annotated Anodyne COC(=O)C1=C2SCc3cccc(c3)CSC3=C(C(=O)OC)S/C(=C(\S2)S1)S3 ZINC000102956397 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](N/C(Sc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])C2 ZINC000102958325 JK Annotated Anodyne O=C1/C(=C/c2ccncc2)[C@@H](n2cccc2)c2c(Br)sc(Br)c21 ZINC000102960325 JK Annotated Mild Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(/C=N/c4ccc(Cl)cc4)c(=O)n3c2cc1C ZINC000102961710 JK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C1/[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000102962519 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C1/[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000102962524 JK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=C(O)c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4 ZINC000102966352 JK Annotated Mild O=C(CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N/c2ccccc2Cl)C1=O)Nc1ccccc1Cl ZINC000102970134 JK Annotated Clean O=C(CC(=O)N1N=C(c2ccccc2)[C@H](/N=N/c2ccccc2Cl)C1=O)Nc1ccccc1Cl ZINC000102970137 JK Annotated Clean CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(Cl)cc4Cl)c(=O)c3=O)ccc21 ZINC000102977137 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC(C)(C)CC(C)(C)[C@H]4[C@H]3C2=O)cc1 ZINC000102979982 JK Annotated Anodyne CC1=C2[C@H](c3ccccc3)[C@@H]3C=C[C@@]2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000102980224 JK Annotated Anodyne CC1=C2[C@H](c3ccccc3)[C@H]3C=C[C@]2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000102980229 JK Annotated Anodyne S=C(/C=C1\SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1)Nc1ccccc1 ZINC000102981138 JK Annotated Mild COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1 ZINC000102981184 JK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)c1 ZINC000102981189 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000102984076 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](c5ccccc5)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)cc1 ZINC000102984080 JK Annotated Anodyne O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Nc1cccc2cccnc12)SCc1ccccc1 ZINC000102985094 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4CCCCCCCCCC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000102985849 JK Annotated Anodyne COC(=O)C[P@]1(=O)O[C@H]2[C@@H]([C@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102986456 JK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=N/c2nc3ccccc3s2)/C1=C\c1ccc(Cl)cc1 ZINC000102986625 JK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(F)cc3)=C(C(=O)/C=C/c3ccc(F)cc3)[C@H](c3ccccc3)N12 ZINC000102988543 JK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(F)cc3)=C(C(=O)/C=C/c3ccc(F)cc3)[C@@H](c3ccccc3)N12 ZINC000102988546 JK Annotated Mild COc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C(/C=C/c3ccccc3)N=C3SC=C(C)N32)cc1 ZINC000102989281 JK Annotated Mild COc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(/C=C/c3ccccc3)N=C3SC=C(C)N32)cc1 ZINC000102989284 JK Annotated Mild CO/N=C1/c2cc(OC)ccc2-c2c(Nc3ccc(/C(C)=N/OC)cc3)nc3ccccc3c21 ZINC000102989621 JK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)[C@@H]2CC[C@@H](O)CC2)CC1 ZINC000102990430 JK Annotated Reactive C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)CC2CCOCC2)CC1 ZINC000102990435 JK Annotated Reactive C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)c2ccncc2)CC1 ZINC000102990449 JK Annotated Reactive CO/N=C1/c2cc(OC)ccc2-c2c(Nc3cccc(/C(C)=N/OC)c3)nc3ccccc3c21 ZINC000102991302 JK Annotated Mild CCOc1cc([C@H]2N[C@H](c3ccc(O)c(OCC)c3)[C@H]3CC(C(C)(C)CC)C[C@H]2C3=O)ccc1O ZINC000102995682 JK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@@H]2c1cc(OC)ccc1OC ZINC000102997133 JK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@@H]2c1ccc(OC)c(OC)c1 ZINC000102997141 JK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@@H]2c1ccc(O)c(OC)c1 ZINC000102997157 JK Annotated Anodyne CC1=CSC2=NC(/C=C/c3ccccc3)=C(C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)N12 ZINC000103005768 JK Annotated Mild CC1=CSC2=NC(/C=C/c3ccccc3)=C(C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)N12 ZINC000103005770 JK Annotated Mild CC1=CSC2=NC(/C=C/c3ccccc3)=C(C(=O)/C=C/c3ccccc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000103006689 JK Annotated Mild CC1=CSC2=NC(/C=C/c3ccccc3)=C(C(=O)/C=C/c3ccccc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000103006693 JK Annotated Mild CCCc1ccc(-c2ccc(NC3=C(Br)C(=O)c4nc(C)ccc4C3=O)cc2)cc1 ZINC000103007208 JK Annotated Mild O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Nc1cccc2cccnc12)n1nnc2ccccc21 ZINC000103009565 JK Annotated Anodyne COC(=O)C1=C2SCc3ccc(cc3)CSC3=C(C(=O)OC)S/C(=C(\S2)S1)S3 ZINC000103012837 JK Annotated Anodyne C1=C\CCCCN2CC[C@H]3[C@H](CC/C=C/CCCCCCCCN4C[C@@H](CCCC/1)C[C@@H]3C4)C2 ZINC000103013835 JK Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1cc3ccccc3cc12 ZINC000103015194 JK Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)O[C@]1(c1ccccc1)c1cc3ccccc3cc12 ZINC000103015196 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@H]3C(=O)Nc4ccc(Br)cc43)n2)cc1 ZINC000103017426 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@H]3C(=O)Nc4ccc(Br)cc43)n2)cc1 ZINC000103018925 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@H]3C(=O)Nc4ccc(Cl)cc43)n2)cc1 ZINC000103019232 JK Annotated Anodyne O=C(O)CN1C(=O)[C@H](n2nc(-c3ccc4ccccc4c3)cc2-c2ccc(Cl)cc2)c2ccccc21 ZINC000103019540 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc4ccccc4c3)nn2[C@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103021058 JK Annotated Anodyne CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(NCCCC(=O)OC(C)(C)C)C1=O ZINC000103026907 JK Annotated Mild CCCCCCC[C@H]1C[C@H]2CCC3=C(C(=O)OCCCCNC(=N)N)C(CCCCC)=NC(=N1)N32 ZINC000103029865 JK Annotated Mild Cc1cc(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)cc(C)c4C[C@@H]3CC(C)(C)/C=C/C[C@@]1(C)C2 ZINC000103032496 JK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1N(Cc1ccc(F)cc1)C(=O)c1cccnc1 ZINC000103043833 JK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccccc2)[C@@H]1N(Cc1ccc(F)cc1)C(=O)c1cccnc1 ZINC000103043836 JK Annotated Anodyne O=C(NC1CCCC1)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000103046931 JK Annotated Anodyne O=C(NC1CCCC1)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000103046936 JK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000103047162 JK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000103047164 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(N3Cc4ccccc4-n4nncc4C3)ccc12 ZINC000103050217 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(N3Cc4ccccc4-n4nncc4C3)ccc12 ZINC000103050223 JK Annotated Anodyne O=C(NC1CCCC1)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103053482 JK Annotated Anodyne O=C(NC1CCCC1)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103053486 JK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000103055035 JK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000103055041 JK Annotated Anodyne CC(C)NC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000103055463 JK Annotated Anodyne CC(C)NC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000103055465 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(/C=C/CCCSc3ncccn3)ccc12 ZINC000103059396 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(/C=C/CCCSc3ncccn3)ccc12 ZINC000103059398 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103063095 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103063097 JK Annotated Anodyne O=C(NC1CCCC1)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccco1 ZINC000103063489 JK Annotated Anodyne O=C(NC1CCCC1)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccco1 ZINC000103063493 JK Annotated Anodyne CN[C@@H]1CC[C@@H](N(Cc2ccnc3ccccc23)C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000103064233 JK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCC[18F])c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000103068608 JK Annotated Bother COc1c(C)cc(O)cc1/C=C/[C@](C)(O)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000103091452 JK Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@@](C)(O)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000103091455 JK Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@](C)(O)CC(=O)/C=C(\C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000103091458 JK Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@@](C)(O)CC(=O)/C=C(\C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000103091461 JK Annotated Mild Cc1cc(=O)oc2c3c(ccc12)OC[C@H]1[C@@H]3c2c(-c3ccccc3)nn(-c3ccccc3)c2OC1(C)C ZINC000103091651 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000103096470 JK Annotated Mild O=C1C(Nc2ccccc2C(F)(F)F)=C(Nc2ccccc2C(F)(F)F)C(=O)c2ccccc21 ZINC000103096913 JK Annotated Mild C=C1C(=O)O[C@H]2C[C@H]3[C@]4(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@@]34C[C@]4(CCC(=O)OC)[C@@H]12 ZINC000103097081 JK Annotated Reactive CCCC[C@@H](CC)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C ZINC000103098809 JK Annotated Mild CCCC[C@H](CC)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C ZINC000103098811 JK Annotated Mild CCC(CC)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C ZINC000103098866 JK Annotated Mild CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000103101015 JK Annotated Mild CCC[C@@H](C)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C ZINC000103101896 JK Annotated Mild CCC[C@H](C)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C ZINC000103101900 JK Annotated Mild COc1ccc(C(=O)O[C@H]2[C@@H](C)C[C@]3(OC(C)=O)C(=O)/C(C)=C/[C@@H]4[C@H](CC/C(C)=C/[C@@H]23)C4(C)C)cc1 ZINC000103103113 JK Annotated Mild CC(C)NC(=O)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103112747 JK Annotated Anodyne CC(C)NC(=O)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103112748 JK Annotated Anodyne O=C(NC1CCCC1)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000103113162 JK Annotated Anodyne O=C(NC1CCCC1)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000103113165 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103117493 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103117496 JK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000103126595 JK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000103126597 JK Annotated Anodyne COc1cc(NC2=C(Cl)C(=O)c3cc4c(cc3C2=O)C(C)(C)CCC4)cc(OC)c1OC ZINC000103137978 JK Annotated Mild COc1cc(OC)cc([C@@H]2/C(=C\c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 ZINC000103139936 JK Annotated Anodyne Nc1sc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 ZINC000103143208 JK Annotated Anodyne Nc1sc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 ZINC000103143210 JK Annotated Anodyne Nc1sc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000103143214 JK Annotated Anodyne Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 ZINC000103143218 JK Annotated Bother Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=S)NC1CCCCC1 ZINC000103144103 JK Annotated Anodyne C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)Nc5ccc(C(F)(F)F)cc5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144649 JK Annotated Mild Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CCC(O)CC1 ZINC000103144919 JK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCC(=O)CC1=O ZINC000103144935 JK Annotated Anodyne CCCCC(=S)N(NC(=O)CC(=O)NN(C(=S)CCCC)c1ccccc1)c1ccccc1 ZINC000103147603 JK Annotated Reactive C=CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2N1[C@@H](c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1 ZINC000103149550 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2N1[C@H](c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1 ZINC000103149553 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2N1[C@H](c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1 ZINC000103149570 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2N1[C@@H](c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1 ZINC000103149573 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]3[C@H]1CC[C@H]2N3[C@H](c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1 ZINC000103149640 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]3[C@H]1CC[C@H]2N3[C@@H](c1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OC)c1 ZINC000103149644 JK Annotated Mild C=CCN1[C@H]2CC[C@H]3[C@H]1CC[C@H]2N3[C@@H](c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1 ZINC000103150991 JK Annotated Mild C=CCN1[C@H]2CC[C@H]3[C@H]1CC[C@H]2N3[C@H](c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1 ZINC000103150994 JK Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000103151837 JK Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000103151839 JK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000103151841 JK Annotated Clean O=S(=O)(Cl)c1ccc(/N=c2/oc(-c3ccc(Cl)cc3)cn2Cc2ccccc2)cc1 ZINC000103152851 JK Annotated Unstable C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 ZINC000103156521 JK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000103156526 JK Annotated Mild CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c12 ZINC000103163582 JK Annotated Mild CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2cc(OC)cc(OC)c12 ZINC000103163584 JK Annotated Mild CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2c(OC)ccc(OC)c12 ZINC000103163587 JK Annotated Mild CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2cc(OC)c(OC)cc12 ZINC000103164392 JK Annotated Mild Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-n2ccnc2)c1 ZINC000103165369 JK Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2cc(Cl)ccc21 ZINC000103166658 JK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2cc(Cl)ccc21 ZINC000103166662 JK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2ccccc21 ZINC000103166674 JK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2ccccc21 ZINC000103166678 JK Annotated Mild CC(C)[C@H](C(=O)OC1CSC(C#N)(c2ccc(Cl)cc2)SC1)c1ccc(Cl)cc1 ZINC000103166809 JK Annotated Mild CC(C)[C@@H](C(=O)OC1CSC(C#N)(c2ccc(Cl)cc2)SC1)c1ccc(Cl)cc1 ZINC000103166812 JK Annotated Mild C=CC[C@H](Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000103167108 JK Annotated Mild C=CC[C@@H](Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000103167111 JK Annotated Mild O=C1N(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1Cn1cnc2ccccc21 ZINC000103167121 JK Annotated Anodyne CCCCCCCCCCCCCCCCO/N=C1\CCCCCCCCCCC(=O)NCCC1 ZINC000103167126 JK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(C)ccc21 ZINC000103167176 JK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(C)ccc21 ZINC000103167178 JK Annotated Mild C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1 ZINC000103167594 JK Annotated Anodyne C[C@@H](c1cccc(C(=O)c2ccccc2)c1)c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1 ZINC000103167597 JK Annotated Anodyne C[C@H](c1cccc(C(=O)c2ccccc2)c1)c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1 ZINC000103167598 JK Annotated Anodyne COc1ccccc1NC(=S)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103167864 JK Annotated Anodyne Fc1ccc(NC(=S)Nc2ccc3ncnc(Sc4nnc(-c5cccnc5)o4)c3c2)cc1 ZINC000103167866 JK Annotated Anodyne CCCCCCCCCCCCCCCCO/N=C1/CCCCCCCCCCC(=O)NCCC1 ZINC000103168226 JK Annotated Mild O=C1N(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1CNc1nc2ccccc2s1 ZINC000103168354 JK Annotated Anodyne Brc1ccc(-c2nnc(N(Cc3ccccc3)Cc3ccccc3)c3ccccc23)cc1 ZINC000103168728 JK Annotated Anodyne Brc1ccc(-c2nnc(Sc3nc4ccccc4s3)c3ccccc23)cc1 ZINC000103168737 JK Annotated Anodyne C[C@@H]1/C(=N/Nc2nc3ccccc3s2)C[C@@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl ZINC000103168965 JK Annotated Mild C[C@@H]1/C(=N/Nc2nc3ccccc3s2)C[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000103168972 JK Annotated Mild CC(C)c1cc(C(C)C)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)n1 ZINC000103170090 JK Annotated Anodyne CC(C)c1cc(C(C)C)nc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)n1 ZINC000103170092 JK Annotated Anodyne COc1cc2cc(C(=O)N3CCC[C@H]3CBr)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103170122 JK Annotated Reactive Nc1nc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103170313 JK Annotated Bother Nc1nc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)cc(-c2ccccc2Br)n1 ZINC000103170319 JK Annotated Anodyne COc1cc2ccc3c(CC[N+](C)(C)C)c(Br)c(OC)c(OC)c3c2cc1OC ZINC000103170570 JK Annotated Bother COc1cc2c(Br)c(CBr)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103170787 JK Annotated Reactive CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@H]12 ZINC000103170828 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000103170833 JK Annotated Bother Cc1nc(N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)sc1/N=N/c1ccc(F)cc1 ZINC000103171271 JK Annotated Mild C(=N\Nc1nc2nc3ccccc3nc2s1)\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103171273 JK Annotated Mild C[C@H]1CCC[C@@H](C)N1CC#CCn1nc(-c2ccccc2)n(-c2cccc3ccccc23)c1=O ZINC000103171424 JK Annotated Mild C[C@H]1CCC[C@H](C)N1CC#CCn1nc(-c2ccccc2)n(-c2cccc3ccccc23)c1=O ZINC000103171426 JK Annotated Mild C[C@@H]1CCC[C@@H](C)N1CC#CCn1nc(-c2ccccc2)n(-c2cccc3ccccc23)c1=O ZINC000103171428 JK Annotated Mild O=c1n(CC#CCN2CCCCCCC2)nc(-c2ccccc2)n1-c1cccc2ccccc12 ZINC000103171438 JK Annotated Mild COc1ccc([C@@H]2NC(S)=N[C@H]3[C@H]2C(C)=NN3c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000103171497 JK Annotated Anodyne COc1ccc([C@@H]2NC(S)=N[C@@H]3[C@H]2C(C)=NN3c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000103171500 JK Annotated Anodyne COc1ccc([C@@H]2NC(S)=N[C@H]3[C@@H]2C(C)=NN3c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000103171502 JK Annotated Anodyne COc1ccc([C@@H]2NC(S)=N[C@@H]3[C@@H]2C(C)=NN3c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000103171504 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3O)[C@H]12 ZINC000103171522 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3O)[C@@H]12 ZINC000103171529 JK Annotated Clean CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccc(O)cc3)[C@H]12 ZINC000103172022 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccc(O)cc3)[C@@H]12 ZINC000103172027 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3Cl)[C@H]12 ZINC000103172034 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3Cl)[C@@H]12 ZINC000103172039 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccc(Cl)cc3)[C@H]12 ZINC000103172043 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccc(Cl)cc3)[C@@H]12 ZINC000103172049 JK Annotated Anodyne N#Cc1c(-c2ccccc2)cc(C(F)(F)F)c2c3n(nc12)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N3 ZINC000103172063 JK Annotated Mild N#Cc1c(-c2ccccc2)cc(C(F)(F)F)c2c3n(nc12)[C@H](c1ccccc1)C[C@H](c1ccccc1)N3 ZINC000103172067 JK Annotated Mild COc1ccccc1-c1nnc2c3c(sc4c(Br)cccc43)c(N3CCCCC3)nn12 ZINC000103172090 JK Annotated Bother C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(C)ccc21 ZINC000103172287 JK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(C)ccc21 ZINC000103172288 JK Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(Cl)c2)cc1Cl ZINC000103172506 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(Cl)c2)cc1Cl ZINC000103172509 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2Cl)cc1Cl ZINC000103172511 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2Cl)cc1Cl ZINC000103172513 JK Annotated Anodyne Cc1ccc(/C=C/[C@@](O)(Cn2cncn2)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000103172626 JK Annotated Anodyne Cc1ccc(/C=C/[C@](O)(Cn2cncn2)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000103172628 JK Annotated Anodyne COc1cc([C@@]2(OC)C=CC(C3CCCCCC3)(C3CCCCCC3)OC2)cc(OC)c1OC ZINC000103172717 JK Annotated Anodyne COc1cc([C@]2(OC)C=CC(C3CCCCCC3)(C3CCCCCC3)OC2)cc(OC)c1OC ZINC000103172718 JK Annotated Anodyne CO[C@@]1(c2ccc(OC(F)(F)F)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 ZINC000103172721 JK Annotated Anodyne CO[C@]1(c2ccc(OC(F)(F)F)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 ZINC000103172724 JK Annotated Anodyne C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(Cl)ccc21 ZINC000103172825 JK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(Cl)ccc21 ZINC000103172828 JK Annotated Mild COc1cc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103173067 JK Annotated Anodyne COc1cc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103173068 JK Annotated Anodyne COc1cc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103173070 JK Annotated Anodyne COc1cc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103173072 JK Annotated Anodyne COc1ccc(/C=C/[C@@](O)(Cn2cncn2)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000103173120 JK Annotated Anodyne COc1ccc(/C=C/[C@](O)(Cn2cncn2)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000103173124 JK Annotated Anodyne CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)OC1 ZINC000103173145 JK Annotated Anodyne CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)OC1 ZINC000103173147 JK Annotated Anodyne C=CCc1ccc(OCCCCCCCCCCCCOc2cccc3ccc(C)nc23)c(OC)c1 ZINC000103173174 JK Annotated Mild Cc1ccc(/C=C/C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)O[C@H]2c2cc3ccccc3nc2Cl)cc1 ZINC000103173247 JK Annotated Bother Cc1ccc(/C=C/C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)O[C@@H]2c2cc3ccccc3nc2Cl)cc1 ZINC000103173249 JK Annotated Bother Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)F)cc1 ZINC000103173492 JK Annotated Anodyne O[C@](/C=C/c1ccccc1)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103173506 JK Annotated Anodyne O[C@@](/C=C/c1ccccc1)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103173507 JK Annotated Anodyne Cc1ccc(-c2sc(-c3nc(-c4c(F)cccc4Cl)nn3C)c(Cl)c2Cl)cc1 ZINC000103173567 JK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(C(C)(C)C)cc2)c(Cl)c1Cl ZINC000103173569 JK Annotated Anodyne CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)OC1 ZINC000103173582 JK Annotated Anodyne CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)OC1 ZINC000103173584 JK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103173671 JK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103173676 JK Annotated Mild N#Cc1c(C(F)(F)F)cc(-c2ccccc2)c2c3n(nc12)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N3 ZINC000103173784 JK Annotated Mild C=C[C@@]1(C)C[C@H](c2ccccc2)Nc2c3c(-c4ccccc4)cc(C(F)(F)F)c(C#N)c3nn21 ZINC000103173788 JK Annotated Mild C=C[C@]1(C)C[C@H](c2ccccc2)Nc2c3c(-c4ccccc4)cc(C(F)(F)F)c(C#N)c3nn21 ZINC000103173789 JK Annotated Mild N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@H]1c1ccc(Cl)cc1 ZINC000103173793 JK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103173794 JK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)F)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C ZINC000103174288 JK Annotated Anodyne Cn1nc(-c2c(F)cccc2F)nc1-c1sc(-c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000103174291 JK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(Br)cc2)cc1Cl ZINC000103174744 JK Annotated Anodyne CSc1ccc(-c2cc(Cl)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)cc1 ZINC000103174746 JK Annotated Anodyne Cc1ccc2cc([C@@H]3CC(c4ccc(I)s4)=NN3)c(Cl)nc2c1 ZINC000103174949 JK Annotated Anodyne Cc1ccc2cc([C@H]3CC(c4ccc(I)s4)=NN3)c(Cl)nc2c1 ZINC000103174951 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccccc1Cl ZINC000103175021 JK Annotated Mild CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000103175170 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000103175172 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1cccc(Cl)c1 ZINC000103175651 JK Annotated Mild Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(Cl)cc1 ZINC000103175653 JK Annotated Mild Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(Br)cc1 ZINC000103175655 JK Annotated Mild Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(C(C)(C)C)cc1 ZINC000103175662 JK Annotated Mild O=C(NN1C(=O)/C(=C/c2ccccc2)S[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103176075 JK Annotated Anodyne O=C(NN1C(=O)/C(=C/c2ccccc2)S[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103176077 JK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000103176093 JK Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)nc1N ZINC000103176949 JK Annotated Mild COc1ccc(-c2cc(-c3ccc(Nc4cc(=O)oc5ccccc45)cc3)nc(N)c2C#N)cc1 ZINC000103177038 JK Annotated Mild COc1ccc(-c2cc(-c3ccc(Nc4cc(=O)oc5ccccc45)cc3)nc(N)c2C#N)cc1OC ZINC000103177043 JK Annotated Mild CC(C)(C)c1cc(-c2nnc(CN3CCC(n4nc5ccccc5n4)CC3)o2)cc(C(C)(C)C)c1 ZINC000103177506 JK Annotated Anodyne CCCCCCCCCCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000103177849 JK Annotated Mild Fc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c(Cl)c1 ZINC000103177859 JK Annotated Anodyne COc1cc(C)c2c(O[C@@H]3CCCC[C@@H]3C(F)(F)F)c(OC)cc(N[C@@H](C)CCCN)c2n1 ZINC000103177917 JK Annotated Anodyne COc1cc(C)c2c(O[C@@H]3CCCC[C@@H]3C(F)(F)F)c(OC)cc(N[C@H](C)CCCN)c2n1 ZINC000103177919 JK Annotated Anodyne O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 ZINC000103177973 JK Annotated Reactive CCc1ccc(-c2ccc([C@@](O)(c3cc4cc(-c5ccc(CC)cc5)ccc4o3)C(C)C)cc2)cc1 ZINC000103177998 JK Annotated Anodyne CCc1ccc(-c2ccc([C@](O)(c3cc4cc(-c5ccc(CC)cc5)ccc4o3)C(C)C)cc2)cc1 ZINC000103178002 JK Annotated Anodyne CCc1ccc(-c2ccc([C@@](O)(c3cc4cc(-c5ccc(CC)cc5)ccc4o3)C(C)(C)C)cc2)cc1 ZINC000103178006 JK Annotated Anodyne CCc1ccc(-c2ccc([C@](O)(c3cc4cc(-c5ccc(CC)cc5)ccc4o3)C(C)(C)C)cc2)cc1 ZINC000103178009 JK Annotated Anodyne CCc1ccc(-c2ccc([C@@](O)(CC)c3cc4cc(-c5ccc(CC)cc5)ccc4o3)cc2)cc1 ZINC000103178012 JK Annotated Anodyne CCc1ccc(-c2ccc([C@](O)(CC)c3cc4cc(-c5ccc(CC)cc5)ccc4o3)cc2)cc1 ZINC000103178015 JK Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3cc(Cl)ccc3F)n2-c2ccccc2)n1 ZINC000103178266 JK Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)nc1N ZINC000103178291 JK Annotated Mild N#Cc1ccc(Cl)c(-c2ccc(C(=O)c3cc4cc(-c5cc(C#N)ccc5Cl)ccc4o3)cc2)c1 ZINC000103179262 JK Annotated Mild Cc1nc(C(C)(C)C)sc1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103179323 JK Annotated Mild O=C(c1ccccc1)c1cc(Cl)cc2c1N1Cc3cc(Cl)cc(C(=O)c4ccccc4)c3N(C2)C1 ZINC000103179715 JK Annotated Anodyne O=C(N/N=C\c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000103180677 JK Annotated Reactive O[C@](Cc1ccccc1)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 ZINC000103180702 JK Annotated Anodyne O[C@@](Cc1ccccc1)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 ZINC000103180704 JK Annotated Anodyne N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1cc2ccccc2nc1Sc1ccccc1 ZINC000103181088 JK Annotated Mild COc1cccc(N[C@@H](c2ccco2)P(=O)(OCc2ccccc2)OCc2ccccc2)c1 ZINC000103181555 JK Annotated Anodyne COc1cccc(N[C@H](c2ccco2)P(=O)(OCc2ccccc2)OCc2ccccc2)c1 ZINC000103181557 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Br)cc3s2)cc1 ZINC000103181842 JK Annotated Bother Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C(C)(C)N(OC(=O)CC(C)(C)C)C2=O)c(C)c1 ZINC000103181920 JK Annotated Mild Cc1cc(/N=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000103182875 JK Annotated Mild CC(C)c1csc(-c2nnc(Sc3nnc(-c4ccc(Cl)cc4)o3)n2-c2ccccc2)n1 ZINC000103183693 JK Annotated Anodyne CCOc1ccccc1-c1ccc([C@](O)(CC)c2cc3cc(-c4ccccc4OCC)ccc3o2)cc1 ZINC000103183915 JK Annotated Anodyne CCOc1ccccc1-c1ccc([C@@](O)(CC)c2cc3cc(-c4ccccc4OCC)ccc3o2)cc1 ZINC000103183918 JK Annotated Anodyne O=C(c1ccc(-c2cc3cc(Br)ccc3oc2=O)nc1)c1cc(Cl)ccc1O ZINC000103184162 JK Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(OCC(F)(F)F)cc3)cc2)c1Cl ZINC000103184437 JK Annotated Anodyne CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccc(I)cc3s2)C1 ZINC000103184782 JK Annotated Anodyne CC(C)c1csc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)n1 ZINC000103184997 JK Annotated Reactive Cc1cc(C)c(C2=C(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103185079 JK Annotated Mild Cc1cc(C)c(C2=C(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103185081 JK Annotated Mild Cc1ccccc1NC(=O)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103185172 JK Annotated Anodyne S=c1[nH]nc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1Cc1ccccc1 ZINC000103185320 JK Annotated Anodyne O=c1[nH]nc2c3c(c(-c4ccccc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 ZINC000103185460 JK Annotated Bother O=c1[nH]nc2c3c(c(-c4ccc(Cl)cc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 ZINC000103185465 JK Annotated Bother Cc1ccc(-c2nc3ccccc3c3c2c(-c2ccccc2)c(-c2ccccc2)n2c(=O)[nH]nc32)cc1 ZINC000103185468 JK Annotated Bother Sc1nnc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000103186275 JK Annotated Anodyne Fc1ccc(-n2c(S)nnc2CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000103186291 JK Annotated Anodyne ClC(Cl)=C(Cl)COc1cc(Cl)c(OCCCOc2ccc(Cl)cc2)c(Cl)c1 ZINC000103186379 JK Annotated Anodyne CC(COc1cc(Cl)c(OCCCOc2ccc(Cl)cc2)c(Cl)c1)=C(Cl)Cl ZINC000103186383 JK Annotated Anodyne FC(F)(F)c1ccc(OCCCOc2c(Cl)cc(OC/C(Cl)=C/Cl)cc2Cl)nc1 ZINC000103186388 JK Annotated Anodyne ClC(Cl)=CCOc1cc(Cl)c(OCCCOc2ccc(Cl)cc2)c(Cl)c1 ZINC000103186390 JK Annotated Anodyne CCCCCCCCCCCCCCCCNc1nc(C)nc(C(Cl)(Cl)Cl)n1 ZINC000103187179 JK Annotated Mild COc1ccc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(Cl)cc2)cc1 ZINC000103187215 JK Annotated Mild COc1ccc(OC)c(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(Cl)cc2)c1 ZINC000103187218 JK Annotated Mild COc1ccc(CCNC(=O)/C=C(\c2ccnc(Cl)c2)c2ccc(C)c(C)c2)cc1OC ZINC000103187258 JK Annotated Anodyne COc1ccc(CCNC(=O)/C=C(\c2ccnc(Cl)c2)c2ccc(C)cc2C)cc1OC ZINC000103187262 JK Annotated Anodyne Sc1nnc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000103187523 JK Annotated Anodyne COc1ccc2nc(Oc3ccc(C)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000103187810 JK Annotated Reactive COc1ccc2nc(Oc3ccc(C)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000103187811 JK Annotated Reactive Cc1ccc([C@@]2(C)SCC(=O)N2NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000103187925 JK Annotated Anodyne Cc1ccc([C@]2(C)SCC(=O)N2NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000103187926 JK Annotated Anodyne Cc1ccc([C@@]2(C)SCC(=O)N2NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000103187929 JK Annotated Anodyne Cc1ccc([C@]2(C)SCC(=O)N2NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000103187931 JK Annotated Anodyne Clc1ccccc1/C=N/[C@@H]1Oc2ccccc2C[C@@H]1c1noc(-c2ccccc2Cl)n1 ZINC000103188220 JK Annotated Mild Clc1ccccc1/C=N/[C@@H]1Oc2ccccc2C[C@H]1c1noc(-c2ccccc2Cl)n1 ZINC000103188223 JK Annotated Mild Clc1ccccc1/C=N/[C@H]1Oc2ccccc2C[C@@H]1c1noc(-c2ccccc2Cl)n1 ZINC000103188225 JK Annotated Mild Clc1ccccc1/C=N/[C@H]1Oc2ccccc2C[C@H]1c1noc(-c2ccccc2Cl)n1 ZINC000103188227 JK Annotated Mild Clc1ccc(OCc2cccc(COc3ccc(Cl)c4cccnc34)c2)c2ncccc12 ZINC000103188675 JK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1OS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103188734 JK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103188742 JK Annotated Mild C[C@@H]1CCc2c1nn(C)c2C(=O)NC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000103188860 JK Annotated Anodyne C[C@H]1CCc2c1nn(C)c2C(=O)NC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000103188863 JK Annotated Anodyne Cc1cccc(Nc2ccccc2C(=O)OCc2c(C(C)C)c(=O)n(-c3ccccc3)n2C)c1C ZINC000103189154 JK Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3ncnc(Sc4nnc(-c5cccnc5)o4)c3c2)cc1 ZINC000103189356 JK Annotated Anodyne S=C(Nc1ccccc1)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103189369 JK Annotated Anodyne S=C(Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1)Nc1ccccc1Cl ZINC000103189490 JK Annotated Anodyne S=C(Nc1cccc(Cl)c1)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103189495 JK Annotated Anodyne S=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103189498 JK Annotated Anodyne Cc1ccccc1NC(=S)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103189504 JK Annotated Anodyne Cc1cccc(NC(=S)Nc2ccc3ncnc(Sc4nnc(-c5cccnc5)o4)c3c2)c1 ZINC000103189510 JK Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc3ncnc(Sc4nnc(-c5cccnc5)o4)c3c2)cc1 ZINC000103189514 JK Annotated Anodyne CCN(CC)Cn1nc(-c2cccc(Cl)c2)n(-c2ccc(Br)cc2)c1=S ZINC000103189546 JK Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@]1(C)c1ccc(Cl)cc1 ZINC000103189681 JK Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@]1(C)c1ccc(Cl)cc1 ZINC000103189684 JK Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@]1(C)c1ccc(Cl)cc1 ZINC000103189687 JK Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@]1(C)c1ccc(Cl)cc1 ZINC000103189690 JK Annotated Anodyne Clc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000103189991 JK Annotated Mild Clc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000103189995 JK Annotated Mild Clc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000103189998 JK Annotated Mild Clc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000103190001 JK Annotated Mild Clc1ccc(OCc2ccccc2COc2ccc(Cl)c3cccnc23)c2ncccc12 ZINC000103190478 JK Annotated Anodyne Clc1ccc(OCc2ccc(COc3ccc(Cl)c4cccnc34)cc2)c2ncccc12 ZINC000103190632 JK Annotated Anodyne O=[N+]([O-])c1cccc(-c2ccc([C@H](O)c3cc4cc(-c5cccc([N+](=O)[O-])c5)ccc4o3)cc2)c1 ZINC000103190764 JK Annotated Bother O=[N+]([O-])c1cccc(-c2ccc([C@@H](O)c3cc4cc(-c5cccc([N+](=O)[O-])c5)ccc4o3)cc2)c1 ZINC000103190766 JK Annotated Bother COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000103191256 JK Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000103191260 JK Annotated Anodyne O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(F)cc1)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000103191509 JK Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000103191545 JK Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000103191548 JK Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000103191551 JK Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000103191552 JK Annotated Anodyne COc1ccc([C@H]2C3=C(CCCC3)Nc3ncn(/N=C/c4ccc(Cl)cc4)c(=N)c32)cc1OC ZINC000103191778 JK Annotated Mild COc1ccc([C@@H]2C3=C(CCCC3)Nc3ncn(/N=C/c4ccc(Cl)cc4)c(=N)c32)cc1OC ZINC000103191781 JK Annotated Mild COc1ccc(OC)c(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000103191797 JK Annotated Reactive COc1ccc(OC)c(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)c1 ZINC000103191800 JK Annotated Reactive COP(=O)(OC)[C@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000103192243 JK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000103192247 JK Annotated Anodyne Clc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3cc(Cl)c(Cl)cc3s2)cc1 ZINC000103192910 JK Annotated Anodyne C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(C)cc1 ZINC000103194120 JK Annotated Reactive O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3cc(Cl)c(Cl)cc3s2)cc1 ZINC000103194430 JK Annotated Bother N=c1c2c(ncn1/N=C/c1ccc(Cl)cc1)NC1=C(CCCC1)[C@H]2c1ccc(Cl)cc1 ZINC000103195045 JK Annotated Mild N=c1c2c(ncn1/N=C/c1ccc(Cl)cc1)NC1=C(CCCC1)[C@@H]2c1ccc(Cl)cc1 ZINC000103195048 JK Annotated Mild Cc1ccc(-c2nnc(Sc3nnc(-c4nc(C(C)C)cs4)n3-c3ccccc3)o2)cc1 ZINC000103195808 JK Annotated Anodyne CC(C)c1csc(-c2nnc(Sc3nnc(-c4ccc(O)cc4)o3)n2-c2ccccc2)n1 ZINC000103195811 JK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103195927 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccc(Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103195930 JK Annotated Reactive CCCCCCCCCCCCCCCCCCNc1nc(C)nc(C(Cl)(Cl)Cl)n1 ZINC000103196059 JK Annotated Mild Clc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Br)cc3s2)cc1 ZINC000103196070 JK Annotated Anodyne COc1ccc(NC2=NN(C(=O)COc3ccccc3Cl)[C@H](c3ccccc3)S2)cc1 ZINC000103196658 JK Annotated Anodyne COc1ccc(NC2=NN(C(=O)COc3ccccc3Cl)[C@@H](c3ccccc3)S2)cc1 ZINC000103196660 JK Annotated Anodyne O=C(COc1ccccc1Cl)N1N=C(Nc2ccc(Cl)cc2)S[C@@H]1c1ccccc1 ZINC000103196676 JK Annotated Anodyne O=C(COc1ccccc1Cl)N1N=C(Nc2ccc(Cl)cc2)S[C@H]1c1ccccc1 ZINC000103196679 JK Annotated Anodyne Cc1ccccc1OCc1ccccc1-c1nc(-c2cc(Cl)sc2S(N)(=O)=O)cs1 ZINC000103197336 JK Annotated Anodyne Cc1cccc(OCc2ccccc2-c2nc(-c3cc(Cl)sc3S(N)(=O)=O)cs2)c1 ZINC000103197338 JK Annotated Anodyne Cc1ccc(OCc2ccccc2-c2nc(-c3cc(Cl)sc3S(N)(=O)=O)cs2)cc1 ZINC000103197341 JK Annotated Anodyne NS(=O)(=O)c1sc(Cl)cc1-c1csc(-c2ccccc2COc2ccc(Cl)cc2)n1 ZINC000103197343 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1nnc(SCc2ccccc2)o1 ZINC000103198372 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1nnc(SCc2ccc(Cl)nc2)o1 ZINC000103198374 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1nnc(SC(=O)c2ccccc2)o1 ZINC000103198376 JK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCCC1=C(C(C)=O)C(=O)C(C)=C(OC(C)=O)C1=O ZINC000103198461 JK Annotated Mild C[C@H](C(=O)NN1C(=O)CS[C@H]1c1c(F)cccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103198574 JK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1c(F)cccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103198578 JK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1c(F)cccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103198581 JK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1c(F)cccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103198582 JK Annotated Anodyne CC(C)(C)Oc1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5o4)CC3)o2)cc1 ZINC000103198792 JK Annotated Anodyne CCCCCCCCCCCCCCC/C(=N/S(=O)(=O)c1ccc(C)cc1)N(CC)CC ZINC000103198960 JK Annotated Mild N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)nc1N ZINC000103199425 JK Annotated Mild C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103199997 JK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103199999 JK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200002 JK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200004 JK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200005 JK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200009 JK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200012 JK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200015 JK Annotated Anodyne CCN(CC)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000103200760 JK Annotated Anodyne CCCCCCCCCCCCCCCCO/N=C1/CCCCCCCCCCC(=O)OCCC1 ZINC000103200889 JK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1Cl ZINC000103200995 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1Cl ZINC000103200998 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103201026 JK Annotated Reactive CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103201029 JK Annotated Reactive O=C1CCCCCCCCCC[C@@]2(CCCO1)N=N/C(=N/c1ccccc1Br)S2 ZINC000103201149 JK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCO1)N=N/C(=N/c1ccccc1Br)S2 ZINC000103201151 JK Annotated Mild O=C1CCCCCCCCCC[C@@]2(CCCO1)N=N/C(=N/c1ccc(Br)cc1)S2 ZINC000103201153 JK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCO1)N=N/C(=N/c1ccc(Br)cc1)S2 ZINC000103201155 JK Annotated Mild O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)nn1 ZINC000103201251 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000103201683 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000103201686 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(F)c2)cc1F ZINC000103201689 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(F)c2)cc1F ZINC000103201692 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1F ZINC000103201722 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1F ZINC000103201724 JK Annotated Anodyne O=C(NC(=O)N(SNc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000103201852 JK Annotated Anodyne Cc1c(-c2ccc(OC(F)(F)F)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201956 JK Annotated Anodyne Cc1ccc(-c2sc(-c3nc(-c4c(F)cccc4Cl)nn3C)cc2Br)cc1 ZINC000103202028 JK Annotated Anodyne Cc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(Cl)c2)c1 ZINC000103202122 JK Annotated Anodyne Cc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(Cl)c2)c1 ZINC000103202124 JK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202135 JK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202137 JK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202139 JK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202141 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 ZINC000103202267 JK Annotated Reactive CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 ZINC000103202269 JK Annotated Reactive O=C1CCCCCCCCCC[C@@]2(CCCN1)N=N/C(=N/c1ccccc1Br)S2 ZINC000103202283 JK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCN1)N=N/C(=N/c1ccccc1Br)S2 ZINC000103202285 JK Annotated Mild COc1cc2cc(CN3CCC[C@H]3CBr)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103202395 JK Annotated Reactive Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1F ZINC000103203104 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1F ZINC000103203107 JK Annotated Anodyne C/C=C/OC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103203600 JK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccc(N)cc2)c1-c1ccc(Cl)cc1 ZINC000103203768 JK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1F ZINC000103203771 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1F ZINC000103203773 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(F)c2)cc1F ZINC000103203775 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(F)c2)cc1F ZINC000103203778 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000103203780 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000103203782 JK Annotated Anodyne COCCOc1cccc(-c2cc(C)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)c1 ZINC000103204668 JK Annotated Anodyne COc1cc2c(Br)c(CN3CCC[C@H]3C#N)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103204734 JK Annotated Mild COc1ccc2c(Br)c(CN3CCC[C@H]3C#N)c3cc(OC)c(OC)cc3c2c1 ZINC000103204738 JK Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103205066 JK Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103205068 JK Annotated Bother CO[C@@]1(c2ccc(S(C)(=O)=O)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 ZINC000103205160 JK Annotated Anodyne CO[C@]1(c2ccc(S(C)(=O)=O)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 ZINC000103205163 JK Annotated Anodyne C=C(C)CNc1c([S@](=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000103205534 JK Annotated Mild C=C(C)CNc1c([S@@](=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000103205538 JK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1Cl ZINC000103206271 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1Cl ZINC000103206272 JK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103206363 JK Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103206365 JK Annotated Bother N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000103206955 JK Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000103206957 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000103206960 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000103206963 JK Annotated Reactive Cc1cc(Br)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)CC(C)(C)C ZINC000103207290 JK Annotated Reactive C=CCOC(=O)/C=C/COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000103207667 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCNC1=C(C)C(=O)c2cccc(OC)c2C1=O ZINC000103207758 JK Annotated Mild COc1ccc(Sc2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccccc2)cc1 ZINC000103207781 JK Annotated Mild Cc1nn(-c2ccccc2)c(Sc2ccc(F)cc2)c1/C=N/OCc1ccc(Cl)nc1 ZINC000103207786 JK Annotated Mild Cc1nn(-c2cccc(Cl)c2)c(Sc2ccc(F)cc2)c1/C=N/OCc1ccc(Cl)nc1 ZINC000103207790 JK Annotated Mild Cc1ccc(Sc2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000103207796 JK Annotated Mild COc1ccc(Sc2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000103207800 JK Annotated Mild Cc1nn(-c2ccc(Cl)cc2)c(Sc2ccc(F)cc2)c1/C=N/OCc1ccc(Cl)nc1 ZINC000103207803 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 ZINC000103208288 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 ZINC000103208289 JK Annotated Reactive Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000103208307 JK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000103208310 JK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000103208325 JK Annotated Anodyne Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000103208329 JK Annotated Anodyne Cc1cc(Br)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C ZINC000103208672 JK Annotated Reactive Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)C ZINC000103208676 JK Annotated Reactive COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2CN2CCCC2)cc1 ZINC000103208694 JK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000103208697 JK Annotated Mild CCC(=O)N1N=C(c2ccc(-c3ccccc3Cl)o2)O[C@H]1c1ccc(Br)cc1 ZINC000103208773 JK Annotated Anodyne CCC(=O)N1N=C(c2ccc(-c3ccccc3Cl)o2)O[C@@H]1c1ccc(Br)cc1 ZINC000103208777 JK Annotated Anodyne COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cccc(C)c2)cc1 ZINC000103208921 JK Annotated Clean COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccccc2C)cc1 ZINC000103208926 JK Annotated Clean Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(F)c2)cc1 ZINC000103209003 JK Annotated Anodyne Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(F)c2)cc1 ZINC000103209006 JK Annotated Anodyne O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccccc2Br)o1 ZINC000103209058 JK Annotated Anodyne CCCCCCCCCCCCCCO/N=C1/CCCCCCCCCCC(=O)NCC1 ZINC000103209264 JK Annotated Mild CCCCCCCCCCCCCCO/N=C1\CCCCCCCCCCC(=O)NCC1 ZINC000103209267 JK Annotated Mild CCCCCCCCCCCCCCCCO/N=C1/CCCCCCCCCCC(=O)NCC1 ZINC000103209269 JK Annotated Mild CCCCCCCCCCCCCCCCO/N=C1\CCCCCCCCCCC(=O)NCC1 ZINC000103209270 JK Annotated Mild COc1cc([C@@H]2SCC(=O)N2c2ccccc2-c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC ZINC000103209665 JK Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2ccccc2-c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC ZINC000103209669 JK Annotated Anodyne Cc1cc(Cl)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)CC(C)(C)C ZINC000103210035 JK Annotated Reactive Cc1cc(Br)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)CCl ZINC000103210163 JK Annotated Reactive Cc1cc(Cl)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)CCl ZINC000103210177 JK Annotated Reactive CCOC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103210647 JK Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/OCc3ccc(Cl)nc3)c2Sc2ccc(F)cc2)cc1 ZINC000103210650 JK Annotated Mild Cc1ccc(Sc2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccc(C)cc2)cc1 ZINC000103210653 JK Annotated Mild O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccc(Br)cc2)o1 ZINC000103210657 JK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCCCC3)n2)cc1C(F)(F)F ZINC000103211729 JK Annotated Mild O=C1CCCC2=C1[C@H](c1cn(-c3ccccc3)nc1-c1cccs1)CC(=O)N2c1ccc(F)cc1 ZINC000103212000 JK Annotated Mild O=C1CCCC2=C1[C@@H](c1cn(-c3ccccc3)nc1-c1cccs1)CC(=O)N2c1ccc(F)cc1 ZINC000103212003 JK Annotated Mild O=C1CCCC2=C1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103212024 JK Annotated Mild O=C1CCCC2=C1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103212028 JK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 ZINC000103212039 JK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 ZINC000103212043 JK Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(Cl)cc2)cc1Cl ZINC000103212356 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(Cl)cc2)cc1Cl ZINC000103212359 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F ZINC000103212466 JK Annotated Reactive CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F ZINC000103212469 JK Annotated Reactive O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1F ZINC000103212642 JK Annotated Mild Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)NC(=O)c1c(F)cccc1F ZINC000103212647 JK Annotated Mild Cc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)c(C(F)(C(F)(F)F)C(F)(F)F)c1 ZINC000103212663 JK Annotated Mild Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)NC(=O)c1c(F)cccc1F ZINC000103212666 JK Annotated Mild O=C1C[C@@H](c2ccc(Br)cc2)Nc2c(Br)cc(Br)cc21 ZINC000103213458 JK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2)Nc2c(Br)cc(Br)cc21 ZINC000103213462 JK Annotated Anodyne Cc1cccc2cc([C@@H]3CC(c4ccc(I)s4)=NN3)c(Cl)nc12 ZINC000103213677 JK Annotated Anodyne Cc1cccc2cc([C@H]3CC(c4ccc(I)s4)=NN3)c(Cl)nc12 ZINC000103213680 JK Annotated Anodyne CCCCC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103214095 JK Annotated Mild COSN(C(=O)c1ccc2c(c1C)O[C@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000103214442 JK Annotated Reactive COSN(C(=O)c1ccc2c(c1C)O[C@@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000103214444 JK Annotated Reactive O=C1CCCC2=C1[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)CC(=O)N2c1ccc(F)cc1 ZINC000103214923 JK Annotated Mild O=C1CCCC2=C1[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)CC(=O)N2c1ccc(F)cc1 ZINC000103214925 JK Annotated Mild O=c1c(Cc2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)oc2ccc(F)cc12 ZINC000103215015 JK Annotated Mild Cc1cc(-c2ccc3c(c2)OC(F)(F)O3)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103215295 JK Annotated Anodyne Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000103215372 JK Annotated Anodyne Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000103215374 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(O)c2)cc1Cl ZINC000103215377 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(O)c2)cc1Cl ZINC000103215380 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1Cl ZINC000103215382 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1Cl ZINC000103215384 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1F ZINC000103215385 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1F ZINC000103215387 JK Annotated Anodyne O=C1CCCCCCCCCC[C@@]2(CCCN1)N=N/C(=N/c1ccc(Cl)c(Cl)c1)S2 ZINC000103215473 JK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCN1)N=N/C(=N/c1ccc(Cl)c(Cl)c1)S2 ZINC000103215476 JK Annotated Mild O=C1CCCCCCCCCC[C@@]2(CCCN1)N=N/C(=N/c1cc(Cl)ccc1Cl)S2 ZINC000103215478 JK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCN1)N=N/C(=N/c1cc(Cl)ccc1Cl)S2 ZINC000103215480 JK Annotated Mild O=C1CCCCCCCCCC[C@@]2(CCCN1)N=N/C(=N/c1cccc3ccccc13)S2 ZINC000103215482 JK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCN1)N=N/C(=N/c1cccc3ccccc13)S2 ZINC000103215484 JK Annotated Mild CCCCCCCCc1cc(-c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)no1 ZINC000103215498 JK Annotated Mild CC(C)CC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103215517 JK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000103215519 JK Annotated Mild Cc1ccc(C(=O)OCn2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)cc1 ZINC000103215531 JK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccccc2N)c1-c1ccc(Cl)cc1 ZINC000103215536 JK Annotated Mild Cc1cc(OC(C)(C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)ccc1Cl ZINC000103215645 JK Annotated Mild CC(C)(Oc1ccc(Cl)cc1)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000103215647 JK Annotated Mild CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(Cl)cc3Cl)s2)c(Cl)c1=O ZINC000103215975 JK Annotated Anodyne CC1(C)[C@H](/C=C/Br)[C@H]1CC(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000103215977 JK Annotated Mild CC1(C)[C@H](/C=C/Br)[C@H]1CC(=O)O[C@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000103215979 JK Annotated Mild CCN(C(=O)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2)c1ccc(C)cc1C ZINC000103216311 JK Annotated Anodyne COc1cc(/C=C2\C(=O)c3ccccc3O[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103216347 JK Annotated Mild COc1cc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103216350 JK Annotated Mild Cn1nc(-c2c(F)cccc2F)nc1-c1ccc(-c2ccc(C(C)(F)F)cc2Cl)s1 ZINC000103216582 JK Annotated Anodyne COc1ccc2c(CN3CCC[C@H]3C#N)c(Br)c3cc(OC)c(OC)cc3c2c1 ZINC000103216614 JK Annotated Mild N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@H]1c1ccc(Cl)cc1 ZINC000103216945 JK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103216947 JK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@H]1c1ccc(Br)cc1 ZINC000103216949 JK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@@H]1c1ccc(Br)cc1 ZINC000103216952 JK Annotated Reactive Cc1ccc(Cl)c(Oc2c(/C=N/OCc3cnc(Cl)s3)c(C(F)(F)F)nn2C)c1 ZINC000103216958 JK Annotated Mild CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CN3C(=O)c4cccc5cccc(c45)C3=O)CCC[C@]21C ZINC000103216984 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CN3C(=O)c4cccc5cccc(c45)C3=O)CCC[C@]21C ZINC000103216985 JK Annotated Anodyne COc1ccc([C@H]2S/C(=C\c3ccccc3)C(=O)N2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000103217174 JK Annotated Anodyne COc1ccc([C@@H]2S/C(=C\c3ccccc3)C(=O)N2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000103217179 JK Annotated Anodyne CN(C)c1ccc(/C=C/C(=N\NC(=O)Nc2ccc(Br)cc2)c2ccc(O)cc2O)cc1 ZINC000103217211 JK Annotated Reactive O=C(N/N=C(\C=C\c1ccccc1O)c1ccccc1O)Nc1ccc(Br)cc1 ZINC000103217214 JK Annotated Reactive Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1 ZINC000103217366 JK Annotated Anodyne Cc1cc(C)c(C2=C(OC(=O)C(=O)Oc3ccc(C(C)(C)C)cc3)C3(CCCC3)OC2=O)c(C)c1 ZINC000103217612 JK Annotated Anodyne C(=N\Nc1nc(-c2cc3ccccc3o2)cs1)\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103217966 JK Annotated Mild O=c1oc2ccccc2cc1-c1csc(N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)n1 ZINC000103217969 JK Annotated Mild C=C(C(=O)OCC)[C@@H](C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000103218153 JK Annotated Mild C=C(C(=O)OCC)[C@H](C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000103218155 JK Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/OCc3ccc(Cl)nc3)c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000103218347 JK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1F ZINC000103218382 JK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C)cc1F ZINC000103218385 JK Annotated Anodyne Cc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(F)c2)c1 ZINC000103218390 JK Annotated Anodyne Cc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snnc2C)c2ccc(C)c(F)c2)c1 ZINC000103218395 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(Cl)cc1Cl ZINC000103218486 JK Annotated Mild Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Sc1ccc(Cl)cc1 ZINC000103218490 JK Annotated Mild COc1ccccc1-c1ccc(C[C@H]2c3c(O)cc(O)cc3CCN2C(=O)OC(C)(C)C)cc1 ZINC000103219252 JK Annotated Clean COc1ccccc1-c1ccc(C[C@@H]2c3c(O)cc(O)cc3CCN2C(=O)OC(C)(C)C)cc1 ZINC000103219254 JK Annotated Clean Clc1ccc(-c2nc(SCCN(C3CCCCC3)C3CCCCC3)n[nH]2)c(Cl)c1 ZINC000103219844 JK Annotated Anodyne COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccccc2C)cc1 ZINC000103220140 JK Annotated Clean NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 ZINC000103220624 JK Annotated Reactive Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2C)cc1Cl ZINC000103220709 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2C)cc1Cl ZINC000103220711 JK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000103220835 JK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000103220837 JK Annotated Anodyne COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccccc2)cc1 ZINC000103221325 JK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cccc(C)c2)cc1 ZINC000103221413 JK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccccc2)cc1 ZINC000103221502 JK Annotated Clean C=CCOC(=O)/C=C(\C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000103221554 JK Annotated Mild N#Cc1c(-c2ccccc2C(F)(F)F)nc(SCc2ccc(OC(F)(F)F)cc2)[nH]c1=O ZINC000103221627 JK Annotated Mild COc1ccc(Nc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000103221991 JK Annotated Anodyne COc1ccccc1Nc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1OC ZINC000103221994 JK Annotated Anodyne Cc1ccc(Nc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2-c2ccc(C)cc2)cc1 ZINC000103222000 JK Annotated Anodyne Cc1cccc(C)c1Nc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1c(C)cccc1C ZINC000103222003 JK Annotated Anodyne COc1ccc(-n2c(=S)sc3c(=O)n(-c4ccc(F)cc4)c(Nc4ccc(F)cc4)nc32)cc1 ZINC000103222088 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1F ZINC000103222145 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1F ZINC000103222151 JK Annotated Anodyne Cc1ccc([C@@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000103222240 JK Annotated Anodyne Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000103222243 JK Annotated Anodyne Cc1cccc([C@@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(Cl)c2)c1 ZINC000103222247 JK Annotated Anodyne Cc1cccc([C@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(Cl)c2)c1 ZINC000103222250 JK Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(Cl)cc3Cl)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103222363 JK Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(Cl)c(Cl)c3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103222367 JK Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1c(F)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1F ZINC000103222644 JK Annotated Mild CCOP(=O)(OCC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103222648 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103222651 JK Annotated Anodyne Oc1cc(Br)ccc1/C=N\c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000103223832 JK Annotated Mild Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1 ZINC000103223889 JK Annotated Anodyne Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1 ZINC000103223891 JK Annotated Anodyne Cc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)c1 ZINC000103223896 JK Annotated Anodyne Cc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)c1 ZINC000103223900 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(C(F)(F)F)cc2)cc1F ZINC000103223962 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(C(F)(F)F)cc2)cc1F ZINC000103223967 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(C(F)(F)F)c2)cc1F ZINC000103223971 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(C(F)(F)F)c2)cc1F ZINC000103223975 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2C(F)(F)F)cc1F ZINC000103223978 JK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2C(F)(F)F)cc1F ZINC000103223981 JK Annotated Anodyne O=C(/C=C/c1ccc(/C=N/c2cccc(Cl)c2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103224745 JK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCn3ccnc3)[C@H]21 ZINC000103224842 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCn3ccnn3)[C@H]21 ZINC000103224845 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCn3cnnn3)[C@H]21 ZINC000103224854 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCn3ncnn3)[C@H]21 ZINC000103224857 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN(C)C)[C@H]21 ZINC000103224863 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CCCC3)[C@H]21 ZINC000103224880 JK Annotated Anodyne Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@@H](CNC(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000103225775 JK Annotated Anodyne Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](CNC(=O)C1CC(F)(F)C1)c1ccccc1 ZINC000103225778 JK Annotated Anodyne COc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 ZINC000103225827 JK Annotated Anodyne CC(C)(C)Cc1c(-c2ccc(Cl)c(Cl)c2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103226666 JK Annotated Anodyne COCCOc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1 ZINC000103226673 JK Annotated Anodyne CC(C)(C)Cc1c(-c2ccc(OC(F)(F)F)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103226679 JK Annotated Anodyne O=C(Cn1cc(-c2ccsc2)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226768 JK Annotated Anodyne CCCCCCc1cn(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)nn1 ZINC000103226771 JK Annotated Anodyne O=C(Cn1cc(C2(O)CCCCC2)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226786 JK Annotated Anodyne Cc1cccc(-c2cn(CC(=O)N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)nn2)c1 ZINC000103226794 JK Annotated Anodyne COc1cccc(-c2cn(CC(=O)N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)nn2)c1 ZINC000103226804 JK Annotated Anodyne COc1ccc(-c2cn(CC(=O)N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)nn2)c(C)c1 ZINC000103226808 JK Annotated Anodyne O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226810 JK Annotated Bother O=C(Cn1cc(-c2ccc(F)cc2F)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226815 JK Annotated Anodyne FC(F)(F)c1ccccc1-c1ccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)o1 ZINC000103226948 JK Annotated Anodyne FC(F)(F)c1ccccc1-c1ccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)o1 ZINC000103226953 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc(-c3cnnc(N4CC[C@H](c5cccc(Cl)c5)C4)n3)o2)c1 ZINC000103226957 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc(-c3cnnc(N4CC[C@@H](c5cccc(Cl)c5)C4)n3)o2)c1 ZINC000103226962 JK Annotated Anodyne O=[N+]([O-])c1cccc(-c2ccc(-c3cnnc(N4CC[C@H](c5cccc(Cl)c5)C4)n3)cc2)c1 ZINC000103226966 JK Annotated Bother O=[N+]([O-])c1cccc(-c2ccc(-c3cnnc(N4CC[C@@H](c5cccc(Cl)c5)C4)n3)cc2)c1 ZINC000103226971 JK Annotated Bother N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227249 JK Annotated Anodyne c1ccc2c(c1)/C(=N/N=C1\c3ccccc3-c3nc4ccccc4nc31)c1nc3ccccc3nc1-2 ZINC000103227549 JK Annotated Mild N#CC(=C\c1ccc(Br)cc1)/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O ZINC000103228458 JK Annotated Reactive COc1ccc2c(=O)c3cc(C(=O)N[C@H](c4ccccc4)[C@@H](O)c4ccccc4)ccc3oc2c1 ZINC000103228868 JK Annotated Bother COc1ccc2c(=O)c3cc(C(=O)N[C@@H](c4ccccc4)[C@H](O)c4ccccc4)ccc3oc2c1 ZINC000103228870 JK Annotated Bother O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl ZINC000103229619 JK Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229624 JK Annotated Anodyne COc1cc(-c2nnc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3C)o2)cc(OC)c1OC ZINC000103229657 JK Annotated Anodyne COc1cc(-c2nn(-c3ccccc3)c(C)c2-c2nnc(-c3ccccc3)o2)cc(OC)c1OC ZINC000103229693 JK Annotated Anodyne CO[C@H](c1ccccc1OC(F)(F)F)[C@H]1C[C@H]1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1 ZINC000103229944 JK Annotated Anodyne CO[C@H](c1ccccc1OC(F)(F)F)[C@H]1C[C@@H]1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1 ZINC000103229947 JK Annotated Anodyne CO[C@H](c1ccccc1OC(F)(F)F)[C@@H]1C[C@H]1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1 ZINC000103229950 JK Annotated Anodyne CO[C@H](c1ccccc1OC(F)(F)F)[C@@H]1C[C@@H]1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1 ZINC000103229952 JK Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000103230097 JK Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000103230100 JK Annotated Anodyne Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(F)cc2)cc1 ZINC000103230108 JK Annotated Anodyne Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(F)cc2)cc1 ZINC000103230109 JK Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000103230120 JK Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000103230122 JK Annotated Anodyne Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@@H]3c2ccc(F)cc2)cc1 ZINC000103230130 JK Annotated Anodyne Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@H]3c2ccc(F)cc2)cc1 ZINC000103230132 JK Annotated Anodyne Clc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)cc1 ZINC000103230134 JK Annotated Anodyne Clc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000103230136 JK Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000103230148 JK Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000103230151 JK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000103230163 JK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)cc1 ZINC000103230165 JK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(C)cc4)[C@@H](c4ccc(C)cc4)N23)cc1 ZINC000103230177 JK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(C)cc4)[C@H](c4ccc(C)cc4)N23)cc1 ZINC000103230179 JK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000103230189 JK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000103230192 JK Annotated Anodyne COc1ccc(-c2cn3nc(-c4ccc(NCc5ccc(F)cc5F)c([N+](=O)[O-])c4)sc3n2)cc1 ZINC000103230630 JK Annotated Bother COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccccc3)N1[C@@H]2c1ccccc1OC ZINC000103231049 JK Annotated Anodyne COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccccc3)N1[C@H]2c1ccccc1OC ZINC000103231051 JK Annotated Anodyne CCCCCCCCCCC[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231548 JK Annotated Mild CCCCCCCCCCC[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231550 JK Annotated Mild FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000103231626 JK Annotated Anodyne FC(F)(F)c1ccc(N(c2cncnc2)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000103231646 JK Annotated Anodyne CCOc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCCc1ccccn1 ZINC000103231877 JK Annotated Anodyne COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCc5ccccn5)cn4c32)cc1 ZINC000103232343 JK Annotated Bother COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCc5ccncc5)cn4c32)cc1 ZINC000103232347 JK Annotated Bother FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000103232452 JK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)cc1 ZINC000103232464 JK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2ccc(C(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)o1 ZINC000103233332 JK Annotated Mild NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103234461 JK Annotated Anodyne C[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103234480 JK Annotated Anodyne C[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103234482 JK Annotated Anodyne C[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(OC(F)(F)F)cc2)c(Cl)o1 ZINC000103234486 JK Annotated Anodyne C[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(OC(F)(F)F)cc2)c(Cl)o1 ZINC000103234490 JK Annotated Anodyne CC(C)(Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Br)o1 ZINC000103234502 JK Annotated Anodyne CC[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Br)o1 ZINC000103234505 JK Annotated Anodyne CC[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(Cl)cc2)c(Br)o1 ZINC000103234506 JK Annotated Anodyne Cc1ccc(C(=O)CN2C(=O)S/C(=C\C3=C(Cl)c4cc(C)c(C)cc4CCC3)C2=O)cc1 ZINC000103234622 JK Annotated Anodyne COc1ccc(C(=O)CN2C(=O)S/C(=C\C3=C(Cl)c4cc(C)c(C)cc4CCC3)C2=O)cc1 ZINC000103234626 JK Annotated Anodyne Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)c2)c1 ZINC000103234683 JK Annotated Anodyne Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1 ZINC000103234687 JK Annotated Anodyne COc1cc(NS(=O)(=O)c2c(F)ccc(C(F)(F)F)c2Cl)ccc1-n1cnc(Cl)c1 ZINC000103235438 JK Annotated Anodyne CCCCCCCCCCCCCC(=O)OC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O ZINC000103236152 JK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O ZINC000103236154 JK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000103236511 JK Annotated Anodyne Cc1ccccc1/N=C/c1ccc(/C=C/C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000103237440 JK Annotated Mild Cc1cccc(/N=C/c2ccc(/C=C/C(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc2)c1 ZINC000103237442 JK Annotated Mild Cc1ccc(/N=C/c2ccc(/C=C/C(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000103237444 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2ccccc2F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237446 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2cccc(F)c2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237448 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2ccc(F)cc2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237451 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237455 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237457 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/Cc2ccccc2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237459 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237462 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2ccccc2O)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237463 JK Annotated Mild O=C(/C=C/c1ccc(/C=N/Cc2cccs2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237470 JK Annotated Mild Cc1ccc([S@](=O)c2ccccc2Cc2c(-c3ccccc3)nn(CC(=O)O)c2C)cc1C ZINC000103237961 JK Annotated Anodyne Cc1ccc([S@@](=O)c2ccccc2Cc2c(-c3ccccc3)nn(CC(=O)O)c2C)cc1C ZINC000103237965 JK Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)NC1=S ZINC000103238033 JK Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)NC1=S ZINC000103238035 JK Annotated Anodyne C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc(-n2c(C)ccc2C)cc1 ZINC000103238074 JK Annotated Reactive Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)cc1 ZINC000103238185 JK Annotated Anodyne Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000103238187 JK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC4(C(C)C)CC4)ccc3C)cn12 ZINC000103238486 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(N=C4Sc5ccccc5N42)C(=O)c2ccccc2C3=O)c1 ZINC000103238747 JK Annotated Mild COc1ccc(OC)c([C@H]2C3=C(N=C4Sc5ccccc5N42)C(=O)c2ccccc2C3=O)c1 ZINC000103238749 JK Annotated Mild COc1cc([C@@H]2C3=C(N=C4Sc5ccccc5N42)C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000103238750 JK Annotated Mild COc1cc([C@H]2C3=C(N=C4Sc5ccccc5N42)C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000103238752 JK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@H](c1ccc(Cl)cc1Cl)N1C(=N2)Sc2ccccc21 ZINC000103238762 JK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccc(Cl)cc1Cl)N1C(=N2)Sc2ccccc21 ZINC000103238765 JK Annotated Mild Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccccc1Cl)NC(N)=N2 ZINC000103238799 JK Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccccc1Cl)NC(N)=N2 ZINC000103238801 JK Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccc(Cl)cc1)NC(N)=N2 ZINC000103238803 JK Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccc(Cl)cc1)NC(N)=N2 ZINC000103238805 JK Annotated Anodyne COc1ccc([C@H]2NC(N)=Nc3c2c(C)nn3-c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000103238823 JK Annotated Anodyne COc1ccc([C@@H]2NC(N)=Nc3c2c(C)nn3-c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000103238824 JK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1C=C(CO)[C@@H]2CC[C@]3([C@H](CCCO)/C(=C(/C)C=O)CC[C@]3(C)O)[C@@H]2O1 ZINC000103239284 JK Annotated Reactive COc1cc(/C=C/c2cc(O)c(O)c(CC=C(C)C)c2)c(C/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000103239307 JK Annotated Clean COc1cc(/C=C/c2ccc(OC)c(O)c2CC=C(C)C)c(C/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000103239309 JK Annotated Anodyne O=C(Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3s2)cc1=O)c1ccccc1 ZINC000103240480 JK Annotated Anodyne CCC(CC)C(=O)Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3s2)cc1=O ZINC000103240483 JK Annotated Anodyne CC(C)(C)C(=O)Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3s2)cc1=O ZINC000103240487 JK Annotated Anodyne O=C(Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3o2)cc1=O)c1ccccc1 ZINC000103240490 JK Annotated Anodyne CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2ccc(O)cc2)C1=O ZINC000103240694 JK Annotated Mild CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2c[nH]c3ccccc23)C1=O ZINC000103240699 JK Annotated Mild COCCC/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C#CC(=O)O1 ZINC000103240916 JK Annotated Mild CCN(CC)CCOc1ccc(CN2Cc3ccccc3OC[C@@H]2Cc2ccc(OC)cc2)cc1 ZINC000103241354 JK Annotated Anodyne COC/C=C/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C#CC(=O)O1 ZINC000103241756 JK Annotated Mild Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c12 ZINC000103241925 JK Annotated Anodyne Nc1c(C(=O)N2CCc3sccc3C2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103241957 JK Annotated Anodyne C/C(=N\NC(=O)c1ccncc1)c1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1O ZINC000103242085 JK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OCC ZINC000103242516 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](O)C(C)(C)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000103242524 JK Annotated Mild CCOC(=O)C(C)(C)Oc1ccc(N(CCC(C)C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000103243944 JK Annotated Anodyne CCOCCN(C(=O)Nc1nc2ccccc2s1)c1ccc(OC(C)(C)C(=O)OCC)cc1 ZINC000103243947 JK Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(N(CC=C(C)C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000103243951 JK Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(N(CC2CCCC2)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000103243955 JK Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(N(Cc2ccco2)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000103243960 JK Annotated Anodyne COc1ccccc1-c1cnc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1C ZINC000103244489 JK Annotated Mild COc1ccc(N[C@H](c2ccc(OC(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1OC ZINC000103244840 JK Annotated Anodyne COc1ccc(N[C@@H](c2ccc(OC(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1OC ZINC000103244842 JK Annotated Anodyne COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@H]1c1ccccc1 ZINC000103245141 JK Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@H]1c1ccccc1 ZINC000103245143 JK Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@@H]1c1ccccc1 ZINC000103245144 JK Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@@H]1c1ccccc1 ZINC000103245146 JK Annotated Mild C=CCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12 ZINC000103245341 JK Annotated Mild CCCCOP(=O)(OCCCC)[C@H](Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000103246212 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000103246215 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000103246229 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000103246233 JK Annotated Anodyne O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000103246250 JK Annotated Anodyne O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000103246252 JK Annotated Anodyne CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000103246766 JK Annotated Anodyne O=C(CSC(c1ccc(Br)cc1)c1ccc(Br)cc1)NCC1CC1 ZINC000103246770 JK Annotated Anodyne CC(C)N(C(=O)c1ccc(Br)cc1F)c1ccc(Oc2ccccc2)cc1C(=O)O ZINC000103247480 JK Annotated Anodyne Brc1ccccc1-n1cc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)nn1 ZINC000103247833 JK Annotated Bother Brc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 ZINC000103247835 JK Annotated Bother Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCCC1 ZINC000103247960 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000103247961 JK Annotated Anodyne C=C(C(=O)OCc1cn(Cc2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248170 JK Annotated Mild C=C(C(=O)NCc1cn(Cc2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248205 JK Annotated Mild CC(C)N(C(=O)c1ccc(Br)cc1F)c1cc(Oc2ccccc2)ccc1C(=O)O ZINC000103248392 JK Annotated Anodyne COc1ccc(-c2nc(SCc3ccccc3)sc2-c2ccc(F)cc2)c(OC)c1OC ZINC000103248685 JK Annotated Anodyne COc1ccc(-c2nc(SCc3ccccc3)sc2-c2ccc(Cl)cc2)c(OC)c1OC ZINC000103248687 JK Annotated Anodyne Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3c(Cl)nc4ccccc4c3Cl)c2cc1F ZINC000103249818 JK Annotated Anodyne Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cnc4ccccc4c3Cl)c2cc1F ZINC000103249820 JK Annotated Anodyne Cc1ccc2nc(Cl)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc(C)c(F)cc43)cc2c1 ZINC000103249823 JK Annotated Anodyne COc1ccc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc(C)c(F)cc43)c(Cl)nc2c1 ZINC000103249825 JK Annotated Anodyne Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccc(F)cc4nc3Cl)c2cc1F ZINC000103249827 JK Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4ccc(-c5cnco5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250505 JK Annotated Anodyne Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(CO)c2c1OC(C)(C)OC2 ZINC000103251263 JK Annotated Reactive c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)s3)[nH]c2cc1C1=NCCCN1 ZINC000103251400 JK Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1cccc(Cl)c1)NC(N)=N2 ZINC000103251740 JK Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1cccc(Cl)c1)NC(N)=N2 ZINC000103251742 JK Annotated Anodyne Nc1cc2c(=O)c(C(=O)OCc3ccc(Cl)cc3)cn(Cc3ccc(Cl)cc3)c2cc1Cl ZINC000103251824 JK Annotated Anodyne CC(C)(C)[C@H]1CN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 ZINC000103254464 JK Annotated Anodyne CC(C)(C)[C@@H]1CN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 ZINC000103254467 JK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(O)c(CC3CCCCC3)c2)cc1CC1CCCCC1 ZINC000103257590 JK Annotated Anodyne CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(COC[C@H](C)[C@@H](O)CCC(C)C)cc1 ZINC000103258410 JK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)O/C1=C\c1cccc(Cl)c1 ZINC000103259302 JK Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccccc1Br ZINC000103259309 JK Annotated Anodyne COc1ccccc1C1=C(Br)C(=O)N(CC(C)C)[C@@]1(O)Cc1ccc(C(F)(F)F)cc1 ZINC000103259315 JK Annotated Anodyne COc1ccccc1C1=C(Br)C(=O)N(CC(C)C)[C@]1(O)Cc1ccc(C(F)(F)F)cc1 ZINC000103259316 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)[C@]1(O)Cc1cccc(Cl)c1 ZINC000103259326 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)[C@@]1(O)Cc1cccc(Cl)c1 ZINC000103259328 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)[C@]1(O)Cc1ccccc1Cl ZINC000103259329 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)[C@@]1(O)Cc1ccccc1Cl ZINC000103259331 JK Annotated Anodyne COc1ccccc1C1=C(Br)C(=O)N(CC(C)C)/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000103259342 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C\c1cccc(Cl)c1 ZINC000103259351 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C\c1ccccc1Cl ZINC000103259355 JK Annotated Anodyne Cc1cc(-c2nnc(N[C@H]3CCC[C@@H](O)C3)o2)nc2c(C(C)(C)C)cc(NCC(F)(F)F)cc12 ZINC000103259495 JK Annotated Anodyne Cc1cc(-c2nnc(N[C@@H]3CCC[C@H](O)C3)o2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 ZINC000103259497 JK Annotated Anodyne Cc1cc(-c2nnc(N[C@@H]3CCC[C@H](O)C3)o2)nc2c(C(C)(C)C)cc(NCC(F)(F)F)cc12 ZINC000103259500 JK Annotated Anodyne Cc1cc(-c2nnc(N[C@@H]3C[C@@](O)(C(F)F)C3)o2)nc2c(C(C)(C)C)cc(NCC(F)(F)F)cc12 ZINC000103259535 JK Annotated Anodyne CCOC(=O)c1sc2c(c1C#CCO[C@H](c1cccs1)c1cccnc1Cl)CCC2 ZINC000103259552 JK Annotated Mild CCOC(=O)c1sc2c(c1C#CCO[C@@H](c1cccs1)c1cccnc1Cl)CCC2 ZINC000103259555 JK Annotated Mild Clc1ncccc1[C@H](OCC#Cc1ccc(I)cc1)c1cccs1 ZINC000103259564 JK Annotated Mild Clc1ncccc1[C@@H](OCC#Cc1ccc(I)cc1)c1cccs1 ZINC000103259567 JK Annotated Mild Cc1cc(C)cc(Oc2cc(Nc3ccc(C#N)cc3)[nH]c(=O)c2I)c1 ZINC000103259676 JK Annotated Mild Brc1ccc2cc(-c3ccc(-c4cc5ccc(Br)cc5[nH]4)s3)[nH]c2c1 ZINC000103259925 JK Annotated Anodyne Brc1ccc2cc(-c3cc4cc(Br)c(Br)cc4[nH]3)[nH]c2c1 ZINC000103259957 JK Annotated Anodyne Brc1ccc2[nH]c(-c3cc4cc(Br)c(Br)cc4[nH]3)cc2c1 ZINC000103259961 JK Annotated Anodyne Cc1nc2cccnc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](COCc1ccc(F)cc1)c1ccccc1 ZINC000103260354 JK Annotated Anodyne CCOC(=O)c1c(C#CCO[C@H](c2cccs2)c2cccnc2Cl)sc2c1CCCC2 ZINC000103260392 JK Annotated Mild CCOC(=O)c1c(C#CCO[C@@H](c2cccs2)c2cccnc2Cl)sc2c1CCCC2 ZINC000103260395 JK Annotated Mild Cc1ccc(N(C(=O)c2ccccc2)[C@H](C(=O)NC(C)(C)C)c2cc(=O)cc(-c3ccccc3)o2)cc1 ZINC000103261032 JK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2)[C@@H](C(=O)NC(C)(C)C)c2cc(=O)cc(-c3ccccc3)o2)cc1 ZINC000103261034 JK Annotated Anodyne CCCCCCCCCCn1cc(Cn2nc(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)nn1 ZINC000103261093 JK Annotated Mild CCCCCCCCn1cc(Cn2nc(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)nn1 ZINC000103261095 JK Annotated Mild Nc1nn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261104 JK Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2n1 ZINC000103261201 JK Annotated Anodyne COc1cccc(/C=C2/C(c3cc(Cl)ccc3OC)=C(Br)C(=O)N2CC(C)C)c1 ZINC000103262029 JK Annotated Anodyne COc1ccccc1C1=C(Br)C(=O)N(CC(C)C)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000103262032 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C/c1cccc(Cl)c1 ZINC000103262040 JK Annotated Anodyne COc1ccc(C)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C/c1ccccc1Cl ZINC000103262042 JK Annotated Anodyne COc1cccc(/C=C2\C(c3cc(Cl)ccc3OC)=C(Br)C(=O)N2CC(C)C)c1 ZINC000103262048 JK Annotated Anodyne Cc1cc(C)c(Nc2ccc(CC[C@H]3CC[C@@H]4C[C@H](c5ccccc5)NC(=N)N34)cc2)c(C)c1 ZINC000103262118 JK Annotated Anodyne Cc1cc(C)c(Nc2cccc(CC[C@H]3CC[C@@H]4C[C@H](c5ccccc5)NC(=N)N34)c2)c(C)c1 ZINC000103262120 JK Annotated Anodyne Cc1cc(C)c(Nc2ccccc2CC[C@H]2CC[C@@H]3C[C@H](c4ccccc4)NC(=N)N23)c(C)c1 ZINC000103262125 JK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(Cc3ccccc3)S(C)(=O)=O)c(C3CC3)cc12 ZINC000103262404 JK Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@@H](N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2)CC1 ZINC000103263399 JK Annotated Anodyne Brc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1 ZINC000103263968 JK Annotated Anodyne Cc1cnc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1 ZINC000103264078 JK Annotated Anodyne Cc1cnc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1 ZINC000103264079 JK Annotated Anodyne O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000103264254 JK Annotated Clean O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000103264256 JK Annotated Clean O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2cc(Br)cs2)C1=O ZINC000103264261 JK Annotated Anodyne O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2cc(Br)cs2)C1=O ZINC000103264263 JK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccc(-c4ccc5[nH]ccc5c4)cc3)cc12 ZINC000103264408 JK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103265677 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3ccc4ccccc4n3)c2=O)c1 ZINC000103265918 JK Annotated Mild CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000103266320 JK Annotated Clean COc1cc(N(C)Cc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc(OC)c1OC ZINC000103266360 JK Annotated Clean CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000103266380 JK Annotated Clean Cc1ccc(-c2n[nH]c3nc4c(c(-c5ccc([N+](=O)[O-])cc5)c23)C(=O)C(=O)c2ccccc2-4)cc1 ZINC000103266867 JK Annotated Clean CC1(C)CCC2=C(C1=O)C(c1c[nH]c3ccc(Br)cc13)C1=C(CCC(C)(C)C1=O)N2 ZINC000103267273 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c[nH]c2ccc(Br)cc12 ZINC000103267276 JK Annotated Mild CC1(C)CCC2=C(C1=O)C(c1c[nH]c3cc(Br)ccc13)C1=C(CCC(C)(C)C1=O)N2 ZINC000103267280 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c[nH]c2cc(Br)ccc12 ZINC000103267282 JK Annotated Mild CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC/C(=N/O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267451 JK Annotated Mild O=c1c([C@H](Nc2ccccc2Br)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103267729 JK Annotated Anodyne O=c1c([C@@H](Nc2ccccc2Br)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103267730 JK Annotated Anodyne CCCCSCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000103267735 JK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1CN(Cc1ccccc1)C(=O)c1ccccc1 ZINC000103267802 JK Annotated Anodyne CC(C)=CCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCC=C(C)C)cc3O)C2=O)c(O)c1 ZINC000103267854 JK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](/C1=C/C[C@H]1[C@]3(C)CCC(=O)C(C)(C)O[C@H]3CC[C@@]1(C)O)C(C)(C)CC[C@]2(C)O ZINC000103268124 JK Annotated Anodyne CC1=CC[C@H]2[C@@H]([C@@H]1CC[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]1(C)O)C(C)(C)CC[C@]2(C)O ZINC000103268130 JK Annotated Anodyne C[C@H]1C(=O)C[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103268134 JK Annotated Anodyne CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@](C)(C/C=C/C(C)(C)O)[C@H](O)CC1 ZINC000103268137 JK Annotated Anodyne CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@@H]3C(CO)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CCC1=O ZINC000103268139 JK Annotated Anodyne CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@@H]2[C@H](CC1=O)[C@@](C)(O)CCC2(C)C ZINC000103268141 JK Annotated Mild CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CCC1=O ZINC000103268152 JK Annotated Reactive CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CC[C@@H]1O ZINC000103268153 JK Annotated Reactive C[C@@H]1C(=O)C[C@H]2[C@@H](/C1=C/C[C@H]1[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]1(C)O)C(C)(C)CC[C@]2(C)O ZINC000103268156 JK Annotated Anodyne O=S(=O)(Nc1nc2ccccc2s1)c1ccc(NCc2ccc(Br)cc2O)cc1 ZINC000103268214 JK Annotated Clean COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(C)[nH]c2ccc(Br)cc12 ZINC000103268432 JK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(C)[nH]c2c(Br)cccc12 ZINC000103268450 JK Annotated Anodyne COc1c(C(C)(C)C)cc(-c2cc(F)c[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268741 JK Annotated Anodyne CC(C)(C)c1cc(-c2cc(F)c[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc2c1 ZINC000103268743 JK Annotated Anodyne COc1c(C(C)(C)C)cc(-c2ccc(C)[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268755 JK Annotated Anodyne Fc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)no4)cc-3n2)c1F ZINC000103268802 JK Annotated Anodyne FC(F)(F)c1ccc(-c2cc(Cn3cc4nc(-c5cccs5)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000103268824 JK Annotated Anodyne Fc1cccc(-c2nc3cnn(CCCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc-3n2)c1F ZINC000103268835 JK Annotated Mild CO[C@@H]1[C@@H](OS(C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000103268984 JK Annotated Anodyne COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)c4ccccc4)[C@@H]2CC[C@@]1(C)C3 ZINC000103269712 JK Annotated Anodyne CCCCCCCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](OCOC)[C@@](C)(CC[C@@H]21)C3 ZINC000103269717 JK Annotated Mild COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)COc4ccccc4)[C@@H]2CC[C@@]1(C)C3 ZINC000103269721 JK Annotated Anodyne COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)Nc4ccccc4)[C@@H]2CC[C@@]1(C)C3 ZINC000103269725 JK Annotated Anodyne COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)NCc4ccccc4)[C@@H]2CC[C@@]1(C)C3 ZINC000103269732 JK Annotated Anodyne COc1ccc(/C=C2\CCCC3=C(c4ccc(OC)c(OC)c4)Nc4ccccc4N=C32)cc1OC ZINC000103270115 JK Annotated Anodyne COc1ccc(/C=C2\CCCC3=C(c4ccc(OC)cc4)Nc4cc(C)c(C)cc4N=C32)cc1 ZINC000103270125 JK Annotated Anodyne CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000103270487 JK Annotated Mild O=C(Nc1ccc(F)c(-c2nc3cc(-c4cncc(N5CCCC5)c4)cnc3[nH]2)c1)N1CCCC1 ZINC000103270903 JK Annotated Anodyne CC1=NN(c2cc(Cl)ccc2Cl)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271832 JK Annotated Clean CC1=NN(c2cc(Cl)ccc2Cl)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271835 JK Annotated Clean CC1=NN(c2ccccc2Cl)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271837 JK Annotated Clean CC1=NN(c2ccccc2Cl)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271839 JK Annotated Clean CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271841 JK Annotated Clean CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271843 JK Annotated Clean CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271845 JK Annotated Clean CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271847 JK Annotated Clean CC(=O)Oc1ccc(OC(C)=O)c2cc(CCc3nc4cc(Cl)c(Cl)cc4[nH]3)ccc12 ZINC000103271859 JK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1OC2 ZINC000103271953 JK Annotated Anodyne O=C1c2cc(OCCC3CCOCC3)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 ZINC000103271955 JK Annotated Anodyne O=C(O)c1ccc(-n2nc3c(=O)n(-c4ccccc4)nc(-c4ccccc4)c3c2-c2ccccc2)cc1 ZINC000103272345 JK Annotated Anodyne O=S(=O)(Cl)c1ccc(Sc2nnc(Nc3ccc(Br)cc3)s2)cc1 ZINC000103272774 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Sc2nnc(Nc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000103273042 JK Annotated Unstable N#CSc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000103273104 JK Annotated Reactive Cc1ccc(C(=O)/C=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)cc1 ZINC000103274610 JK Annotated Mild Cc1cc(C)c(C(=O)/C=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)c(C)c1 ZINC000103274613 JK Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3ccc(F)cc3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274684 JK Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274689 JK Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3cccc(Cl)c3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274694 JK Annotated Mild CO/N=C(/c1ccc(-c2ccccc2)cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1 ZINC000103274824 JK Annotated Mild C[S@](=O)c1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000103275006 JK Annotated Bother C[S@@](=O)c1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000103275008 JK Annotated Bother C=C(C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000103275503 JK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)[nH]c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Br ZINC000103275568 JK Annotated Mild COc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccc(C)cc4)c3C#N)cc2c1 ZINC000103275756 JK Annotated Mild CO/N=C(/c1ccc(Cl)cc1)c1ccccc1COc1ncc(C(F)(F)F)cc1Cl ZINC000103276087 JK Annotated Mild CO/N=C(/c1ccc(Br)cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1 ZINC000103276199 JK Annotated Mild CO/N=C(/c1ccc(C(F)(F)F)cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1 ZINC000103276203 JK Annotated Mild CO/N=C(/c1ccc(OC(F)(F)F)cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1 ZINC000103276206 JK Annotated Mild CO/N=C(/c1ccc(Oc2ccccc2)cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1 ZINC000103276259 JK Annotated Mild CC[n+]1c(-c2ccccc2)c2c(/N=N/c3cccc(C(=N)N)c3)c(N)ccc2c2ccc(N)cc21 ZINC000103276470 JK Annotated Clean CC(C)C(=O)c1ccc(-n2nc(C(=O)C(C)C)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1 ZINC000103276906 JK Annotated Anodyne CN(C[C@@H]1CCc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1)C(=S)NCCc1ccccc1 ZINC000103276941 JK Annotated Anodyne CN(C[C@@H]1CCc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCCC1 ZINC000103276943 JK Annotated Anodyne CN(C[C@@H]1CCc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1 ZINC000103276946 JK Annotated Anodyne CC1CCC(NC(=O)N(C)C[C@@H]2CCc3ccccc3[C@@H]2Oc2ccc(C(F)(F)F)cc2)CC1 ZINC000103276950 JK Annotated Anodyne O=C(CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1)Nc1ccc(Cl)cc1 ZINC000103276974 JK Annotated Anodyne Cc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccc(Cl)cc4)c3C#N)cc2c1 ZINC000103277039 JK Annotated Mild COc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccc(Cl)cc4)c3C#N)cc2c1 ZINC000103277046 JK Annotated Mild CN(C)c1ccc(-c2nnc(-n3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4c3=O)o2)cc1 ZINC000103277418 JK Annotated Anodyne Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(Nc2ccccc2)c1-c1nc2ccccc2s1 ZINC000103277842 JK Annotated Anodyne Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(Nc2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000103277845 JK Annotated Clean Clc1ccc(-c2ccc(-c3cc4c5c(c3)[C@@H]3CNC[C@@H]3N5CCCS4)cc2)c(Cl)c1 ZINC000103277932 JK Annotated Anodyne N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cc2cc(Cl)ccc2nc1Cl ZINC000103278622 JK Annotated Mild Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4cc(Cl)ccc4nc3Cl)c2C#N)cc1 ZINC000103278625 JK Annotated Mild Cc1ccc2cc(-c3c(C#N)c(N)nc(Sc4ccc(Cl)cc4)c3C#N)c(Cl)nc2c1 ZINC000103278629 JK Annotated Mild O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000103278668 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1nc(F)c(C(F)(F)F)cc1Cl ZINC000103278720 JK Annotated Mild Clc1ccc(-c2n[nH]cc2-c2nn3c(COc4ccc5ccccc5c4)nnc3s2)cc1 ZINC000103278755 JK Annotated Anodyne CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103278972 JK Annotated Reactive CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103278974 JK Annotated Reactive N#C/N=C(\NCCc1ccc(C#N)cc1)N/C(Cc1c(Cl)cccc1Cl)=N\c1ccccc1 ZINC000103279140 JK Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103279299 JK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103279302 JK Annotated Anodyne CCCCCCCCCCCCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000103279379 JK Annotated Mild CCCCCCCCCCCCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000103279382 JK Annotated Mild CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(C#N)cc2)CC1 ZINC000103279512 JK Annotated Mild COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(C(F)(F)F)cc2)cc1 ZINC000103279678 JK Annotated Anodyne Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000103279711 JK Annotated Anodyne O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000103280160 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Cl)cc1C(F)(F)F ZINC000103280245 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1C(F)(F)F ZINC000103280252 JK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cnc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-] ZINC000103280258 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1cc(C(F)(F)F)c(Cl)cn1 ZINC000103280330 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1nc(C(F)(F)F)c(Cl)cc1Cl ZINC000103280332 JK Annotated Bother Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1cc(Cl)c(Cl)cc1Cl ZINC000103280654 JK Annotated Anodyne N#Cc1c(-c2ccccc2)cc(N2CCN(c3ccccc3F)CC2)n2c1nc1ccc(Cl)cc12 ZINC000103281218 JK Annotated Mild COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(Cl)cc2Cl)cc1O ZINC000103282294 JK Annotated Anodyne Clc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000103282307 JK Annotated Mild CCOC(=O)c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 ZINC000103282323 JK Annotated Bother COc1ccc(CN(CCc2ccc(Br)cc2)Cc2cccc(Cl)c2)cc1O ZINC000103282451 JK Annotated Anodyne COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(Cl)c(Cl)c2)cc1O ZINC000103282613 JK Annotated Anodyne O=C(N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000103282857 JK Annotated Reactive COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C(F)F ZINC000103283095 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C(F)F ZINC000103283097 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cccc(-c4ccc(C(=O)N(C)C)cc4)c3)cc2)ccn1 ZINC000103283552 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cccc(-c4ccc(C(=O)N(C)C)cc4)c3)cc2)ccn1 ZINC000103283554 JK Annotated Anodyne Cc1cc(-c2ccc(N(C)C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103283568 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)n3)cc2)ccn1 ZINC000103283584 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)n3)cc2)ccn1 ZINC000103283587 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103283591 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103283593 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](CC(C)C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103283596 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103283598 JK Annotated Anodyne C=Cc1cc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103283636 JK Annotated Anodyne C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000103283698 JK Annotated Anodyne O=[N+]([O-])c1c(Cl)c(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103284034 JK Annotated Bother O=C(/C=C/c1ccccc1Cl)c1ccc(N2C(=O)C(Br)=C(Br)C2=O)cc1 ZINC000103284090 JK Annotated Mild COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(Cl)cc2)cc1O ZINC000103284689 JK Annotated Anodyne C[C@@H]1/C(=N\OCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000103285023 JK Annotated Mild C[C@@H]1/C(=N\OCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000103285027 JK Annotated Mild N#C/C(=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1)c1nc2ccccc2s1 ZINC000103285069 JK Annotated Reactive O=C(O)CN(Cc1ccccc1)c1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000103285769 JK Annotated Clean O=C(O)C[C@H](CC(=O)c1ccccc1)c1ccc(OC(c2ccccc2)c2ccccc2)cc1 ZINC000103285824 JK Annotated Anodyne O=C(O)C[C@@H](CC(=O)c1ccccc1)c1ccc(OC(c2ccccc2)c2ccccc2)cc1 ZINC000103285827 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccncc2)nc1N1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000103285834 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccncc2)nc1N1CCC(NCc2cccc(C(F)(F)F)c2)CC1 ZINC000103285836 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000103285856 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000103285861 JK Annotated Anodyne CCn1c2cc(=N)ccc-2c2ccc(/N=N/Nc3cccc(C(=N)N)c3)cc2c1-c1ccccc1 ZINC000103286001 JK Annotated Clean N=C1S/C(=C\c2ccccc2)C(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000103286068 JK Annotated Anodyne N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000103286070 JK Annotated Bother N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000103286076 JK Annotated Bother Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)o2)nn1-c1cc(Cl)c(Cl)cc1Cl ZINC000103286451 JK Annotated Anodyne O=C1S/C(=C\c2sc(N3CCCCC3)nc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000103286838 JK Annotated Anodyne Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 ZINC000103286930 JK Annotated Reactive Cc1ccc([C@@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 ZINC000103286932 JK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3)c3c2NC(=O)[C@H](c2ccccc2)N=C3)CC1 ZINC000103287167 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3)c3c2NC(=O)[C@H](c2ccccc2)NC3)CC1 ZINC000103287172 JK Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c1)C(=O)CCC2 ZINC000103287332 JK Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c1)C(=O)CCC2 ZINC000103287334 JK Annotated Anodyne CCOC(=O)c1cc2cc(-c3c(C(=O)OC)c(C)nc4c3C(=O)CCC4)cc([C@H](C)CC)c2oc1=O ZINC000103287336 JK Annotated Anodyne CCOC(=O)c1cc2cc(-c3c(C(=O)OC)c(C)nc4c3C(=O)CCC4)cc([C@@H](C)CC)c2oc1=O ZINC000103287338 JK Annotated Anodyne CCOC(=O)CCc1sc(NC(=O)CSCCCc2ccccc2)nc1/C=C/c1ccccc1 ZINC000103288018 JK Annotated Anodyne O=C1S/C(=C\c2sc(N3CCCCC3)nc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000103288416 JK Annotated Anodyne CCN(CC)C(=S)Sc1nc(Nc2cccc(C)c2)nc(SC(=S)N(CC)CC)n1 ZINC000103289931 JK Annotated Anodyne Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3ccccc3)n2)c1 ZINC000103289933 JK Annotated Anodyne Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3ccc(Cl)cc3)n2)c1 ZINC000103289935 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103290225 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 ZINC000103290227 JK Annotated Anodyne COc1cc(NC(=O)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1 ZINC000103290235 JK Annotated Anodyne C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1cccc(OC)c21 ZINC000103290437 JK Annotated Mild C/C(=N\NC(=O)c1sc(=S)n(-c2ccccc2)c1N)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291493 JK Annotated Reactive CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2c3ccc(OC)cc3OC(C)(C)[C@@H]2c2ccccc2)cc1 ZINC000103291731 JK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc([C@@H]2c3ccc(OC)cc3OC(C)(C)[C@@H]2c2ccccc2)cc1 ZINC000103291734 JK Annotated Anodyne CC1(C)OC[C@@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)cc4F)cc2OC3)O1 ZINC000103292963 JK Annotated Anodyne CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)cc4F)cc2OC3)O1 ZINC000103292966 JK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2c3ccc(OC)cc3OC(C)(C)[C@H]2c2ccccc2)cc1 ZINC000103293144 JK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc([C@@H]2c3ccc(OC)cc3OC(C)(C)[C@H]2c2ccccc2)cc1 ZINC000103293146 JK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc([C@H]2c3ccc(OC)cc3OC(C)(C)[C@@H]2c2ccccc2)cc1 ZINC000103293159 JK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc([C@H]2c3ccc(OC)cc3OC(C)(C)[C@@H]2c2ccccc2)cc1 ZINC000103293163 JK Annotated Anodyne O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000103293317 JK Annotated Reactive COC(=O)N(OC)c1ccccc1CO/N=C(\OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103293662 JK Annotated Mild Cc1cccc(NC(=S)Sc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)c1 ZINC000103293873 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cccc(-c4ccc(NC(C)C)nc4)c3)cc2)ccn1 ZINC000103294184 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cccc(-c4ccc(NC(C)C)nc4)c3)cc2)ccn1 ZINC000103294186 JK Annotated Anodyne FC(F)(F)c1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000103294211 JK Annotated Anodyne FC(F)(F)c1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000103294213 JK Annotated Anodyne Clc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1Cl ZINC000103294224 JK Annotated Anodyne Clc1cc(Cl)cc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000103294226 JK Annotated Anodyne O=C(c1oc(C2CCCCC2)nc1-c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000103294263 JK Annotated Anodyne COC(=O)N(OC)c1ccccc1CO/N=C(\SC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103295059 JK Annotated Mild Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3ccccc3C)n2)c1 ZINC000103295140 JK Annotated Anodyne Cc1ccc(NC(=S)Sc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1 ZINC000103295185 JK Annotated Anodyne COc1ccccc1NC(=S)Sc1nc(Nc2cccc(C)c2)nc(Nc2cccc(C)c2)n1 ZINC000103295189 JK Annotated Anodyne CC(C)Oc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000103295544 JK Annotated Bother O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3Cl)ccc21)Nc1cccc(Cl)c1 ZINC000103296086 JK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)nn(-c2ccccc2)c1NCCCN=C=S ZINC000103296228 JK Annotated Reactive COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000103296723 JK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000103296724 JK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000103296726 JK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000103296728 JK Annotated Anodyne CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000103296818 JK Annotated Anodyne CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000103296821 JK Annotated Anodyne Cc1c2c(nn1-c1ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103296884 JK Annotated Mild Nc1nccc(-c2cn(Cc3c4ccccc4cc4ccccc34)c3ccc(Br)cc23)n1 ZINC000103297235 JK Annotated Bother OC[C@H](O)CN1[C@H](CCc2ccc(OC(F)F)cc2)CCC[C@@H]1CCc1ccc(OC(F)F)cc1 ZINC000103297284 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=S)Nc1ccc(F)cc1 ZINC000103298464 JK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=S)Nc1ccc(F)cc1 ZINC000103298470 JK Annotated Mild CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=S)Nc1cccc(F)c1 ZINC000103298477 JK Annotated Mild Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccccc3Cl)c12 ZINC000103299555 JK Annotated Bother COc1ccc(-c2c3ccc4ccccc4c3nc3c2c(C)nc2c4ccccc4ccc32)cc1 ZINC000103299557 JK Annotated Bother Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccccc3S)c12 ZINC000103299568 JK Annotated Bother Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cccc4ccccc34)c12 ZINC000103299571 JK Annotated Bother Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cc(O)nc4ccccc34)c12 ZINC000103299575 JK Annotated Bother O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)cc2c1Nc1ccccc1O2 ZINC000103299688 JK Annotated Bother CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCCCC)c2c(c1)OC(C)(C)OC2=O ZINC000103299748 JK Annotated Anodyne Clc1ccc2[nH]c3c(c2c1)CCc1c-3noc1-c1cc2c(ccc3ccccc32)nc1Cl ZINC000103300035 JK Annotated Bother Cc1ccc2[nH]c3c(ccc4c(-c5cc6c(ccc7ccccc76)nc5Cl)nc(N)nc43)c2c1 ZINC000103300124 JK Annotated Bother Nc1nc(-c2cc3c(ccc4ccccc43)nc2Cl)c2ccc3c4cc(Cl)ccc4[nH]c3c2n1 ZINC000103300127 JK Annotated Bother O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1ccccc1Br ZINC000103300178 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnccc2-c2cccc3ccccc23)c(Br)c1 ZINC000103300182 JK Annotated Anodyne CC(=O)c1ccc(NC(=O)CSc2nnccc2-c2cccc3ccccc23)c(Br)c1 ZINC000103300186 JK Annotated Anodyne COC(=O)[C@H](CCSC)N(C)C(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000103301042 JK Annotated Mild CCOC(=O)CSCCNC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000103301052 JK Annotated Mild CC(C)Sc1sc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301062 JK Annotated Mild CC(C)Sc1sc(C(=O)NCc2cccc3ccccc23)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301069 JK Annotated Mild CC[C@@H](C)Sc1sc(C(=O)N[C@@H](CCSC)C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301088 JK Annotated Mild CC[C@H](C)Sc1sc(C(=O)N[C@@H](CCSC)C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301090 JK Annotated Mild FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5nc(C(F)(F)F)ncc5c4)n23)cc1 ZINC000103302918 JK Annotated Anodyne CCN(CC)c1ncc(OCCc2ccc(F)c(F)c2)n2c(-c3ccc(OC(F)F)cc3)nnc12 ZINC000103303041 JK Annotated Anodyne N#Cc1cc(C(F)(F)F)ccc1N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000103303285 JK Annotated Mild N#Cc1cc(C(F)(F)F)ccc1N1CCC(N(c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000103303289 JK Annotated Mild FC(F)(F)c1ccc(N2CCC(N(c3ccc(C(F)(F)F)cc3)c3cncnc3)CC2)cc1 ZINC000103303313 JK Annotated Anodyne FC(F)(F)c1ccc(N(c2cncnc2)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000103303315 JK Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(C(F)(F)F)c4)n23)cc1 ZINC000103303374 JK Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(S(F)(F)(F)(F)F)cc4)n23)cc1 ZINC000103303404 JK Annotated Reactive Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nnc2cncc(Oc3ccc(Cl)c(Cl)c3)n12 ZINC000103303413 JK Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5ccc(C(F)(F)F)nc5c4)n23)cc1 ZINC000103303431 JK Annotated Anodyne CC1=CC(C)(C)Oc2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc21 ZINC000103303437 JK Annotated Anodyne O=C(OCc1ccccc1)/C(=C(\O)c1ccccc1Br)c1ccc(-c2ccccc2)cn1 ZINC000103344741 JK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000103520869 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000103520871 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000103520997 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000103520999 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000103521001 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000103521003 JK Annotated Mild CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000103521172 JK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000103521175 JK Annotated Anodyne O=[N+]([O-])c1ccc2nc(/C=C(\O)c3ccc(Cl)cc3)c(/C=C(\O)c3ccc(Cl)cc3)nc2c1 ZINC000103521673 JK Annotated Clean CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000103523684 JK Annotated Clean CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000103523688 JK Annotated Clean CCOCC[C@@H]1CCC[C@@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@@H]2C=C[C@]4(CC#CC[C@@]31C)CCC[C@]41CN21 ZINC000103524335 JK Annotated Mild in-vitro biogenic CCOCC[C@@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21CN2C[C@]24CCC[C@H]4CC#CC[C@@]31C ZINC000103524339 JK Annotated Mild in-vitro biogenic CC1=C2O[C@]3(O)C[C@@H]2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000103524816 JK Annotated Mild C[C@]12CCSSC[C@@H](N=C(N)N)CC[C@H]3CSSCC[C@@H]4CC[C@@H]1CC1=C3C(=O)C[C@@]142 ZINC000103525259 JK Annotated Reactive in-vitro biogenic CC[C@H]1c2cc(c3ccccc3c2)/C=C/[C@H](CC)CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)c1c2 ZINC000103529747 JK Annotated Mild in-vitro biogenic CC[C@H]1c2cc(c3ccccc3c2)CC[C@@H](CC)CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)c1c2 ZINC000103529752 JK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@@H]2CC[C@H]1Cc1cc(cc3ccccc13)Cc1cc(cc(OC)c1O)/C=C/C(=O)CC2=O ZINC000103529774 JK Annotated Mild in-vitro biogenic CC[C@H]1/C=C/c2cc(cc3ccccc23)Cc2cc(cc(OC)c2O)/C=C/C(=O)CC(=O)CC1 ZINC000103529780 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c([N+]2=CC3=NC=CC3=C2C2CCCCC2)c1 ZINC000103529789 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c([N+]2=CC3=NC=CC3=C2CCC(C)C)c1 ZINC000103529795 JK Annotated Mild in-vitro biogenic CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccc(Br)cc1 ZINC000103531232 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccc(Br)cc1 ZINC000103531235 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000103531274 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000103531278 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(OC)cc1OC ZINC000103531353 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(OC)cc1OC ZINC000103531359 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4cccnc4)nc(O)c32)c1 ZINC000103531367 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4cccnc4)nc(O)c32)c1 ZINC000103531372 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(OC)cc1 ZINC000103531434 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(OC)cc1 ZINC000103531438 JK Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)cc1OC ZINC000103531481 JK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC(=O)NCc4ccccc4)nc(O)c32)cc1 ZINC000103531654 JK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC(=O)NCc4ccccc4)nc(O)c32)cc1 ZINC000103531661 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3C)nn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000103531669 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103531672 JK Annotated Anodyne CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=CC3=C2CCC(C)C)c1 ZINC000103532189 JK Annotated Anodyne in-vitro biogenic CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccc(C(=O)O)cc3)nn21 ZINC000103532638 JK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccc(C(=O)O)cc3)nn21 ZINC000103532643 JK Annotated Anodyne COc1c(O)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533312 JK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000103533342 JK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@H](Cc2ccccc2)c2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533375 JK Annotated Anodyne in-vitro biogenic COc1c(OCCc2ccccc2)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533409 JK Annotated Anodyne in-vitro biogenic Cc1ccc(CN2c3ccsc3C(O)=C(/C=N/Cc3ccccc3Cl)S2(=O)=O)cc1 ZINC000103536900 JK Annotated Mild Cc1ccc(CN2c3ccsc3C(O)=C(/C=N/CCc3c[nH]c4ccccc34)S2(=O)=O)cc1 ZINC000103537036 JK Annotated Mild O=S1(=O)C(/C=N/CCc2c[nH]c3ccccc23)=C(O)c2sccc2N1Cc1cccc(F)c1 ZINC000103537232 JK Annotated Mild O=S1(=O)C(/C=N/Cc2cccs2)=C(O)c2sccc2N1Cc1ccc(Cl)cc1 ZINC000103537266 JK Annotated Mild CC1=C(C(=O)OCc2ccccc2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000103538343 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000103538349 JK Annotated Anodyne CC1(C)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(F)c(Br)c3)C2=C(O)C1 ZINC000103539190 JK Annotated Anodyne CC1(C)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc(F)c(Br)c3)C2=C(O)C1 ZINC000103539197 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000103539448 JK Annotated Reactive in-vitro biogenic CC1=C(C(=O)N2CCCCC2)[C@H](c2cc(Br)ccc2F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103539808 JK Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@@H](c2cc(Br)ccc2F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103539811 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)ccc1OCc1ccccc1 ZINC000103539816 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)ccc1OCc1ccccc1 ZINC000103539823 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)ccc1O ZINC000103540141 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)ccc1O ZINC000103540146 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1OC ZINC000103540191 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1OC ZINC000103540194 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103540205 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103540208 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 ZINC000103540228 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 ZINC000103540231 JK Annotated Anodyne NC(=O)Cc1cccc(-n2[nH]c(-c3cccs3)c/c2=N\C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000103540236 JK Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCC ZINC000103540552 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCC ZINC000103540558 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCC ZINC000103540562 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCC ZINC000103540567 JK Annotated Mild CCOc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC)cc1OC ZINC000103540592 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC)cc1OC ZINC000103540598 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC)cc1OC ZINC000103540600 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC)cc1OC ZINC000103540605 JK Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1OCC ZINC000103540649 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1OCC ZINC000103540652 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1OCC ZINC000103540656 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1OCC ZINC000103540660 JK Annotated Mild CCSc1sc(CC)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccnc1 ZINC000103540736 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccnc1 ZINC000103540739 JK Annotated Anodyne CCSc1sc(CC)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cc(C)ccn1 ZINC000103540764 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cc(C)ccn1 ZINC000103540769 JK Annotated Anodyne CC(=O)OC/C1=C\[C@H]2[C@@H](c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C ZINC000103541301 JK Annotated Mild in-vitro biogenic CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1coc2ccccc2c1=O ZINC000103541397 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000103541400 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1coc2ccccc2c1=O ZINC000103541403 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000103541406 JK Annotated Mild CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C ZINC000103541618 JK Annotated Mild in-vitro biogenic COc1cc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N3)cc(OC)c1OC ZINC000103541821 JK Annotated Anodyne COc1cc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N3)cc(OC)c1OC ZINC000103541825 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1OC ZINC000103541905 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1OC ZINC000103541909 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC[C@@H]3CCCO3)[C@H](c3ccccc3F)C2=C(O)C1 ZINC000103542482 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC[C@@H]3CCCO3)[C@@H](c3ccccc3F)C2=C(O)C1 ZINC000103542484 JK Annotated Anodyne COc1cccc([C@@H]2CC3=NC(C)=C(C(=O)OCCOC(C)C)[C@H](c4ccc(C)s4)C3=C(O)C2)c1 ZINC000103542499 JK Annotated Anodyne COc1cccc([C@@H]2CC3=NC(C)=C(C(=O)OCCOC(C)C)[C@@H](c4ccc(C)s4)C3=C(O)C2)c1 ZINC000103542505 JK Annotated Anodyne COc1cccc([C@H]2CC3=NC(C)=C(C(=O)OCCOC(C)C)[C@H](c4ccc(C)s4)C3=C(O)C2)c1 ZINC000103542511 JK Annotated Anodyne COc1cccc([C@H]2CC3=NC(C)=C(C(=O)OCCOC(C)C)[C@@H](c4ccc(C)s4)C3=C(O)C2)c1 ZINC000103542517 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000103542605 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000103542610 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000103542617 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000103542624 JK Annotated Mild COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC3CCCC3)[C@H](c3ccsc3)C2=C(O)C1 ZINC000103542682 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC3CCCC3)[C@@H](c3ccsc3)C2=C(O)C1 ZINC000103542689 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC3CCCC3)[C@H](c3ccsc3)C2=C(O)C1 ZINC000103542696 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC3CCCC3)[C@@H](c3ccsc3)C2=C(O)C1 ZINC000103542702 JK Annotated Anodyne CCOc1ccc([C@H]2CC3=NC(C)=C(C(=O)OCCOC)[C@@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103542711 JK Annotated Anodyne CCOc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OCCOC)[C@@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103542718 JK Annotated Anodyne CCOc1ccc([C@H]2CC3=NC(C)=C(C(=O)OCCOC)[C@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103542725 JK Annotated Anodyne CCOc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OCCOC)[C@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103542733 JK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=NC(C)=C1C(=O)OCCOC ZINC000103542760 JK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=NC(C)=C1C(=O)OCCOC ZINC000103542766 JK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=NC(C)=C1C(=O)OCCOC ZINC000103542770 JK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=NC(C)=C1C(=O)OCCOC ZINC000103542774 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OCCOC(C)C)[C@H](c3ccsc3)C2=C(O)C1 ZINC000103542780 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OCCOC(C)C)[C@@H](c3ccsc3)C2=C(O)C1 ZINC000103542787 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OCCOC(C)C)[C@H](c3ccsc3)C2=C(O)C1 ZINC000103542795 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OCCOC(C)C)[C@@H](c3ccsc3)C2=C(O)C1 ZINC000103542802 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4OC)CC3=NC(C)=C2C(=O)OC(C)C)cc1 ZINC000103542809 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4OC)CC3=NC(C)=C2C(=O)OC(C)C)cc1 ZINC000103542818 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4OC)CC3=NC(C)=C2C(=O)OC(C)C)cc1 ZINC000103542825 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4OC)CC3=NC(C)=C2C(=O)OC(C)C)cc1 ZINC000103542830 JK Annotated Anodyne CCOc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC)[C@@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103542838 JK Annotated Anodyne CCOc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC)[C@@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103542843 JK Annotated Anodyne CCOc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC)[C@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103542848 JK Annotated Anodyne CCOc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC)[C@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103542853 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccc(OC)c1OC ZINC000103542880 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccc(OC)c1OC ZINC000103542885 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccc(OC)c1OC ZINC000103542889 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cccc(OC)c1OC ZINC000103542892 JK Annotated Mild COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3coc4ccccc4c3=O)C2=C(O)C1 ZINC000103542900 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3coc4ccccc4c3=O)C2=C(O)C1 ZINC000103542908 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3coc4ccccc4c3=O)C2=C(O)C1 ZINC000103542911 JK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3coc4ccccc4c3=O)C2=C(O)C1 ZINC000103542914 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000103542922 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000103542927 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000103542931 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000103542937 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccsc1 ZINC000103542959 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccsc1 ZINC000103542966 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccsc1 ZINC000103542972 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccsc1 ZINC000103542977 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(OC)c1OC ZINC000103543021 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000103543025 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(OC)c1OC ZINC000103543030 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000103543035 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)o1 ZINC000103543043 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)o1 ZINC000103543046 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)o1 ZINC000103543052 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)o1 ZINC000103543057 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCc2ccccc2)cc(Br)c1O ZINC000103543535 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCc2ccccc2)cc(Br)c1O ZINC000103543539 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103543544 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103543547 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103543783 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103543787 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103543793 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103543799 JK Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCOc2ccccc2)c1 ZINC000103544263 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCOc2ccccc2)c1 ZINC000103544271 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103544302 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103544306 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103544315 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103544318 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc(OC)c1OC ZINC000103544364 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc(OC)c1OC ZINC000103544369 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCc2ccccc2)c(OC)c1 ZINC000103544377 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCc2ccccc2)c(OC)c1 ZINC000103544380 JK Annotated Anodyne COc1ccc(CO/C(O)=C2/C(C)=NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000103544396 JK Annotated Mild COc1ccc(CO/C(O)=C2/C(C)=NC3=C(C(=O)CCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000103544399 JK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(OC)c(OC)c4)C3=C(O)C2)cc1 ZINC000103544419 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(OC)c(OC)c4)C3=C(O)C2)cc1 ZINC000103544423 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(OC)c(OC)c4)C3=C(O)C2)cc1 ZINC000103544428 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(OC)c(OC)c4)C3=C(O)C2)cc1 ZINC000103544432 JK Annotated Anodyne CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc4c(c3)OCO4)C2)[C@@H]1c1ccc(Br)cc1 ZINC000103544438 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc4c(c3)OCO4)C2)[C@H]1c1ccc(Br)cc1 ZINC000103544442 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)[C@@H]1c1ccc(Br)cc1 ZINC000103544448 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)[C@H]1c1ccc(Br)cc1 ZINC000103544450 JK Annotated Mild CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(O)CCCC2=N1 ZINC000103544467 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(O)CCCC2=N1 ZINC000103544469 JK Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103544484 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103544490 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000103544549 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000103544554 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000103544560 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000103544565 JK Annotated Mild COc1ccc(CO/C(O)=C2\C(C)=NC3=C(C(=O)CCC3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000103544602 JK Annotated Mild COc1ccc(CO/C(O)=C2\C(C)=NC3=C(C(=O)CCC3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000103544606 JK Annotated Mild CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccncc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103544611 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccncc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103544617 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccncc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103544620 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccncc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103544626 JK Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F ZINC000103544633 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F ZINC000103544635 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F ZINC000103544641 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F ZINC000103544647 JK Annotated Mild CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103544945 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103544950 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103544955 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103544961 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000103545021 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000103545030 JK Annotated Anodyne COc1ccc(CO/C(O)=C2\C(C)=NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2coc3ccccc3c2=O)cc1 ZINC000103545080 JK Annotated Mild COc1ccc(CO/C(O)=C2\C(C)=NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2coc3ccccc3c2=O)cc1 ZINC000103545089 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc(Cl)c1O ZINC000103545102 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc(Cl)c1O ZINC000103545117 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc(Cl)c1O ZINC000103545122 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc(Cl)c1O ZINC000103545128 JK Annotated Anodyne C/C(=N\C1CC(C)(C)NC(C)(C)C1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O ZINC000103545134 JK Annotated Mild CCn1c2ccccc2c2cc([C@@H]3C4=C(O)CCCC4=NC(C)=C3C(=O)OCCOC)ccc21 ZINC000103545354 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3C4=C(O)CCCC4=NC(C)=C3C(=O)OCCOC)ccc21 ZINC000103545360 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC(=O)[C@@]5(C)CCC(C)(C)C[C@@H]5[C@]4(C)[C@@H]4O[C@H]4[C@H]23)C1(C)C ZINC000103546261 JK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@]4(C)[C@@H]4O[C@H]4[C@H]23)C1(C)C ZINC000103546266 JK Annotated Anodyne in-vitro biogenic CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@@H]2[C@@H]3C[C@@H]4[C@H](C[C@@H]2N1)C[C@@H](C)C[C@@H]4N(C)C3 ZINC000103551764 JK Annotated Anodyne in-vitro biogenic C/C(C=O)=C1\CC[C@@H](C)[C@@](C)(CC/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@H]2OC2(C)C)[C@@H]1CCCO ZINC000103553801 JK Annotated Reactive in-vitro biogenic C/C(=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@H]1C)CC/C=C(\C)C[C@@H](O)[C@H]1OC1(C)C ZINC000103553808 JK Annotated Reactive in-vitro biogenic C/C(=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O)CC/C=C(\C)C[C@@H](O)[C@H]1OC1(C)C ZINC000103553918 JK Annotated Reactive in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@]34O[C@@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]4CC[C@@H]12 ZINC000103553968 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@]34O[C@@H]3C[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]4CC[C@@H]12 ZINC000103553976 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@]45CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@]4(CC[C@@H]32)O5)C1(C)C ZINC000103554035 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@]45O[C@@H]4C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]5CC[C@@H]32)C1(C)C ZINC000103554039 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000103554973 JK Annotated Anodyne in-vitro biogenic CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000103558089 JK Annotated Mild in-vitro biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000103558884 JK Annotated Reactive in-vitro biogenic CC(C)=CCC[C@@H](C)/C=C/[C@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000103559290 JK Annotated Reactive in-vitro biogenic CC1(C)[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3C[C@@H]3O[C@]321 ZINC000103571173 JK Annotated Anodyne in-vitro biogenic C[C@]12CCC[C@@H]3C[C@]4(O1)[C@@H](C#CCc1cc(O)ccc1C[C@@H]1C[C@@H]4CC4(CCCC4)C1)[C@H](N)[C@@H]32 ZINC000103574160 JK Annotated Mild in-vitro biogenic CO[C@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@H](Cc6cccc(NC[C@H](C)O)c6)C5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575242 JK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6cccc(NC[C@H](C)O)c6)C5)[C@]3(C)[C@@]4(C)[C@@]12O ZINC000103575249 JK Annotated Anodyne in-vitro biogenic CCc1ccc(C[C@H]2CC[C@@]3(CC[C@H]4C[C@]5(C)[C@@]6(O)[C@H](OC)C=C(O)[C@H]6[C@H]4[C@@]53C)C2)c(O)c1 ZINC000103575268 JK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@@H]4C[C@](C)([C@@]12O)[C@@]3(C)[C@@]12C[C@@H]4CC[C@@H]1C[C@@H](Cc1ccccc1O)C2 ZINC000103575291 JK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4C[C@H]5CC[C@@H]6C[C@]5(C[C@H]6Cc5ccccc5O)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575298 JK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@@]6(CC[C@@H](Cc7ccccc7)C6)C5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575316 JK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C[C@H]2[C@H](NC)[C@@H]3C=C[C@@]45[C@@H](O)[C@@H]6C=C[C@@H]7C[C@]6(C)C[C@](O)(C7)[C@]4(C3)C[C@@]25C1 ZINC000103576297 JK Annotated Anodyne in-vitro biogenic O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N3)cc1 ZINC000103579538 JK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N3)cc1 ZINC000103579542 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C=O)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000103580832 JK Annotated Mild in-vitro biogenic C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000103580844 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C\CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000103582276 JK Annotated Reactive in-vitro biogenic CC1(C)CC[C@]23CC[C@]4(C)[C@@](O)([C@H](C[C@@H]5[C@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)OC2=O)[C@H]3C1 ZINC000103585689 JK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@]23CO[C@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000103585704 JK Annotated Anodyne in-vitro biogenic CC(C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(=O)C(C)C)c2O)OC(C)(C)C=C3)C1=O ZINC000103587174 JK Annotated Mild in-vitro biogenic C1=C2CCCC/C=C\C=C\CCN3CC[C@H]4[C@H]1CN(CC/C=C\C=C/CCCCCC[C@H]4C3)C2 ZINC000103625999 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4[nH]nc(O)c4[C@@H](c4cccc(Br)c4)C3=C(O)C2)cc1OC ZINC000103627645 JK Annotated Anodyne OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000103627870 JK Annotated Anodyne OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000103627876 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3[nH]nc(O)c32)cc1 ZINC000103628165 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)c1 ZINC000103633911 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)c1 ZINC000103633916 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2ccc(F)cc2F)cc1 ZINC000103634491 JK Annotated Mild CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2ccc(F)cc2F)cc1 ZINC000103634497 JK Annotated Mild COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000103634727 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000103634733 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103634771 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103634777 JK Annotated Anodyne COc1ccc(CO/C(O)=C2/C(C)=NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2Br)cc1 ZINC000103634915 JK Annotated Anodyne COc1ccc(CO/C(O)=C2/C(C)=NC3=C(C(=O)CCC3)[C@H]2c2ccccc2Br)cc1 ZINC000103634923 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000103636990 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000103636993 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000103636996 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000103637001 JK Annotated Mild CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103637432 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103637440 JK Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3n[nH]c(-c4ccccc4)c32)cc1OC ZINC000103657717 JK Annotated Anodyne COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3n[nH]c(-c4ccccc4)c32)cc1OC ZINC000103657720 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000103660531 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000103660534 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)c1 ZINC000103665484 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)c1 ZINC000103665488 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4[nH]nc(O)c4[C@@H](c4ccccc4C(F)(F)F)C3=C(O)C2)cc1OC ZINC000103667482 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000103669328 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000103669331 JK Annotated Mild O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2ccccc2F)C2=C(O)CCCC2=N3)cc1 ZINC000103672594 JK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2ccccc2F)C2=C(O)CCCC2=N3)cc1 ZINC000103672599 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@H]2N1c1ccccc1 ZINC000103674713 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1C[C@H]2Cn3c(nc4ccccc43)[C@H]2N1c1ccccc1 ZINC000103674718 JK Annotated Anodyne CCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2c(-c3ccccc3)cnc-2c1O ZINC000103687921 JK Annotated Anodyne CCn1c(SC/C(O)=N/c2cccc(Br)c2)nc2c(-c3ccccc3)cnc-2c1O ZINC000103687973 JK Annotated Anodyne CCCCn1c(SC/C(O)=N/c2ccc3c(c2)OCCO3)nc2c(-c3ccccc3)cnc-2c1O ZINC000103688437 JK Annotated Mild CC(=O)c1cccc(/N=C(\O)CSc2nc3c(-c4ccccc4)cnc-3c(O)n2C2CC2)c1 ZINC000103688637 JK Annotated Mild COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1OC ZINC000103697093 JK Annotated Reactive COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1OC ZINC000103697097 JK Annotated Reactive Cc1nc2nc(NCc3ccc(Cl)cc3)nn2c(O)c1CC/C(O)=N/c1cccc2ccccc12 ZINC000103702937 JK Annotated Anodyne Cc1nc2nc(NCc3ccc(Cl)cc3)nn2c(O)c1CC/C(O)=N/c1ccc2ccccc2c1 ZINC000103702987 JK Annotated Anodyne O=C(CSc1nc(=O)cc(O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000103757883 JK Annotated Anodyne CC1=Nc2ccccc2/C1=C/NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000103767259 JK Annotated Bother CCC[C@H](Oc1ccc(Br)cc1)c1nc2c3cc(OC)c(OC)cc3nc(=S)n2[nH]1 ZINC000103819308 JK Annotated Anodyne CCC[C@@H](Oc1ccc(Br)cc1)c1nc2c3cc(OC)c(OC)cc3nc(=S)n2[nH]1 ZINC000103819313 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000103866539 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000103866544 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000103866547 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000103866551 JK Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCc2ccccc2)c1 ZINC000103866642 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCc2ccccc2)c1 ZINC000103866648 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103866669 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103866674 JK Annotated Mild CCCOc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC)cc1OC ZINC000103866679 JK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC)cc1OC ZINC000103866681 JK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC)cc1OC ZINC000103866687 JK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC)cc1OC ZINC000103866695 JK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103866893 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103866898 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000103867052 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1cc(OC)ccc1OC ZINC000103867059 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000103867067 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1cc(OC)ccc1OC ZINC000103867071 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103867078 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103867083 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103867274 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103867279 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Br)cc1 ZINC000103867405 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Br)cc1 ZINC000103867413 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Br)cc1 ZINC000103867420 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Br)cc1 ZINC000103867427 JK Annotated Mild CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000103867477 JK Annotated Mild CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000103867484 JK Annotated Mild CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000103867493 JK Annotated Mild CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000103867500 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000103867505 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000103867510 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000103867516 JK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000103867523 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000103867731 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000103867735 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCc2ccccc2)cc1OC ZINC000103867775 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCc2ccccc2)cc1OC ZINC000103867782 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103867984 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103867990 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCSCC)ccc1O ZINC000103868054 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCSCC)ccc1O ZINC000103868058 JK Annotated Anodyne CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)cc4)CC(O)=C32)cc1 ZINC000103868378 JK Annotated Clean CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)cc4)CC(O)=C32)cc1 ZINC000103868381 JK Annotated Clean CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)cc4)CC(O)=C32)cc1 ZINC000103868384 JK Annotated Clean CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)cc4)CC(O)=C32)cc1 ZINC000103868388 JK Annotated Clean CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000103868795 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000103868800 JK Annotated Mild COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(Br)c4)C3=C(O)C2)cc1 ZINC000103868807 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(Br)c4)C3=C(O)C2)cc1 ZINC000103868814 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(Br)c4)C3=C(O)C2)cc1 ZINC000103868819 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(Br)c4)C3=C(O)C2)cc1 ZINC000103868823 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000103869232 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103869236 JK Annotated Mild CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)cc1OC ZINC000103869910 JK Annotated Anodyne CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)cc1OC ZINC000103869912 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc(OC)c(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103870252 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc(OC)c(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103870257 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc(OC)c(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103870262 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc(OC)c(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103870266 JK Annotated Anodyne CCOc1ccccc1[C@H]1CC2=Nc3ccccc3N(C(=O)CC)[C@@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871186 JK Annotated Anodyne CCOc1ccccc1[C@@H]1CC2=Nc3ccccc3N(C(=O)CC)[C@@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871190 JK Annotated Anodyne CCOc1ccccc1[C@H]1CC2=Nc3ccccc3N(C(=O)CC)[C@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871195 JK Annotated Anodyne CCOc1ccccc1[C@@H]1CC2=Nc3ccccc3N(C(=O)CC)[C@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871200 JK Annotated Anodyne CCCOc1ccccc1[C@H]1CC2=Nc3ccccc3N(C(C)=O)[C@@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871323 JK Annotated Anodyne CCCOc1ccccc1[C@@H]1CC2=Nc3ccccc3N(C(C)=O)[C@@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871330 JK Annotated Anodyne CCCOc1ccccc1[C@H]1CC2=Nc3ccccc3N(C(C)=O)[C@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871335 JK Annotated Anodyne CCCOc1ccccc1[C@@H]1CC2=Nc3ccccc3N(C(C)=O)[C@H](c3ccc(OC)cc3)C2=C(O)C1 ZINC000103871339 JK Annotated Anodyne CCN(CC)c1ccc([C@H]2CC3=Nc4ccccc4N(C(C)=O)[C@@H](c4ccccc4)C3=C(O)C2)cc1 ZINC000103871686 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2CC3=Nc4ccccc4N(C(C)=O)[C@@H](c4ccccc4)C3=C(O)C2)cc1 ZINC000103871692 JK Annotated Anodyne CCN(CC)c1ccc([C@H]2CC3=Nc4ccccc4N(C(C)=O)[C@H](c4ccccc4)C3=C(O)C2)cc1 ZINC000103871696 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2CC3=Nc4ccccc4N(C(C)=O)[C@H](c4ccccc4)C3=C(O)C2)cc1 ZINC000103871701 JK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccc1OC ZINC000103872629 JK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccc1OC ZINC000103872632 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1Br ZINC000103873203 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1Br ZINC000103873210 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1Br ZINC000103873216 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1Br ZINC000103873221 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc2c(c1)OCO2 ZINC000103873303 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 ZINC000103873306 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874139 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874143 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874147 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874150 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874240 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874246 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874253 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874257 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874352 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874356 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874361 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874366 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874451 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874454 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874460 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874463 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccccc3)CC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000103874562 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccccc3)CC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000103874567 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000103874572 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000103874578 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000103874698 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000103874703 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000103874709 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000103874714 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874726 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874731 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874737 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874741 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccc2F)ccc1O ZINC000103874828 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccc2F)ccc1O ZINC000103874835 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccc2F)ccc1O ZINC000103874839 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccc2F)ccc1O ZINC000103874844 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874849 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874854 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874859 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874865 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000103874949 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000103874952 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000103874960 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000103874967 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874975 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103874981 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874989 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103874994 JK Annotated Anodyne CCc1ccc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)s1 ZINC000103875290 JK Annotated Anodyne CCc1ccc([C@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)s1 ZINC000103875298 JK Annotated Anodyne CCc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)s1 ZINC000103875301 JK Annotated Anodyne CCc1ccc([C@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)s1 ZINC000103875306 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000103877087 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000103877090 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000103877094 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000103877098 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2ncccc12 ZINC000103880413 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2ncccc12 ZINC000103880417 JK Annotated Mild CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000103880571 JK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000103880578 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)ccc1OCc1ccccc1 ZINC000103881210 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)ccc1OCc1ccccc1 ZINC000103881216 JK Annotated Anodyne CC1=C2O[C@@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000103884720 JK Annotated Mild COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(Cl)s4)C3=C(O)C2)cc1OC ZINC000103887434 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(Cl)s4)C3=C(O)C2)cc1OC ZINC000103887438 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(Cl)s4)C3=C(O)C2)cc1OC ZINC000103887442 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(Cl)s4)C3=C(O)C2)cc1OC ZINC000103887447 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)ccc1OCc1ccccc1 ZINC000103887786 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)ccc1OCc1ccccc1 ZINC000103887789 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc5ccccc45)C3=C(O)C2)cc1OC ZINC000103888800 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc5ccccc45)C3=C(O)C2)cc1OC ZINC000103888805 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc5ccccc45)C3=C(O)C2)cc1OC ZINC000103888809 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc5ccccc45)C3=C(O)C2)cc1OC ZINC000103888813 JK Annotated Anodyne CCOc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)ccc1OC(=O)C1CC1 ZINC000103889225 JK Annotated Anodyne CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)ccc1OC(=O)C1CC1 ZINC000103889229 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1OC ZINC000103889250 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1OC ZINC000103889256 JK Annotated Anodyne COc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(Br)c1OC ZINC000103889298 JK Annotated Anodyne COc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(Br)c1OC ZINC000103889301 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000103889433 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000103889436 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000103889441 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000103889446 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000103889461 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000103889465 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000103889467 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000103889473 JK Annotated Anodyne Cc1c(Cl)cccc1/N=C(\O)CSc1nc2nncc-2c(O)n1-c1ccccc1Cl ZINC000103893364 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4C)nn32)cc1OC ZINC000103894097 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4C)nn32)cc1OC ZINC000103894102 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4cccc(C)c4)nn32)cc1OC ZINC000103894186 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4cccc(C)c4)nn32)cc1OC ZINC000103894193 JK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N3)cc1 ZINC000103894330 JK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N3)cc1 ZINC000103894333 JK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N3)cc1 ZINC000103894452 JK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N3)cc1 ZINC000103894456 JK Annotated Anodyne CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000103895121 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000103895126 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000103895131 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000103895135 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000103895161 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000103895164 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000103895167 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000103895170 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H](c2cc3c(cc2Cl)OCO3)/C1=C(\O)OCC(C)C ZINC000103895261 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H](c2cc3c(cc2Cl)OCO3)/C1=C(\O)OCC(C)C ZINC000103895265 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2cc3c(cc2Cl)OCO3)/C1=C(\O)OCC(C)C ZINC000103895267 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H](c2cc3c(cc2Cl)OCO3)/C1=C(\O)OCC(C)C ZINC000103895273 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(Br)cc1OC(C)C ZINC000103897369 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(Br)cc1OC(C)C ZINC000103897373 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1Br ZINC000103900583 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1Br ZINC000103900589 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000103902974 JK Annotated Clean CCN(CC)c1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000103902981 JK Annotated Clean CCN(CC)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000103902986 JK Annotated Clean CCN(CC)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000103902992 JK Annotated Clean COc1ccc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2cccc3ccccc23)cc1OC ZINC000103903224 JK Annotated Mild CSc1ccc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103910855 JK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103910862 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000103914860 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000103914862 JK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2ccccc2C(F)(F)F)cc1 ZINC000103914976 JK Annotated Mild CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2ccccc2C(F)(F)F)cc1 ZINC000103914980 JK Annotated Mild CCSc1sc(CC)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1/C(O)=N/c1ccc(F)cc1F ZINC000103915282 JK Annotated Mild CCSc1sc(CC)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1/C(O)=N/c1ccc(F)cc1F ZINC000103915288 JK Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2Br)/C1=C(\O)OCCOC(C)C ZINC000103918356 JK Annotated Anodyne CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccccc2Br)/C1=C(\O)OCCOC(C)C ZINC000103918360 JK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000103918660 JK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000103918668 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2cccc(F)c2)ccc1O ZINC000103920169 JK Annotated Mild COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2cccc(F)c2)ccc1O ZINC000103920174 JK Annotated Mild COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cccc(C(F)(F)F)c2)c1 ZINC000103920210 JK Annotated Mild COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cccc(C(F)(F)F)c2)c1 ZINC000103920214 JK Annotated Mild CC1=C(/C(O)=N/c2cccc(F)c2)[C@H](c2cccs2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103920322 JK Annotated Mild CC1=C(/C(O)=N/c2cccc(F)c2)[C@@H](c2cccs2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103920325 JK Annotated Mild CC1=C(/C(O)=N/c2cccc(F)c2)[C@H](c2cccs2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103920328 JK Annotated Mild CC1=C(/C(O)=N/c2cccc(F)c2)[C@@H](c2cccs2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103920331 JK Annotated Mild CC1=C(/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 ZINC000103920346 JK Annotated Anodyne CC1=C(/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 ZINC000103920348 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)ccc1O ZINC000103920400 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)ccc1O ZINC000103920404 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103920548 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103920551 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103920556 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103920559 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000103920572 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000103920577 JK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2ccccc2F)cc1 ZINC000103920592 JK Annotated Mild CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2ccccc2F)cc1 ZINC000103920596 JK Annotated Mild CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccsc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103920630 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccsc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103920634 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccsc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103920638 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccsc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103920641 JK Annotated Anodyne CC1=C(/C(O)=N/c2c(F)cccc2F)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000103920650 JK Annotated Mild CC1=C(/C(O)=N/c2c(F)cccc2F)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000103920654 JK Annotated Mild CC1=C(/C(O)=N/c2ccccc2C(F)(F)F)[C@H](c2sccc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000103920669 JK Annotated Mild CC1=C(/C(O)=N/c2ccccc2C(F)(F)F)[C@@H](c2sccc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000103920674 JK Annotated Mild COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000103920730 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000103920733 JK Annotated Anodyne COc1cc(OC)c([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc1OC ZINC000103921095 JK Annotated Anodyne COc1cc(OC)c([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc1OC ZINC000103921101 JK Annotated Anodyne COc1cc(OC)c([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc1OC ZINC000103921106 JK Annotated Anodyne COc1cc(OC)c([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc1OC ZINC000103921110 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(/C)CC(=O)[C@H]2[C@]3(C)CCC[C@]3(C)[C@@]23C[C@H](O)C(C)(C)O3)c1 ZINC000103924347 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103927646 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103927651 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4F)C3=C(O)C2)cc(OC)c1OC ZINC000103927981 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4F)C3=C(O)C2)cc(OC)c1OC ZINC000103927986 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4F)C3=C(O)C2)cc(OC)c1OC ZINC000103927990 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4F)C3=C(O)C2)cc(OC)c1OC ZINC000103927993 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccc(OC)c4)CC(O)=C32)cc1 ZINC000103928104 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccc(OC)c4)CC(O)=C32)cc1 ZINC000103928109 JK Annotated Anodyne COC(=O)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccc(OC)c4)CC(O)=C32)cc1 ZINC000103928115 JK Annotated Anodyne COC(=O)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccc(OC)c4)CC(O)=C32)cc1 ZINC000103928119 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4cccc(C)n4)[C@@H](c4ccccn4)C3=C(O)C2)cc1 ZINC000103931413 JK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4cccc(C)n4)[C@@H](c4ccccn4)C3=C(O)C2)cc1 ZINC000103931419 JK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4cccc(C)n4)[C@H](c4ccccn4)C3=C(O)C2)cc1 ZINC000103931424 JK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4cccc(C)n4)[C@H](c4ccccn4)C3=C(O)C2)cc1 ZINC000103931428 JK Annotated Mild COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(O)=C32)cc(OC)c1O ZINC000103931500 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(O)=C32)cc(OC)c1O ZINC000103931503 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(O)=C32)cc(OC)c1O ZINC000103931508 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(O)=C32)cc(OC)c1O ZINC000103931514 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc(Cl)c1O ZINC000103931902 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc(Cl)c1O ZINC000103931905 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(Br)s4)C3=C(O)C2)cc1 ZINC000103934539 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(Br)s4)C3=C(O)C2)cc1 ZINC000103934543 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(Br)s4)C3=C(O)C2)cc1 ZINC000103934547 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(Br)s4)C3=C(O)C2)cc1 ZINC000103934551 JK Annotated Anodyne CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000103934570 JK Annotated Anodyne CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000103934574 JK Annotated Anodyne CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000103934577 JK Annotated Anodyne CCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000103934579 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1 ZINC000103934679 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1 ZINC000103934682 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1 ZINC000103934687 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1 ZINC000103934691 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc5c(c4)OCO5)CC(O)=C32)cc(OC)c1O ZINC000103934844 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc5c(c4)OCO5)CC(O)=C32)cc(OC)c1O ZINC000103934849 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc5c(c4)OCO5)CC(O)=C32)cc(OC)c1O ZINC000103934854 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc5c(c4)OCO5)CC(O)=C32)cc(OC)c1O ZINC000103934857 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC ZINC000103935090 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC ZINC000103935096 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC ZINC000103935101 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC ZINC000103935105 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccc(Cl)cc5c4=O)C3=C(O)C2)cc1 ZINC000103935129 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccc(Cl)cc5c4=O)C3=C(O)C2)cc1 ZINC000103935132 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccc(Cl)cc5c4=O)C3=C(O)C2)cc1 ZINC000103935138 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccc(Cl)cc5c4=O)C3=C(O)C2)cc1 ZINC000103935142 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000103935169 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000103935172 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000103935240 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000103935245 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000103935250 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000103935253 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C(F)(F)F)cc2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000103935437 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(C(F)(F)F)cc2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000103935441 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C(F)(F)F)cc2)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000103935446 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(C(F)(F)F)cc2)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000103935449 JK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000103935473 JK Annotated Anodyne CC(=O)Oc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000103935475 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000103935593 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000103935599 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000103935601 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000103935605 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1OC ZINC000103935648 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1OC ZINC000103935651 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103939811 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103939814 JK Annotated Anodyne CC1=C(/C(O)=N/c2ccc(Br)cn2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103939863 JK Annotated Anodyne CC1=C(/C(O)=N/c2ccc(Br)cn2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103939865 JK Annotated Anodyne O=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)O[C@@H]1c1c[nH]c2ccc(COc3ccccc3)cc12 ZINC000103940215 JK Annotated Mild O=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)O[C@H]1c1c[nH]c2ccc(COc3ccccc3)cc12 ZINC000103940219 JK Annotated Mild CCOc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)cc4)CC(O)=C32)ccc1O ZINC000103940220 JK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)cc4)CC(O)=C32)ccc1O ZINC000103940223 JK Annotated Anodyne CCOc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)cc4)CC(O)=C32)ccc1O ZINC000103940227 JK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)cc4)CC(O)=C32)ccc1O ZINC000103940231 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1 ZINC000103940574 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1 ZINC000103940577 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1 ZINC000103940583 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4coc5ccccc5c4=O)C3=C(O)C2)cc1 ZINC000103940587 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2cccc(C)n2)c1 ZINC000103941471 JK Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2/C(O)=N/c2cccc(C)n2)c1 ZINC000103941475 JK Annotated Mild CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)c(Br)cc1OC ZINC000103941653 JK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)c(Br)cc1OC ZINC000103941660 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000103941688 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000103941694 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc(OC)c1OC ZINC000103941885 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc(OC)c1OC ZINC000103941888 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(Cl)c3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103944727 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(Cl)c3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103944733 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nc(O)c32)cc1 ZINC000103944818 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nc(O)c32)cc1 ZINC000103944821 JK Annotated Anodyne CC(C)CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(Br)cc1 ZINC000103944912 JK Annotated Anodyne CC(C)CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(Br)cc1 ZINC000103944918 JK Annotated Anodyne Cc1ccccc1CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(F)cc1 ZINC000103945005 JK Annotated Anodyne Cc1ccccc1CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(F)cc1 ZINC000103945012 JK Annotated Anodyne O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C31)OCO2 ZINC000103945389 JK Annotated Bother O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C31)OCO2 ZINC000103945393 JK Annotated Bother O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C31)OCO2 ZINC000103945397 JK Annotated Bother O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C31)OCO2 ZINC000103945402 JK Annotated Bother CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(O)=C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000103945489 JK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(O)=C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000103945494 JK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(O)=C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000103945499 JK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(O)=C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000103945502 JK Annotated Anodyne CCC/C=C(/CCC)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000103946637 JK Annotated Anodyne aggregator O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000103947875 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000103947882 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc(Cl)c1O ZINC000103948543 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc(Cl)c1O ZINC000103948546 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc(Cl)c1O ZINC000103948549 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc(Cl)c1O ZINC000103948554 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000103948609 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000103948616 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000103948624 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000103948629 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000103948796 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000103948801 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1OC ZINC000103949176 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1OC ZINC000103949181 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3cccc(O)c3)C2=C(O)C1 ZINC000103949391 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3cccc(O)c3)C2=C(O)C1 ZINC000103949395 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(Cl)c3)nn2[C@H]1c1ccc(F)cc1 ZINC000103950473 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(Cl)c3)nn2[C@@H]1c1ccc(F)cc1 ZINC000103950475 JK Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2ccccc2)C(N)=C1C#N ZINC000103950482 JK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2ccccc2)C(N)=C1C#N ZINC000103950487 JK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2ccccc2Cl)C(N)=C1C#N ZINC000103950508 JK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2ccccc2Cl)C(N)=C1C#N ZINC000103950511 JK Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N ZINC000103951026 JK Annotated Reactive CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N ZINC000103951030 JK Annotated Reactive CCOP(=O)(OCC)C1=C(N)N(c2ccc(Cl)cc2)C(C)=CC1(C(F)(F)F)C(F)(F)F ZINC000103951054 JK Annotated Anodyne CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 ZINC000103951063 JK Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 ZINC000103951068 JK Annotated Reactive Cc1ccc(C)c2c(/N=N/C(=O)/C(=C\C=C\c3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12 ZINC000103960147 JK Annotated Clean O=C(CCCOc1ccc(Cl)cc1Cl)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103960157 JK Annotated Clean CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1OC ZINC000103960656 JK Annotated Anodyne O=C(COc1ccccc1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000103960766 JK Annotated Clean O=C(COc1cccc(Cl)c1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000103960840 JK Annotated Clean COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@@H]2c1ccc(C)s1 ZINC000103960841 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@H]2c1ccc(C)s1 ZINC000103960849 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@@H]2c1ccc(C)s1 ZINC000103960857 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@H]2c1ccc(C)s1 ZINC000103960863 JK Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 ZINC000103961449 JK Annotated Clean Cc1cc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c(C(C)C)cc1Cl ZINC000103961862 JK Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000103961998 JK Annotated Clean COc1ccc(Br)cc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc3ccccc3n21 ZINC000103964500 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc3ccccc3n21 ZINC000103964504 JK Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000103966478 JK Annotated Clean Cc1cc(Cl)ccc1OCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103969867 JK Annotated Clean CCc1ccc(-n2c(SC/C(O)=N/c3cccc(Cl)c3C)nc3nncc-3c2O)cc1 ZINC000103969940 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)c3ccc(Br)cc3)nc3nncc-3c2O)cc1Cl ZINC000103970391 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3Cl)CC(O)=C21 ZINC000103970509 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3Cl)CC(O)=C21 ZINC000103970513 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3Cl)CC(O)=C21 ZINC000103970517 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3Cl)CC(O)=C21 ZINC000103970522 JK Annotated Anodyne C=CCN(C(=O)CSc1nc2nncc-2c(O)n1-c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103975585 JK Annotated Mild O=C(CNC(=O)C(c1ccccc1)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103977547 JK Annotated Clean CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000103992476 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000103992482 JK Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1Br ZINC000103992734 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1Br ZINC000103992739 JK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992855 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992859 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103993154 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103993157 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000103993507 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000103993512 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc(Cl)c1O ZINC000103993515 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc(Cl)c1O ZINC000103993519 JK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103993555 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103993558 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103993575 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103993581 JK Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)c(OC)c1 ZINC000103993588 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)c(OC)c1 ZINC000103993591 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCc2ccccc2)ccc1O ZINC000103993642 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCc2ccccc2)ccc1O ZINC000103993646 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)c([N+](=O)[O-])cc1OC ZINC000103994151 JK Annotated Bother COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)c([N+](=O)[O-])cc1OC ZINC000103994158 JK Annotated Bother CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103994234 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000103994240 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103994521 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103994526 JK Annotated Mild COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)c(OC)c1OC ZINC000103994769 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)c(OC)c1OC ZINC000103994775 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103994812 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103994818 JK Annotated Mild COc1cc(Br)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1OC ZINC000103994923 JK Annotated Anodyne COc1cc(Br)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1OC ZINC000103994928 JK Annotated Anodyne CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103994967 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103994974 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000103995028 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000103995034 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103995457 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103995462 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103995467 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000103995472 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103995478 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103995484 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103995491 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103995497 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000103996462 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000103996470 JK Annotated Mild CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103997540 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103997546 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103997552 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103997557 JK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000103997680 JK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000103997685 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(OC)c4OC)C3=C(O)C2)cc1 ZINC000103997883 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(OC)c4OC)C3=C(O)C2)cc1 ZINC000103997888 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(OC)c4OC)C3=C(O)C2)cc1 ZINC000103997892 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(OC)c4OC)C3=C(O)C2)cc1 ZINC000103997897 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000103998665 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000103998670 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000103998675 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000103998680 JK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103998895 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103998901 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000103998905 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000103998910 JK Annotated Mild COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c(OC)c1OC ZINC000103999021 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c(OC)c1OC ZINC000103999026 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c(OC)c1OC ZINC000103999031 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c(OC)c1OC ZINC000103999036 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000104002012 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000104002018 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000104002023 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4OC)C3=C(O)C2)cc1OC ZINC000104002028 JK Annotated Anodyne CCOc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)ccc1O ZINC000104003266 JK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)ccc1O ZINC000104003271 JK Annotated Anodyne O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C31)OCO2 ZINC000104003286 JK Annotated Bother O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C31)OCO2 ZINC000104003289 JK Annotated Bother O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C31)OCO2 ZINC000104003293 JK Annotated Bother O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C31)OCO2 ZINC000104003298 JK Annotated Bother COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCOC(C)C)c(OC)c1 ZINC000104003338 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCOC(C)C)c(OC)c1 ZINC000104003342 JK Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000104003431 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000104003438 JK Annotated Mild CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 ZINC000104003872 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 ZINC000104003876 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004003 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004008 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004113 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004117 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004140 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004144 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004204 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004211 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2C)C2=C(O)CCCC2=N1 ZINC000104004218 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2C)C2=C(O)CCCC2=N1 ZINC000104004222 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104004238 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104004243 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104004303 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104004307 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004382 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004385 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000104004814 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000104004818 JK Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2cc3c(cc2Br)OCO3)/C1=C(\O)OC(C)C ZINC000104004925 JK Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2cc3c(cc2Br)OCO3)/C1=C(\O)OC(C)C ZINC000104004929 JK Annotated Mild CC1=C2C(=NC3=C(C(=O)c4ccccc43)[C@H]2c2ccc(Br)cc2)N(c2ccccn2)N1 ZINC000104006280 JK Annotated Mild CC1=C2C(=NC3=C(C(=O)c4ccccc43)[C@@H]2c2ccc(Br)cc2)N(c2ccccn2)N1 ZINC000104006288 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 ZINC000104006560 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 ZINC000104006564 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 ZINC000104006569 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 ZINC000104006573 JK Annotated Anodyne O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104006837 JK Annotated Anodyne O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104006842 JK Annotated Anodyne O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104006846 JK Annotated Anodyne O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104006852 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104007680 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104007685 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104007690 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104007694 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000104008018 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000104008021 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000104008027 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000104008034 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104009153 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104009159 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104009163 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104009167 JK Annotated Mild CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 ZINC000104010173 JK Annotated Reactive CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 ZINC000104010177 JK Annotated Reactive N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1cccs1 ZINC000104010233 JK Annotated Reactive N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1cccs1 ZINC000104010238 JK Annotated Reactive CSc1sc(C)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccn1 ZINC000104010596 JK Annotated Anodyne CSc1sc(C)cc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccn1 ZINC000104010602 JK Annotated Anodyne CSc1sc(C)cc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1cc(C)ccn1 ZINC000104010694 JK Annotated Anodyne CSc1sc(C)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1cc(C)ccn1 ZINC000104010699 JK Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(O)c1 ZINC000104010762 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(O)c1 ZINC000104010766 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(O)c1 ZINC000104010774 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(O)c1 ZINC000104010782 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2F)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104016363 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104016369 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2F)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104016376 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104016382 JK Annotated Anodyne CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000104016390 JK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000104016396 JK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000104016402 JK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000104016408 JK Annotated Mild COc1cc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104016638 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104016644 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104016650 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104016655 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(O)c2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104016663 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104016670 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(O)c2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104016676 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104016683 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C ZINC000104019675 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc(C)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C ZINC000104019683 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C ZINC000104019690 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(C)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C ZINC000104019696 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104019706 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104019712 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104019719 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104019725 JK Annotated Mild CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(C)C)cc3)CC(O)=C2[C@@H]1c1cccs1 ZINC000104019808 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(C)C)cc3)CC(O)=C2[C@@H]1c1cccs1 ZINC000104019817 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(C)C)cc3)CC(O)=C2[C@H]1c1cccs1 ZINC000104019825 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(C)C)cc3)CC(O)=C2[C@H]1c1cccs1 ZINC000104019830 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c(OC)c1OC ZINC000104020825 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c(OC)c1OC ZINC000104020831 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c(OC)c1OC ZINC000104020838 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c(OC)c1OC ZINC000104020846 JK Annotated Anodyne Cc1ccc2oc([C@H]3Nc4ccccc4N=C4C[C@@H](c5cccs5)CC(O)=C43)cc(=O)c2c1 ZINC000104020894 JK Annotated Anodyne Cc1ccc2oc([C@@H]3Nc4ccccc4N=C4C[C@@H](c5cccs5)CC(O)=C43)cc(=O)c2c1 ZINC000104020900 JK Annotated Anodyne Cc1ccc2oc([C@H]3Nc4ccccc4N=C4C[C@H](c5cccs5)CC(O)=C43)cc(=O)c2c1 ZINC000104020906 JK Annotated Anodyne Cc1ccc2oc([C@@H]3Nc4ccccc4N=C4C[C@H](c5cccs5)CC(O)=C43)cc(=O)c2c1 ZINC000104020914 JK Annotated Anodyne CCOc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(Br)c1O ZINC000104021010 JK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(Br)c1O ZINC000104021016 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000104027322 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000104027327 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000104027366 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000104027371 JK Annotated Mild COc1ccc(OC)c([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)c1 ZINC000104027643 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)c1 ZINC000104027648 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104027834 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104027839 JK Annotated Mild COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028097 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028102 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028109 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028113 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccncc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028131 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccncc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028135 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccncc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028140 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccncc4)C3=C(O)C2)cc(OC)c1OC ZINC000104028144 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000104033019 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000104033025 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)cc(OC)c1OC ZINC000104033129 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)cc(OC)c1OC ZINC000104033134 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2cccc(O)c2)/C1=C(\O)OCCOC(C)C ZINC000104033503 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2cccc(O)c2)/C1=C(\O)OCCOC(C)C ZINC000104033508 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2cccc(O)c2)/C1=C(\O)OCCOC(C)C ZINC000104033514 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2cccc(O)c2)/C1=C(\O)OCCOC(C)C ZINC000104033521 JK Annotated Mild COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc(Cl)c1O ZINC000104033554 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc(Cl)c1O ZINC000104033558 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc(Cl)c1O ZINC000104033564 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc(Cl)c1O ZINC000104033569 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104033607 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104033613 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104033618 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104033624 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Cl)OCO3)C[C@@H](c2cccs2)C1 ZINC000104033653 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Cl)OCO3)C[C@@H](c2cccs2)C1 ZINC000104033658 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Cl)OCO3)C[C@H](c2cccs2)C1 ZINC000104033662 JK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Cl)OCO3)C[C@H](c2cccs2)C1 ZINC000104033668 JK Annotated Anodyne CC1=C(C(=O)OC2CCCCCC2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000104033701 JK Annotated Anodyne CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000104033709 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(C)s4)C3=C(O)C2)cc(OC)c1OC ZINC000104033717 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(C)s4)C3=C(O)C2)cc(OC)c1OC ZINC000104033724 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(C)s4)C3=C(O)C2)cc(OC)c1OC ZINC000104033729 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(C)s4)C3=C(O)C2)cc(OC)c1OC ZINC000104033734 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(F)cc2)/C1=C(/O)OCCOC(C)C ZINC000104033782 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(F)cc2)/C1=C(/O)OCCOC(C)C ZINC000104033788 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc(F)cc2)/C1=C(/O)OCCOC(C)C ZINC000104033794 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc(F)cc2)/C1=C(/O)OCCOC(C)C ZINC000104033798 JK Annotated Mild Cc1ccc2occ([C@H]3Nc4ccccc4N=C4C[C@@H](c5cccs5)CC(O)=C43)c(=O)c2c1 ZINC000104033805 JK Annotated Anodyne Cc1ccc2occ([C@@H]3Nc4ccccc4N=C4C[C@@H](c5cccs5)CC(O)=C43)c(=O)c2c1 ZINC000104033811 JK Annotated Anodyne Cc1ccc2occ([C@H]3Nc4ccccc4N=C4C[C@H](c5cccs5)CC(O)=C43)c(=O)c2c1 ZINC000104033817 JK Annotated Anodyne Cc1ccc2occ([C@@H]3Nc4ccccc4N=C4C[C@H](c5cccs5)CC(O)=C43)c(=O)c2c1 ZINC000104033823 JK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000104033862 JK Annotated Bother Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000104033869 JK Annotated Bother Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000104033873 JK Annotated Bother Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 ZINC000104033882 JK Annotated Bother O=c1c([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)coc2ccc(Cl)cc12 ZINC000104034034 JK Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)coc2ccc(Cl)cc12 ZINC000104034041 JK Annotated Anodyne O=c1c([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)coc2ccc(Cl)cc12 ZINC000104034048 JK Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)coc2ccc(Cl)cc12 ZINC000104034053 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O ZINC000104034111 JK Annotated Bother COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O ZINC000104034118 JK Annotated Bother COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O ZINC000104034125 JK Annotated Bother COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O ZINC000104034129 JK Annotated Bother COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc(OC)c1OC ZINC000104034138 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc(OC)c1OC ZINC000104034145 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc(OC)c1OC ZINC000104034152 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc(OC)c1OC ZINC000104034158 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000104036026 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000104036032 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000104038977 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000104038982 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000104039024 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000104039031 JK Annotated Anodyne COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCC(C)C)cc1OC ZINC000104047957 JK Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCC(C)C)cc1OC ZINC000104047964 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000104048123 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000104048127 JK Annotated Anodyne CCCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000104048366 JK Annotated Mild CCCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000104048371 JK Annotated Mild COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104048915 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104048921 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104048927 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000104048931 JK Annotated Anodyne CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1cccs1 ZINC000104049570 JK Annotated Anodyne CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1cccs1 ZINC000104049576 JK Annotated Anodyne CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1cccs1 ZINC000104049583 JK Annotated Anodyne CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1cccs1 ZINC000104049591 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000104053888 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000104053915 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000104053918 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000104053926 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000104053931 JK Annotated Anodyne O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2cccs2)cc1 ZINC000104056385 JK Annotated Bother O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2cccs2)cc1 ZINC000104056389 JK Annotated Bother CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccnc3)C2=C(O)C1 ZINC000104056832 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccnc3)C2=C(O)C1 ZINC000104056838 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3ccncc3)C2=C(O)C1 ZINC000104056869 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3ccncc3)C2=C(O)C1 ZINC000104056874 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccncc4)nn3[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000104060439 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccncc4)nn3[C@H]2c2ccc(Br)cc2)CCC1 ZINC000104060445 JK Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000104060555 JK Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000104060561 JK Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000104060567 JK Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000104060571 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(C(=O)O)cc3)nn2[C@H]1c1ccc(C)cc1 ZINC000104060652 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(C(=O)O)cc3)nn2[C@@H]1c1ccc(C)cc1 ZINC000104060657 JK Annotated Anodyne CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000104070752 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000104070758 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104070798 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104070801 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104070890 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104070893 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc(OC)c1OC ZINC000104070995 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc(OC)c1OC ZINC000104070999 JK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104071210 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104071214 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104071317 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104071321 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc(Br)c1O ZINC000104071427 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc(Br)c1O ZINC000104071431 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc(OC)c1OC ZINC000104071437 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc(OC)c1OC ZINC000104071440 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)c1 ZINC000104071534 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)c1 ZINC000104071538 JK Annotated Anodyne CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104072034 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104072039 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104072081 JK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104072085 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104072377 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104072383 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072670 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072677 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072801 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072805 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072837 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072842 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104072909 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104072913 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc(Br)c1O ZINC000104073292 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc(Br)c1O ZINC000104073295 JK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000104074777 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000104074781 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000104074812 JK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000104074817 JK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104075017 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104075022 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104075027 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104075032 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCC(C)C ZINC000104075357 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCC(C)C ZINC000104075361 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCC(C)C ZINC000104075368 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCC(C)C ZINC000104075372 JK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 ZINC000104075604 JK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 ZINC000104075608 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000104075688 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000104075691 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Br)C2=C(O)CC(C)(C)CC2=N1 ZINC000104075724 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Br)C2=C(O)CC(C)(C)CC2=N1 ZINC000104075728 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Br)C2=C(O)CC(C)(C)CC2=N1 ZINC000104075732 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Br)C2=C(O)CC(C)(C)CC2=N1 ZINC000104075736 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104075746 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104075752 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104075947 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104075953 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000104076548 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000104076552 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000104076556 JK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000104076560 JK Annotated Mild COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)c(OC)c4OC)C3=C(O)C2)cc1 ZINC000104076608 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)c(OC)c4OC)C3=C(O)C2)cc1 ZINC000104076610 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)c(OC)c4OC)C3=C(O)C2)cc1 ZINC000104076614 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)c(OC)c4OC)C3=C(O)C2)cc1 ZINC000104076618 JK Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104076729 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104076731 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104076735 JK Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104076738 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000104076828 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000104076829 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000104076833 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000104076835 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1OC ZINC000104076847 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000104076852 JK Annotated Mild CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000104077165 JK Annotated Mild CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000104077168 JK Annotated Mild CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000104077173 JK Annotated Mild CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000104077177 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1O ZINC000104077195 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1O ZINC000104077200 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1O ZINC000104077204 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1O ZINC000104077206 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104077290 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104077296 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000104077300 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000104077305 JK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000104077324 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000104077328 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000104077332 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 ZINC000104077335 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000104077391 JK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000104077396 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104077402 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104077405 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104077409 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 ZINC000104077414 JK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000104078014 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000104078018 JK Annotated Mild COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1OC ZINC000104078091 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1OC ZINC000104078097 JK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1OC ZINC000104078103 JK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1OC ZINC000104078107 JK Annotated Anodyne CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(Br)s2)/C1=C(\O)OCCOC(C)C ZINC000104078139 JK Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccc(Br)s2)/C1=C(\O)OCCOC(C)C ZINC000104078144 JK Annotated Mild COc1ccc(OC)c([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C32)c1 ZINC000104079674 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C32)c1 ZINC000104079678 JK Annotated Anodyne COc1ccc(OC)c([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C32)c1 ZINC000104079682 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C32)c1 ZINC000104079687 JK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Br)s2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104079855 JK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Br)s2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104079859 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2 ZINC000104080785 JK Annotated Bother O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2 ZINC000104080793 JK Annotated Bother CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081267 JK Annotated Bother CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081271 JK Annotated Bother CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081307 JK Annotated Bother CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081312 JK Annotated Bother CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081372 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081375 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081391 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081395 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081399 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081404 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081431 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccc(Br)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081435 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000104081440 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000104081444 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 ZINC000104081480 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 ZINC000104081485 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081511 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081516 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081539 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104081547 JK Annotated Anodyne COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc(OC)c1O ZINC000104081934 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc(OC)c1O ZINC000104081938 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCSCC)cc(Cl)c1O ZINC000104082973 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCSCC)cc(Cl)c1O ZINC000104082976 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104083661 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104083665 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104083670 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104083674 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)C2=C(O)CCCC2=N1 ZINC000104083677 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(O)CCCC2=N1 ZINC000104083682 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)C2=C(O)CCCC2=N1 ZINC000104083688 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(O)CCCC2=N1 ZINC000104083693 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000104083719 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000104083722 JK Annotated Mild COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc1OC ZINC000104083914 JK Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc1OC ZINC000104083918 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000104084775 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000104084779 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000104084781 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000104084784 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104084796 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104084798 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104084802 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104084806 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104084839 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104084842 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104084844 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104084849 JK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000104084967 JK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000104084971 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cc(C)sc2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104085437 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cc(C)sc2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104085440 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc(C)sc2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104085445 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc(C)sc2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104085448 JK Annotated Anodyne CCSc1sc(CC)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1cccnc1 ZINC000104085584 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1cccnc1 ZINC000104085588 JK Annotated Anodyne CCSc1sc(CC)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccn1 ZINC000104085609 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccn1 ZINC000104085612 JK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F ZINC000104088250 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000104088254 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F ZINC000104088259 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000104088265 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104088430 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104088436 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104088441 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104088444 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104089337 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104089340 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104089343 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104089346 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCCOC(C)C ZINC000104089389 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCCOC(C)C ZINC000104089395 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCCOC(C)C ZINC000104089399 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc3c(c2)OCO3)/C1=C(\O)OCCOC(C)C ZINC000104089402 JK Annotated Mild COc1cc(OC)c([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1OC ZINC000104093633 JK Annotated Anodyne COc1cc(OC)c([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1OC ZINC000104093638 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)c(OC)c1OC ZINC000104093669 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)c(OC)c1OC ZINC000104093676 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104096665 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104096671 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104096675 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104096679 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)OCCOC(C)C ZINC000104096682 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)OCCOC(C)C ZINC000104096687 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)OCCOC(C)C ZINC000104096692 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)OCCOC(C)C ZINC000104096698 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000104096724 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000104096729 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000104096733 JK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000104096736 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc(OC)c1OC ZINC000104096768 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc(OC)c1OC ZINC000104096773 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 ZINC000104096782 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 ZINC000104096789 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 ZINC000104096795 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 ZINC000104096800 JK Annotated Anodyne COc1cccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 ZINC000104096867 JK Annotated Bother COc1cccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 ZINC000104096871 JK Annotated Bother COc1cccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 ZINC000104096876 JK Annotated Bother COc1cccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 ZINC000104096880 JK Annotated Bother CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C)s1 ZINC000104096969 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 ZINC000104096972 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C)s1 ZINC000104096977 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 ZINC000104096981 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104096985 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104096989 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104096994 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104096997 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104097082 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104097086 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104097091 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OCC(C)C)ccc1O ZINC000104097097 JK Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000104097129 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000104097131 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000104097134 JK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000104097138 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)OCCOC(C)C ZINC000104097190 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)OCCOC(C)C ZINC000104097193 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)OCCOC(C)C ZINC000104097196 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)OCCOC(C)C ZINC000104097202 JK Annotated Mild COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)c1 ZINC000104100022 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)c1 ZINC000104100024 JK Annotated Anodyne CO/C(O)=C1\C(C)=NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1 ZINC000104104353 JK Annotated Reactive CO/C(O)=C1\C(C)=NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1 ZINC000104104358 JK Annotated Reactive CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(O)CCCC2=N1 ZINC000104105562 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(O)CCCC2=N1 ZINC000104105565 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000104105948 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000104105952 JK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000104105955 JK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000104105959 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000104106039 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000104106043 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000104106047 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000104106052 JK Annotated Mild COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104106975 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104106978 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104106982 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000104106987 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(F)c4)C3=C(O)C2)cc(OC)c1OC ZINC000104107191 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(F)c4)C3=C(O)C2)cc(OC)c1OC ZINC000104107198 JK Annotated Anodyne COc1cc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(F)c4)C3=C(O)C2)cc(OC)c1OC ZINC000104107203 JK Annotated Anodyne COc1cc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(F)c4)C3=C(O)C2)cc(OC)c1OC ZINC000104107207 JK Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2coc3ccc(Cl)cc3c2=O)C[C@H]1C ZINC000104108248 JK Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2coc3ccc(Cl)cc3c2=O)C[C@@H]1C ZINC000104108251 JK Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2coc3ccc(Cl)cc3c2=O)C[C@H]1C ZINC000104108257 JK Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2coc3ccc(Cl)cc3c2=O)C[C@@H]1C ZINC000104108261 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(C)C)cc1 ZINC000104111022 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000104111027 JK Annotated Mild CC1=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(O)c2[C@H](c2ccncc2)/C1=C(/O)OC(C)C ZINC000104111226 JK Annotated Bother CC1=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(O)c2[C@@H](c2ccncc2)/C1=C(/O)OC(C)C ZINC000104111233 JK Annotated Bother CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000104111383 JK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000104111389 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@@H](c3ccncc3)C2=C(O)C1 ZINC000104111482 JK Annotated Bother CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@H](c3ccncc3)C2=C(O)C1 ZINC000104111487 JK Annotated Bother COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(C)cc1 ZINC000104112514 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(C)cc1 ZINC000104112518 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(C)cc1 ZINC000104112523 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(C)cc1 ZINC000104112529 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000104112558 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000104112565 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000104112571 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(C)s1 ZINC000104112628 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(C)s1 ZINC000104112634 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(C)s1 ZINC000104112637 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(C)s1 ZINC000104112642 JK Annotated Mild CCCOc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000104112659 JK Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000104112664 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(C)s1 ZINC000104112869 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(C)s1 ZINC000104112871 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(C)s1 ZINC000104112878 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(C)s1 ZINC000104112887 JK Annotated Mild CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000104114208 JK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000104114213 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(C(=O)O)cc3)nn2[C@H]1c1ccc(Cl)cc1 ZINC000104116095 JK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(C(=O)O)cc3)nn2[C@@H]1c1ccc(Cl)cc1 ZINC000104116101 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c([C@@H](C)CC)nc2n1 ZINC000104185104 JK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c([C@H](C)CC)nc2n1 ZINC000104185109 JK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CC(C)C)nc2n1 ZINC000104185138 JK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CCCC)nc2n1 ZINC000104185659 JK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(C(C)C)nc2n1 ZINC000104185766 JK Annotated Mild CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@H]1[C@@H](CC[C@H]3C)C1(C)C ZINC000104351632 JK Annotated Anodyne in-man CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@H]1[C@@H](CC[C@@H]3C)C1(C)C ZINC000104351640 JK Annotated Anodyne in-man CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@H]1[C@H](CC[C@H]3C)C1(C)C ZINC000104351646 JK Annotated Anodyne in-man CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@H]1[C@H](CC[C@@H]3C)C1(C)C ZINC000104351650 JK Annotated Anodyne in-man C/C1=C/[C@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000104352020 JK Annotated Anodyne in-man CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000104352360 JK Annotated Anodyne in-man CC1(C)C[C@H]2[C@]3(CO[C@]24CC[C@@H]2[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]2(C)[C@]4(C)C[C@@H]3O)[C@H](O)C1 ZINC000104364449 JK Annotated Anodyne in-man CC1(C)C[C@@H](O)[C@]23CO[C@]4(CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000104364454 JK Annotated Anodyne in-man COC(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@H](C(=O)C(C)C)C1=O ZINC000104368753 JK Annotated Anodyne in-man endogenous CC1=C[C@@H](O)[C@@]2(C)[C@@H](O)C[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C ZINC000104376575 JK Annotated Anodyne in-man CC1=C[C@@H](O)[C@@]2(C)[C@@H](O)C[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000104376578 JK Annotated Anodyne in-man CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000104377517 JK Annotated Mild in-man CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104442448 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104442454 JK Annotated Anodyne C1=N\c2ccc(cc2)-c2ccc(cc2)/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000104522302 JK Annotated Anodyne C1=N/c2ccc(cc2)-c2ccc(cc2)/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000104522309 JK Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N/c1ccc(cc1)/N=C\2 ZINC000104526688 JK Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N/c1ccc(cc1)/N=C/2 ZINC000104526694 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554722 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554729 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554735 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554743 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554819 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554826 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554833 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104554840 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555020 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555024 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555028 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555031 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555086 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555089 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555092 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555096 JK Annotated Anodyne C1=CC=C2NCCCCCC/N=C3/C=CC=CC=C3NCCc3cccc(c3)CC/N=C\2C=C1 ZINC000104585148 JK Annotated Clean C1=CC=C2NCCc3cccc(c3)CC/N=C3\C=CC=CC=C3NCCCCCC/N=C\2C=C1 ZINC000104585151 JK Annotated Clean C1=CC=C2NCCCCCC/N=C3\C=CC=CC=C3NCCc3cccc(c3)CC/N=C\2C=C1 ZINC000104585156 JK Annotated Clean C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104605282 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104605286 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104605291 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104605296 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104605338 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104605344 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104605349 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104605354 JK Annotated Anodyne CC1(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc1o2 ZINC000104682302 JK Annotated Mild CC1(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc1o2 ZINC000104682305 JK Annotated Mild CC1CCOc2ccc(cc2)/C=N\c2ccc(cc2)-c2ccc(cc2)/N=C/c2ccc(cc2)OCC1 ZINC000104684165 JK Annotated Anodyne CC1CCOc2ccc(cc2)/C=N/c2ccc(cc2)-c2ccc(cc2)/N=C/c2ccc(cc2)OCC1 ZINC000104684168 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c1OC ZINC000104689665 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c1OC ZINC000104689669 JK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(C)=O ZINC000104690409 JK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(C)=O ZINC000104690412 JK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(C)=O ZINC000104690417 JK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(C)=O ZINC000104690421 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c(OC)c1 ZINC000104691244 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c(OC)c1 ZINC000104691249 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104691474 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104691476 JK Annotated Anodyne CCn1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cn1 ZINC000104691654 JK Annotated Anodyne CCn1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cn1 ZINC000104691658 JK Annotated Anodyne CCn1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cn1 ZINC000104691660 JK Annotated Anodyne CCn1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cn1 ZINC000104691665 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)cc1 ZINC000104691769 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)cc1 ZINC000104691772 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104691787 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104691789 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 ZINC000104691808 JK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 ZINC000104691811 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000104691895 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000104691902 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000104691913 JK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(O)CCCC2=N1 ZINC000104691921 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)cc1 ZINC000104692457 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)cc1 ZINC000104692462 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c1 ZINC000104692516 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c1 ZINC000104692521 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104692527 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104692532 JK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1 ZINC000104692614 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1 ZINC000104692619 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c1 ZINC000104692621 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c1 ZINC000104692627 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000104692680 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000104692681 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c(OC)c1 ZINC000104692687 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c(OC)c1 ZINC000104692689 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc(OC)c1OC ZINC000104692694 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc(OC)c1OC ZINC000104692698 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)c(Cl)c3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104694197 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)c(Cl)c3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104694202 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)c(Cl)c3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104694206 JK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)c(Cl)c3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104694209 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)ccc1OCc1ccccc1 ZINC000104694416 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)ccc1OCc1ccccc1 ZINC000104694418 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC ZINC000104695304 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC ZINC000104695306 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1OC(C)C ZINC000104695381 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1OC(C)C ZINC000104695384 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c1 ZINC000104696854 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c1 ZINC000104696859 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c1 ZINC000104696883 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c1 ZINC000104696889 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104697098 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104697103 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2F)c1 ZINC000104697119 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2F)c1 ZINC000104697122 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104697234 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104697241 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)cc(OC)c1OC ZINC000104697328 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)cc(OC)c1OC ZINC000104697333 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104697342 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104697348 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)c(OC)c1 ZINC000104697597 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)c(OC)c1 ZINC000104697603 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccs2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104697692 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccs2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104697698 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccs2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104697703 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccs2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104697707 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cnn(C)c2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104699002 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cnn(C)c2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104699006 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cnn(C)c2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104699013 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cnn(C)c2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104699019 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c1 ZINC000104699197 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c1 ZINC000104699200 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c1 ZINC000104699206 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c1 ZINC000104699210 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104699291 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Br)cc2)C2=C(O)CCCC2=N1 ZINC000104699297 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C32)cc1O ZINC000104699321 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C32)cc1O ZINC000104699326 JK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C32)cc1O ZINC000104699332 JK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C32)cc1O ZINC000104699337 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(Br)c1 ZINC000104699744 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(Br)c1 ZINC000104699749 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104699800 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104699808 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)ccc1O ZINC000104699814 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)ccc1O ZINC000104699820 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(Cl)c1 ZINC000104700365 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(Cl)c1 ZINC000104700369 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104700434 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104700441 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104700444 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104700449 JK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104700456 JK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104700461 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc1Br ZINC000104700470 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc1Br ZINC000104700474 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000104700613 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000104700618 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000104700727 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000104700731 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104700755 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104700759 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104700764 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104700768 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000104700772 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000104700778 JK Annotated Anodyne CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cnn(C)c2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104700964 JK Annotated Anodyne CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cnn(C)c2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104700971 JK Annotated Anodyne CC1=C(C(=O)Nc2ncccc2C)[C@H](c2cnn(C)c2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104700977 JK Annotated Anodyne CC1=C(C(=O)Nc2ncccc2C)[C@H](c2cnn(C)c2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104700981 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cn(C)nc2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104701235 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cn(C)nc2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104701242 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cn(C)nc2C)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104701251 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cn(C)nc2C)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104701256 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c(OC)c1 ZINC000104701272 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c(OC)c1 ZINC000104701279 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c(OC)c1 ZINC000104701286 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)Nc2ccccn2)c(OC)c1 ZINC000104701292 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2c(F)cccc2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000104701365 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2c(F)cccc2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000104701369 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104701434 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104701440 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(OC)c1OC ZINC000104701482 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(OC)c1OC ZINC000104701487 JK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1OC ZINC000104701515 JK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1OC ZINC000104701521 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C)ccc1O ZINC000104701575 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C)ccc1O ZINC000104701581 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)ccc1O ZINC000104701662 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2OC)ccc1O ZINC000104701670 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)c1 ZINC000104701907 JK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)c1 ZINC000104701913 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC ZINC000104702449 JK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC ZINC000104702454 JK Annotated Anodyne CCCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccc1OC ZINC000104702464 JK Annotated Anodyne CCCCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccc1OC ZINC000104702469 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc(Br)c1O ZINC000104702493 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc(Br)c1O ZINC000104702502 JK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC ZINC000104702536 JK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1OC ZINC000104702543 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccccc1Br ZINC000104702633 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccccc1Br ZINC000104702636 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000104703068 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000104703073 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104703583 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104703587 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c(OC)c1 ZINC000104703987 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c(OC)c1 ZINC000104703991 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc(OC)c1OC ZINC000104704300 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc(OC)c1OC ZINC000104704303 JK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc(OC)c1OC ZINC000104704306 JK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc(OC)c1OC ZINC000104704310 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000104705603 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000104705607 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1Cl ZINC000104705640 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1Cl ZINC000104705644 JK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c1OC ZINC000104706162 JK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)c1OC ZINC000104706166 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@H](c4cccs4)C3=C(O)C2)cc1 ZINC000104706549 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@@H](c4cccs4)C3=C(O)C2)cc1 ZINC000104706553 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@H](c4cccs4)C3=C(O)C2)cc1 ZINC000104706558 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@@H](c4cccs4)C3=C(O)C2)cc1 ZINC000104706565 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@H](c4cccc(OC)c4)C3=C(O)C2)cc1 ZINC000104706781 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@@H](c4cccc(OC)c4)C3=C(O)C2)cc1 ZINC000104706789 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@H](c4cccc(OC)c4)C3=C(O)C2)cc1 ZINC000104706795 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccccn4)[C@@H](c4cccc(OC)c4)C3=C(O)C2)cc1 ZINC000104706797 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4cccc(C)n4)[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000104706805 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4cccc(C)n4)[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000104706809 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4cccc(C)n4)[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000104706813 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4cccc(C)n4)[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000104706817 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Br)s2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104707032 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Br)s2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104707036 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104707267 JK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104707273 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl ZINC000104707679 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl ZINC000104707685 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cccc(Br)c1 ZINC000104707777 JK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cccc(Br)c1 ZINC000104707782 JK Annotated Anodyne CCN(c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104927651 JK Annotated Anodyne CCN(c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104927656 JK Annotated Anodyne C=C(C)CN(CC)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104927708 JK Annotated Mild C=C(C)CN(CC)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104927711 JK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000104927800 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000104927805 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104927819 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104927823 JK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)C2CCCCC2)n1 ZINC000104927919 JK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)C2CCCCC2)n1 ZINC000104927990 JK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCC#N)Cc2ccccc2)n1 ZINC000104928015 JK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2CCCCC2)n1 ZINC000104928075 JK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCC)CC2CC2)n1 ZINC000104928095 JK Annotated Mild C=C(C)CN(CC)c1nc(NCCCCCCCCCCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104928247 JK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104928256 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104928262 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000104928297 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000104928302 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000104928304 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104928478 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104928485 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCC(C)CC3)n2)cc1 ZINC000104928498 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCC(C)CC3)n2)cc1 ZINC000104928502 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104928517 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104928521 JK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@@H](C)C2)n1 ZINC000104928716 JK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000104928721 JK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000104928727 JK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2CCc3ccccc3C2)n1 ZINC000104928792 JK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 ZINC000104928917 JK Annotated Mild CCCCN(CC)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929074 JK Annotated Anodyne CCCCN(CC)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929077 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000104929094 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000104929097 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929251 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929255 JK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)CCCC)n1 ZINC000104929429 JK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCCC)Cc2ccccc2)n1 ZINC000104929686 JK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)Cc2ccccc2)n1 ZINC000104929696 JK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC(C)C)CC(C)C)n1 ZINC000104929754 JK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000104929770 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000104929775 JK Annotated Anodyne CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC(C)C)CC(C)C)n1 ZINC000104929846 JK Annotated Mild C=CCN(CC=C)c1nc(NCCCCCCCCCCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104929924 JK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104929932 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104929935 JK Annotated Anodyne CCCCCCN(C)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929975 JK Annotated Anodyne CCCCCCN(C)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929982 JK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)Cc2ccccc2)n1 ZINC000104930131 JK Annotated Mild C=CCN(c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104930242 JK Annotated Mild C=CCN(c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104930246 JK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1 ZINC000104930312 JK Annotated Mild CCCCCCCCCCNc1cncc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000104932008 JK Annotated Mild CCCCCCCCCCNc1cncc(Oc2ccc(C)cc2-n2nc3ccccc3n2)n1 ZINC000104932023 JK Annotated Mild CCCCCCCCCCNc1cncc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104932037 JK Annotated Mild Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173034 JK Annotated Anodyne Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173039 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173228 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173232 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)c1 ZINC000105173254 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)c1 ZINC000105173259 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000105173527 JK Annotated Mild Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000105173532 JK Annotated Mild Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)c1 ZINC000105173690 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)c1 ZINC000105173693 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105173841 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105173844 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000105173868 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000105173873 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000105173877 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000105173883 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000105173997 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000105174001 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2)c1 ZINC000105174358 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2)c1 ZINC000105174363 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000105174371 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000105174377 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105174710 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105174713 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000105174732 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000105174735 JK Annotated Anodyne CCCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175052 JK Annotated Bother CCCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175056 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175171 JK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175174 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000105175188 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000105175193 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175220 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175224 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175262 JK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175267 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175314 JK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175318 JK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105175392 JK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105175397 JK Annotated Bother C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N3C[C@H](C)C[C@@H](C)C3)nc1-c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000105175401 JK Annotated Bother CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000105175430 JK Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000105175436 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175908 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175913 JK Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176607 JK Annotated Bother CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176611 JK Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176617 JK Annotated Bother CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176621 JK Annotated Bother CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000105176682 JK Annotated Bother CC1CCN(C(=O)c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000105176688 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105176801 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105176807 JK Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105176902 JK Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105176906 JK Annotated Bother C[C@H]1[C@@H]2C[C@@H](C[C@H]1Nc1ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n1)C2(C)C ZINC000105176911 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)o1 ZINC000105177448 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)o1 ZINC000105177452 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177565 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177568 JK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1Nc1ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n1)C2(C)C ZINC000105177591 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105177595 JK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1Nc1ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n1)C2(C)C ZINC000105177602 JK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105177606 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177621 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177625 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105177662 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105177667 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)C1 ZINC000105178036 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)C1 ZINC000105178039 JK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N3C[C@H](C)C[C@@H](C)C3)nc1-c1ccccc1F)C2(C)C ZINC000105178044 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178108 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178114 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105178242 JK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105178247 JK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178418 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178422 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)C1 ZINC000105178947 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)C1 ZINC000105178953 JK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1Nc1ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n1)C2(C)C ZINC000105178958 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000105178999 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000105179005 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105179095 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105179100 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105179235 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105179243 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105179313 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105179318 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000105180958 JK Annotated Mild CC1CCN(c2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000105180961 JK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105181050 JK Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105181054 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000105181174 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000105181181 JK Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)C1 ZINC000105181264 JK Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)C1 ZINC000105181268 JK Annotated Mild C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N3C[C@H](C)C[C@@H](C)C3)nc1-c1ccc(C#N)cc1)C2(C)C ZINC000105181274 JK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105182411 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105182416 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105182506 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105182514 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105182561 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105182569 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105182702 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105182711 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182728 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182734 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182741 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182745 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183250 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183257 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105184671 JK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105184677 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000105184839 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000105184844 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000105184849 JK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000105184855 JK Annotated Mild C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000105184930 JK Annotated Mild C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000105184936 JK Annotated Mild C[C@H]1[C@@H]2C[C@@H](C[C@H]1Nc1ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n1)C2(C)C ZINC000105184943 JK Annotated Mild CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000105185586 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000105185592 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105185782 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105185788 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000105186251 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000105186255 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105186285 JK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105186288 JK Annotated Mild Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000105186439 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000105186446 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000105189000 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000105189008 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C ZINC000105189053 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C ZINC000105189058 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105189132 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105189136 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccccc3)s2)cc1 ZINC000105189165 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3)s2)cc1 ZINC000105189172 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105190604 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105190609 JK Annotated Bother CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000105190613 JK Annotated Bother CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000105190617 JK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000105190623 JK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000105190627 JK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000105191738 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000105191741 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C ZINC000105191779 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C ZINC000105191782 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105191793 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105191795 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105191829 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105191832 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)nc1-c1ccccc1 ZINC000105193165 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)nc1-c1ccccc1 ZINC000105193169 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105193246 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105193249 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccco3)s2)cc1 ZINC000105193268 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccco3)s2)cc1 ZINC000105193270 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000105194713 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000105194718 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000105194728 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000105194731 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000105196611 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000105196617 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)oc1C ZINC000105196661 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)oc1C ZINC000105196666 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)c1 ZINC000105196671 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)c1 ZINC000105196676 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000105196705 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000105196710 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105198088 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105198093 JK Annotated Bother CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000105198097 JK Annotated Bother CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000105198100 JK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000105198109 JK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000105198115 JK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000105199475 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000105199480 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C ZINC000105199527 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C ZINC000105199531 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105199545 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105199552 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105199595 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105199601 JK Annotated Anodyne Cc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000105201313 JK Annotated Anodyne Cc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000105201318 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105201329 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105201333 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000105201362 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000105201369 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000105201372 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000105201378 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000105203026 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000105203031 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)oc1C ZINC000105203067 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)oc1C ZINC000105203074 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc2ccccc2s1 ZINC000105203084 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc2ccccc2s1 ZINC000105203088 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000105203124 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000105203130 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2CC(C)C)c(C)c1 ZINC000105223470 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2CC(C)C)cc1C ZINC000105223478 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(/C)CC(=O)C[C@]2(C)CCC[C@]2(C)C(=O)CCC(C)(C)O)c1 ZINC000105462342 JK Annotated Anodyne CCN1CCC[C@H](NCc2c3ccccc3c(CN[C@H]3CCCN(CC)C3)c3ccccc23)C1 ZINC000105476547 JK Annotated Bother CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C=C2O ZINC000105477628 JK Annotated Mild CC1=Nc2ccccc2[C@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)C(=O)N1c3ccccc3C[C@@H]12 ZINC000105489241 JK Annotated Anodyne CC1=Nc2ccccc2[C@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)C(=O)N1c3ccccc3C[C@H]12 ZINC000105489246 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@@H]1[C@@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@@H]2O1 ZINC000105494477 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCCCCCCCCC[C@H]23)cc1 ZINC000105505941 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC(C)(C)CC(C)(C)[C@H]4[C@@H]3C2=O)cc1 ZINC000105507607 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@@H]2CC(C)(C)CC(C)(C)[C@@H]32)cc1 ZINC000105507608 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000105511052 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000105515609 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5c(C)cccc45)[C@@H]3C2=O)cc1 ZINC000105515674 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4c(C)cccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000105515679 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(F)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000105515691 JK Annotated Anodyne C[C@@H]1[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 ZINC000105518638 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CC[C@H](C(C)(C)C)C[C@H]12 ZINC000105521811 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)c1C ZINC000105521835 JK Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000105521853 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@]1(C)OC(C)(C)C=CC1=O ZINC000105572038 JK Annotated Mild C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C/CC1 ZINC000105572674 JK Annotated Mild C1=C\CCCC[C@@H]2CN3CCCCCCCCCC[C@H]4C[C@H](CN(CCCCCC/1)C4)[C@H]2CC3 ZINC000105578740 JK Annotated Anodyne Cc1ccc(N2C(=O)C(=O)[C@@H](C(=O)c3ccccc3)[C@H]2c2cccc(F)c2)cc1Br ZINC000105843775 JK Annotated Anodyne Cc1ccc(N2C(=O)C(=O)[C@H](C(=O)c3ccccc3)[C@H]2c2cccc(F)c2)cc1Br ZINC000105843780 JK Annotated Anodyne Cc1ccc(N2C(=O)C(=O)[C@H](C(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000105843783 JK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C=C2O ZINC000106228046 JK Annotated Mild CC(=O)OC(/C=C/c1ccccc1)=C(OC(C)C)/C1=C(/c2ccccc2)SCCCSC1=O ZINC000109164386 JK Annotated Mild Cc1cccc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)n1 ZINC000110667720 JK Annotated Anodyne Cc1cccc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)n1 ZINC000110667723 JK Annotated Anodyne Cc1cccc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)n1 ZINC000110667728 JK Annotated Anodyne Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 ZINC000111440962 JK Annotated Clean Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 ZINC000111440967 JK Annotated Clean Cc1nc2sc3c(c2c(-c2ccc4ncsc4c2)c1[C@@H](OC(C)(C)C)C(=O)O)CCCC3 ZINC000113122855 JK Annotated Anodyne Cc1nc2sc3c(c2c(-c2ccc4ncsc4c2)c1[C@H](OC(C)(C)C)C(=O)O)CCCC3 ZINC000113122858 JK Annotated Anodyne Cc1ccc(-c2c([C@@H](CCCC(F)(F)F)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 ZINC000113123210 JK Annotated Anodyne Cc1ccc(-c2c([C@H](CCCC(F)(F)F)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 ZINC000113123213 JK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(OC(F)(F)F)cc1)CCCC3 ZINC000113123237 JK Annotated Anodyne CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(OC(F)(F)F)cc1)CCCC3 ZINC000113123240 JK Annotated Anodyne Cc1ccc(-c2c([C@@H](CCc3ccccc3)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 ZINC000113123293 JK Annotated Anodyne Cc1ccc(-c2c([C@H](CCc3ccccc3)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 ZINC000113123296 JK Annotated Anodyne CCC[C@H](c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3)[C@@H]1SC(=O)NC1=O ZINC000113123322 JK Annotated Anodyne CCC[C@@H](c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3)[C@@H]1SC(=O)NC1=O ZINC000113123325 JK Annotated Anodyne CCC[C@H](c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3)[C@H]1SC(=O)NC1=O ZINC000113123329 JK Annotated Anodyne CCC[C@@H](c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3)[C@H]1SC(=O)NC1=O ZINC000113123332 JK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000113124393 JK Annotated Anodyne CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000113124396 JK Annotated Anodyne COc1ccc(COCc2cnc(Nc3cccc4[nH]ccc34)c(-c3nc(C)nc4[nH]cnc34)c2)cc1 ZINC000113150953 JK Annotated Anodyne CO/N=C/NC(=O)c1ccc(C2=NO[C@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C ZINC000113164222 JK Annotated Mild in-vitro O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCC[C@@H]31 ZINC000113189302 JK Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCC[C@H]31 ZINC000113189304 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CCCN1CC2 ZINC000113189430 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CCCN1CC2 ZINC000113189431 JK Annotated Anodyne C/C1=C\CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000113189496 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)[C@@H]1CCCN1CC2 ZINC000113191376 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)[C@H]1CCCN1CC2 ZINC000113191378 JK Annotated Anodyne Cc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCN(Cc6ccccc6)CC5)ccc4c3c2)c1 ZINC000113199341 JK Annotated Anodyne NC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc2c1[nH]c1cc(-c3cccnc3)ccc12 ZINC000113201677 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CCC[C@@H](C2)N1 ZINC000113222792 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CCC[C@@H](C2)N1 ZINC000113222795 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CCC[C@H](C2)N1 ZINC000113222797 JK Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CCC[C@H](C2)N1 ZINC000113222798 JK Annotated Anodyne COc1cc2ncc3c(c2cc1/C=C/c1ccsc1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113241013 JK Annotated Anodyne CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000113242787 JK Annotated Reactive C[C@H](NS(=O)(=O)/C=C/c1n[nH]c2c1CCCC[C@@H]2Cc1cccc(F)c1)c1ccccc1 ZINC000113258129 JK Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@H](C(=O)O)c1ccc(F)cc1 ZINC000113391139 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@H](C(=O)O)c1ccc(F)cc1 ZINC000113391142 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cnc2ccccc2c1 ZINC000113391162 JK Annotated Mild COc1cc2ncc3c(c2cc1/C=C/c1ccccc1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113414882 JK Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3Cc3ccc(Cl)cc3)nc2c1 ZINC000113421553 JK Annotated Anodyne Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3Cc3ccc(Cl)cc3)nc2n1 ZINC000113422589 JK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)C(C)(C)C ZINC000113477010 JK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)C(C)(C)C ZINC000113477482 JK Annotated Reactive CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ON=C(C)C ZINC000113477526 JK Annotated Mild CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCCF ZINC000113477849 JK Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2NNC(=O)C(C)(C)C)cc(C(C)(C)C)n1C ZINC000113478170 JK Annotated Reactive CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)C ZINC000113478211 JK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(C)(C)C ZINC000113478303 JK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NN=C(C)C ZINC000113478414 JK Annotated Mild CCCCn1nc(C2(C)CC2)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000113478684 JK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ON=C1CCCC1 ZINC000113478715 JK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNc1ccccn1 ZINC000113478793 JK Annotated Anodyne Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CC1CCC1 ZINC000113478908 JK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000113479166 JK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(C)=O ZINC000113479170 JK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)C(C)C ZINC000113479424 JK Annotated Mild CCCCn1/c(=N\C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)cc(C(C)(C)C)n1C ZINC000113479567 JK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1/N=N/C(C)(C)C ZINC000113479747 JK Annotated Clean CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1ONC(C)(C)C ZINC000113479864 JK Annotated Anodyne CC(C)Cn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000113479890 JK Annotated Anodyne NC1(c2ccc(-c3nc4c(Br)cc(Cl)cn4c3-c3ccccc3)cc2)CCC1 ZINC000113654231 JK Annotated Anodyne COc1cc(COc2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3n2)ccn1 ZINC000113655842 JK Annotated Anodyne Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1-c1ccn[nH]1 ZINC000113657054 JK Annotated Anodyne COc1ccc(COc2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3n2)cn1 ZINC000113658831 JK Annotated Anodyne COc1cncc(-c2cc(C)cn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc23)c1 ZINC000113680181 JK Annotated Anodyne Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1-c1ccc(F)cc1 ZINC000113681691 JK Annotated Anodyne CCCc1ccccc1NC(=O)c1cc(C)nc2cc(-c3ccc(OCC(C)(C)C(=O)O)nc3)ccc12 ZINC000113690481 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CC[C@@H](C(F)(F)F)NC2)c1 ZINC000113916147 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CC[C@@H](C(F)(F)F)NC2)c1 ZINC000113916148 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@@H](C(F)(F)F)NC2)c1 ZINC000113916150 JK Annotated Anodyne NC(=O)c1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1 ZINC000114026226 JK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc(F)cc5)c(Cl)nc4cc3-c3ccccc3)cc2)CCC1 ZINC000114037956 JK Annotated Anodyne COC(=O)c1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1 ZINC000114038245 JK Annotated Anodyne NC(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1 ZINC000114038324 JK Annotated Anodyne Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1cccc(C(N)=O)c1 ZINC000114038544 JK Annotated Anodyne Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(C(N)=O)cc1 ZINC000114039040 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cc(F)c(F)cc1F ZINC000114096409 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC000114096959 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2[nH]ccc12 ZINC000114097413 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2[nH]ccc12 ZINC000114097416 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CC[C@H]1CCCN1Cc1ccccc1 ZINC000114097568 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CC[C@@H]1CCCN1Cc1ccccc1 ZINC000114097570 JK Annotated Anodyne CCc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114097616 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000114097620 JK Annotated Anodyne Cc1ccc(C)c(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114097780 JK Annotated Anodyne Cc1cccc(C)c1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114097850 JK Annotated Anodyne Cc1cccc(C)c1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114097853 JK Annotated Anodyne C[C@@H](CNCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000114097863 JK Annotated Anodyne C[C@H](CNCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000114097864 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000114097879 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000114097893 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1c(F)cc(F)cc1F ZINC000114097977 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3[nH]ccc23)C1 ZINC000114098027 JK Annotated Anodyne COc1cc(F)ccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114098260 JK Annotated Anodyne COc1cc(F)ccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114098262 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(Cl)c1 ZINC000114098655 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(Cl)c1 ZINC000114098658 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccc(F)cc1F ZINC000114098691 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccc(F)cc1F ZINC000114098693 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2cc[nH]c12 ZINC000114098792 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(C(C)C)c1 ZINC000114098857 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(C(C)C)c1 ZINC000114098859 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114098926 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000114099054 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC000114099073 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114099110 JK Annotated Anodyne CCc1c(C)cccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099137 JK Annotated Anodyne CCc1c(C)cccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099138 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2ccccc2)CCS1 ZINC000114099194 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCS1 ZINC000114099196 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2CCN3)C1 ZINC000114099262 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000114099285 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1ccn2C ZINC000114099308 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H](C)CNCc1cccc2c1ccn2C ZINC000114099311 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1F ZINC000114099321 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1F ZINC000114099323 JK Annotated Anodyne Cc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099511 JK Annotated Anodyne CCc1ccccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099534 JK Annotated Anodyne CCc1ccccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099536 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114099553 JK Annotated Anodyne COc1cc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)ccc1F ZINC000114099649 JK Annotated Anodyne COc1cc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)ccc1F ZINC000114099651 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000114099688 JK Annotated Anodyne COc1ccc(C)cc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099707 JK Annotated Anodyne COc1ccc(C)cc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099709 JK Annotated Anodyne CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114099730 JK Annotated Anodyne CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114099732 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[C@H](Oc2ccccc2)C1 ZINC000114099770 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[C@H](Oc2ccccc2)C1 ZINC000114099772 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[C@@H](Oc2ccccc2)C1 ZINC000114099774 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[C@@H](Oc2ccccc2)C1 ZINC000114099776 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000114099800 JK Annotated Anodyne Cc1ccccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099913 JK Annotated Anodyne Cc1ccccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099916 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000114099935 JK Annotated Anodyne CC(C)CN(Cc1ccc2c(c1Cl)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114099938 JK Annotated Anodyne CC(C)CN(Cc1ccc2c(c1Cl)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114099941 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@@H](C)CNCc1cccc2[nH]ccc12 ZINC000114100037 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@H](C)CNCc1cccc2[nH]ccc12 ZINC000114100038 JK Annotated Anodyne Cc1ccc(C)c(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100050 JK Annotated Anodyne Cc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100057 JK Annotated Anodyne Cc1ccc(C)c(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)CCCCO4)CC(C)C)C2)c1 ZINC000114100069 JK Annotated Anodyne CC[C@H](CNCc1ccccc1)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100078 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc(C(C)C)c2)C1 ZINC000114100105 JK Annotated Anodyne CCc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100114 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H](C)CNCc1cccc2ccn(C)c12 ZINC000114100154 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H](C)CNCc1cccc2ccn(C)c12 ZINC000114100155 JK Annotated Anodyne COc1c(C)cccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100204 JK Annotated Anodyne COc1c(C)cccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100206 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1Cl ZINC000114100208 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1Cl ZINC000114100210 JK Annotated Anodyne Cc1ccc(C)c(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114100307 JK Annotated Anodyne Cc1ccc(C)c(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114100310 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H](C)CNCc1cccc2cc[nH]c12 ZINC000114100389 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H](C)CNCc1cccc2cc[nH]c12 ZINC000114100391 JK Annotated Anodyne Cc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)CCCCO4)CC(C)C)C2)c1C ZINC000114100435 JK Annotated Anodyne Cc1cccc(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100439 JK Annotated Anodyne CC(C)[C@@H](C)N(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114100454 JK Annotated Anodyne CC(C)[C@H](C)N(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114100456 JK Annotated Anodyne CC(C)[C@@H](C)N(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114100458 JK Annotated Anodyne CC(C)[C@H](C)N(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114100460 JK Annotated Anodyne CC[C@H](CNCc1ccccc1OC)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100480 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H](C)CNCc1cccc2[nH]ccc12 ZINC000114100571 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H](C)CNCc1cccc2[nH]ccc12 ZINC000114100573 JK Annotated Anodyne Cc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1C ZINC000114100601 JK Annotated Anodyne Cc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1C ZINC000114100603 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2cc[nH]c12 ZINC000114100618 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1CCC2 ZINC000114100638 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1CCC2 ZINC000114100640 JK Annotated Anodyne Cc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114100651 JK Annotated Anodyne Cc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000114100653 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000114100655 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CN(C)Cc1ccccc1 ZINC000114100690 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CN(C)Cc1ccccc1 ZINC000114100692 JK Annotated Anodyne CCc1ccccc1CN1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100703 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(F)c1 ZINC000114100707 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(F)c1 ZINC000114100710 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccc(F)cc1 ZINC000114100746 JK Annotated Anodyne CCc1c(C)cccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100748 JK Annotated Anodyne CC[C@H](CNCc1cccc2[nH]ccc12)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114100766 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1C(C)C ZINC000114100797 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1C(C)C ZINC000114100798 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1ccn2C ZINC000114100815 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1ccn2C ZINC000114100816 JK Annotated Anodyne Cc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114100890 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3[nH]ccc23)C1 ZINC000114100902 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1c(F)cccc1F ZINC000114101002 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2ccn(C)c12 ZINC000114101127 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2ccn(C)c12 ZINC000114101129 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@@H](C)CNCc1cccc2cc[nH]c12 ZINC000114101151 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@H](C)CNCc1cccc2cc[nH]c12 ZINC000114101152 JK Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(SC(F)(F)F)cc4)c3)ncnc12 ZINC000114343938 JK Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2cc(C(F)(F)F)ccn2)c1 ZINC000114346243 JK Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2cc(C(F)(F)F)ccn2)c1 ZINC000114346245 JK Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1 ZINC000114346583 JK Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1 ZINC000114346585 JK Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000114346611 JK Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ccc(C(F)(F)F)cn2)c1 ZINC000114347351 JK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc3c(c2)CN2CCC3(c3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000114348587 JK Annotated Anodyne Fc1cc(C23CCN(CC2)Cc2cc(Oc4ccc(C(F)(F)F)nn4)ccc23)ccc1Cl ZINC000114349210 JK Annotated Anodyne FC(F)(F)c1ccc(C23CCN(CC2)Cc2cc(Oc4ccc(C(F)(F)F)nn4)ccc23)cc1 ZINC000114350195 JK Annotated Anodyne Fc1ccc(C23CCN(CC2)Cc2cc(Oc4ccc(C(F)(F)F)nn4)ccc23)cc1Cl ZINC000114350516 JK Annotated Anodyne FC(F)(F)c1nnc2ccc(-c3ccc4c(c3)CN3CC[C@@]4(c4ccc(Cl)cc4)C3)cn12 ZINC000114350541 JK Annotated Anodyne CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(OC)cc21 ZINC000114359498 JK Annotated Anodyne c1cc(-c2c(-c3nc(-c4ccc(Cn5ccnc5)cc4)no3)cnn2C2CCCCC2)ccn1 ZINC000114562837 JK Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)c1c(C2CCCC2)n(Cc2ccccn2)c2ccc(O)cc12 ZINC000114590127 JK Annotated Anodyne N#CCCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1 ZINC000114591683 JK Annotated Anodyne NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCC(=O)O)c2ccccc2)n1 ZINC000114591693 JK Annotated Anodyne O=C(O)c1cc(N(CCc2nn[nH]n2)c2ccccc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114592002 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1 ZINC000114592340 JK Annotated Anodyne NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CC(=O)O)c2ccccc2)n1 ZINC000114592540 JK Annotated Anodyne N#CCCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(=O)O)n1 ZINC000114592683 JK Annotated Anodyne c1cc(-c2c(-c3nc(-c4ccc(CCn5cncn5)cc4)no3)cnn2C2CCCCC2)ccn1 ZINC000114611997 JK Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(F)c3F)cc12 ZINC000114712878 JK Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C(C)C)cc12 ZINC000114712946 JK Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C(C)(C)C)cc12 ZINC000114713375 JK Annotated Anodyne COC1CCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 ZINC000114713379 JK Annotated Anodyne COc1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)cn1 ZINC000114764926 JK Annotated Anodyne CC(C)(C1CCCCCCC1)N1[C@H]2CCC[C@@H]1C[C@](C)(n1c(=O)c(C(=O)O)nc3ccccc31)C2 ZINC000114764990 JK Annotated Anodyne O=c1c(N2CCc3ccccc3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1 ZINC000114766016 JK Annotated Anodyne CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCC4CC4)ccc3n2)c1 ZINC000114769678 JK Annotated Anodyne Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1 ZINC000114804223 JK Annotated Anodyne CC(C)(C)c1cn(CCC(F)(F)F)/c(=N/C(=O)c2cc(C#N)ccc2OC2CCC2)s1 ZINC000114894000 JK Annotated Mild O=C(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccccc1 ZINC000114978223 JK Annotated Anodyne O=C(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccccc1 ZINC000114978225 JK Annotated Anodyne CCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)N(C)CC2 ZINC000114978236 JK Annotated Anodyne CCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)N(C)CC2 ZINC000114978238 JK Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2(C)C ZINC000114978489 JK Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2(C)C ZINC000114978491 JK Annotated Anodyne CC(C)(C)NS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980677 JK Annotated Anodyne CC(C)(C)NS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980680 JK Annotated Anodyne C=C(C)C[C@]1(c2ccccc2)CCN(C2(c3ccc(-c4ccn(C)c(=O)c4)cc3)CC2)C(=O)O1 ZINC000114983650 JK Annotated Mild C=C(C)C[C@@]1(c2ccccc2)CCN(C2(c3ccc(-c4ccn(C)c(=O)c4)cc3)CC2)C(=O)O1 ZINC000114983653 JK Annotated Mild Cn1ccc(-c2ccc(C(C)(C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O ZINC000114983659 JK Annotated Anodyne Cn1ccc(-c2ccc(C(C)(C)N3CC[C@@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O ZINC000114983662 JK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccccc1 ZINC000114984464 JK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccccc1 ZINC000114984466 JK Annotated Anodyne FC(F)(F)c1ccc([C@@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1 ZINC000114994874 JK Annotated Anodyne FC(F)(F)c1ccc([C@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1 ZINC000114994877 JK Annotated Anodyne O=C(O)CCCCO/N=C(\C1CCCCC1)[C@@H](Cc1ccc(C(F)(F)F)cc1)n1ccnc1 ZINC000011687209 JK Annotated Mild OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(Cc2cc4ccccc4s2)CCO3)CC1 ZINC000011783522 JK Annotated Anodyne COc1cc(CNc2nc(C)c(-c3ccn(C4Cc5ccccc5C4)n3)s2)cc2c1OCO2 ZINC000011789035 JK Annotated Anodyne Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)c4ccc(F)cc4Cl)c(C)o3)c2)s1 ZINC000011871763 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2ccc(C)s2)C2CC2)cc1OC ZINC000011881548 JK Annotated Anodyne CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N(C)Cc3c(C)nc4ccccn34)c21 ZINC000011911970 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cc(C)nn2C)C2CC2)cc1OC ZINC000011912361 JK Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cc(Cl)ccc1O)CC2 ZINC000011971535 JK Annotated Clean CN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000011973354 JK Annotated Anodyne COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccc(C)o4)cc2)CCO3)C1 ZINC000011980090 JK Annotated Anodyne COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccc(C)o4)cc2)CCO3)C1 ZINC000011980097 JK Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000115109209 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(C=O)C[C@H]42)[C@H](O)C[C@]31C ZINC000115115333 JK Annotated Mild Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2cccnc2)n1 ZINC000115154313 JK Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000115317378 JK Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000115317381 JK Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000115317383 JK Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000115317385 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)c(Cl)cc3Cl)c(Cl)cn2)CC1 ZINC000115455727 JK Annotated Anodyne CC1(C)C[C@@H](CNc2ccc(Cl)c(-c3cc(N[C@@H]4CC[C@@H](O)CC4)ncc3Cl)n2)CCO1 ZINC000115456149 JK Annotated Anodyne CC1(C)C[C@H](CNc2ccc(Cl)c(-c3cc(N[C@@H]4CC[C@@H](O)CC4)ncc3Cl)n2)CCO1 ZINC000115456152 JK Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115456357 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Br)c(Cl)cn2)CC1 ZINC000115456634 JK Annotated Anodyne Fc1cc(F)cc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N5CCCC5)CC4)ncc3Cl)n2)c1 ZINC000115456696 JK Annotated Anodyne COCCN(C)[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115457258 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115457317 JK Annotated Anodyne CN(C)C(=O)[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000115457360 JK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457389 JK Annotated Mild N#Cc1cc(NCc2cccc(F)c2)nc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)c1 ZINC000115457786 JK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000115596578 JK Annotated Mild C/C(=C\C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000115607605 JK Annotated Clean COc1cccc(Nc2nnc(-c3cc(C(C)C)c(O)cc3O)n2-c2ccc3c(ccn3C)c2)c1 ZINC000115809178 JK Annotated Anodyne CC(C)c1cc(-c2nnc(Nc3cccc(N)c3)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115811005 JK Annotated Anodyne CC(C)c1cc(-c2nnc(Nc3ccc4ncccc4c3)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115811251 JK Annotated Anodyne CC(C)c1cc(-c2nnc(NCc3ccccc3)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115811334 JK Annotated Anodyne CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1)C1CCCCC1 ZINC000115949170 JK Annotated Anodyne O=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1 ZINC000115950444 JK Annotated Anodyne Fc1ccc(-c2c(-c3nn[nH]n3)nc(C3CCCCC3)n2-c2cccc(Cl)c2F)cc1Cl ZINC000116175919 JK Annotated Anodyne C=CCCCCCCCCCC[C@H](C)CCCCCCCCCCCCCCCCCCCC ZINC000116459659 JK Annotated Mild C=CCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCCC ZINC000116459662 JK Annotated Mild CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)[C@@H](C)N(C)C1=O ZINC000116619438 JK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)[C@H](C)N(C)C1=O ZINC000116619441 JK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CCC1=O ZINC000116619954 JK Annotated Anodyne N[C@@]1(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C[C@@](O)(C2CC2)C1 ZINC000116652850 JK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1C1CCCCC1)C(F)(F)F ZINC000116683318 JK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1ccccc1)C(F)(F)F ZINC000116684564 JK Annotated Anodyne O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)COc1c-2ccc(Cl)c1Cl ZINC000116871396 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)CCc1cc(Cl)c(Cl)cc1-2 ZINC000116871406 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)COc1c-2ccc(Cl)c1Cl ZINC000116871409 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)CCc1cc(Cl)c(Cl)cc1-2 ZINC000116871412 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)CCc1c-2ccc(Cl)c1Cl ZINC000116871882 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)CCc1c-2ccc(Cl)c1Cl ZINC000116871898 JK Annotated Mild NC(=O)c1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000116911198 JK Annotated Anodyne NC(=O)c1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000116911200 JK Annotated Anodyne Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 ZINC000116949270 JK Annotated Anodyne Cc1c(-c2cn(CCCC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(=O)O ZINC000117015753 JK Annotated Anodyne Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000117164712 JK Annotated Anodyne COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 ZINC000117177733 JK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Cn2ccc(-c3ccccc3)n2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000117307010 JK Annotated Anodyne C[C@H](NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1 ZINC000117511442 JK Annotated Anodyne C[C@H](Oc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000117511449 JK Annotated Anodyne C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3cccc(Cl)c3)nn(C)c2n1)c1ccccc1 ZINC000117511664 JK Annotated Anodyne C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3cccc(F)c3)nn(C)c2n1)c1ccccc1 ZINC000117512048 JK Annotated Anodyne C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3F)nn(C)c2n1)c1ccccc1 ZINC000117512056 JK Annotated Anodyne Cc1ccc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C(F)(F)F)c23)cc1 ZINC000117514627 JK Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1 ZINC000117514939 JK Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)F)c3c(-c4cc(C)oc4C)nn(C)c3n2)cc1 ZINC000117515363 JK Annotated Anodyne COc1ccc(Oc2ccc3c(c2)CC[C@H]2[C@H]3CCCN2C(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000117627395 JK Annotated Anodyne COc1ccc(Oc2ccc3c(c2)CC[C@H]2[C@@H]3CCCN2C(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000117627398 JK Annotated Anodyne COc1ccc(Cc2cccc3c2[C@@H]2CCCN(C(=O)c4ccc5[nH]cnc5c4)[C@H]2CC3)cc1 ZINC000117630577 JK Annotated Anodyne COc1ccc(Cc2cccc3c2[C@H]2CCCN(C(=O)c4ccc5[nH]cnc5c4)[C@H]2CC3)cc1 ZINC000117630579 JK Annotated Anodyne FC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCNCC1 ZINC000117652915 JK Annotated Anodyne O=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000117674153 JK Annotated Anodyne O=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000117674157 JK Annotated Anodyne O=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@@]3(C[C@H]3c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000117674159 JK Annotated Anodyne O=C(O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@]3(C[C@H]3c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000117674162 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000117674629 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000117675586 JK Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC(C)(C)O)sc2ccncc21 ZINC000117685087 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2N1[C@@H](c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1 ZINC000117710354 JK Annotated Anodyne C=CCN1[C@H]2CC[C@H]1[C@H]1CC[C@H]2N1[C@H](c1ccc(C(=O)NC2CCCCC2)cc1)c1cccc(O)c1 ZINC000117710356 JK Annotated Anodyne CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)N(C1CCCCC1)C1CC1 ZINC000117762190 JK Annotated Anodyne COC(=O)[C@@H]1CC[C@](O)(c2ncc(-c3cc(C)cc(Nc4ncc(Cl)cn4)c3)s2)CC1(C)C ZINC000117801885 JK Annotated Anodyne COC(=O)[C@H]1CC[C@](O)(c2ncc(-c3cc(C)cc(Nc4ncc(Cl)cn4)c3)s2)CC1(C)C ZINC000117801888 JK Annotated Anodyne COC(=O)[C@@H]1CC[C@@](O)(c2ncc(-c3cc(C)cc(Nc4ncc(Cl)cn4)c3)s2)CC1(C)C ZINC000117801890 JK Annotated Anodyne COC(=O)[C@H]1CC[C@@](O)(c2ncc(-c3cc(C)cc(Nc4ncc(Cl)cn4)c3)s2)CC1(C)C ZINC000117801893 JK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CC(C)(C)c3nnco3)s2)c1 ZINC000117847698 JK Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(Cl)ccn45)cccc32)n1 ZINC000117883828 JK Annotated Anodyne Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118092123 JK Annotated Anodyne Cc1c(-c2ccccc2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118092623 JK Annotated Anodyne COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1Cl ZINC000118092765 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092884 JK Annotated Anodyne CC1(C)CN(c2c3c(nc4ccc(Cl)cc24)C(C)(C)CC3)c2cc(N3CCOCC3)ccc21 ZINC000118093109 JK Annotated Anodyne Cc1nc2ccc(Cl)cc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C ZINC000118093382 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C3=CCOCC3)cc21 ZINC000118093556 JK Annotated Anodyne COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)c(C)c43)c2cc1Cl ZINC000118093923 JK Annotated Anodyne Cc1c(-c2cc(F)cc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093964 JK Annotated Anodyne COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(Br)cc43)c2cc1Cl ZINC000118094183 JK Annotated Anodyne Cc1ccnc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118094415 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(-c3cn[nH]c3)cc21 ZINC000118094596 JK Annotated Clean Cc1c(N2CCCCC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118094637 JK Annotated Anodyne Cc1c(-c2ccccc2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118095346 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118095747 JK Annotated Anodyne Cc1c(-c2cc(F)cc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118095867 JK Annotated Anodyne COCCN(C)c1cnc2c(c1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC2(C)C ZINC000118096829 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3cn[nH]c3)cc21 ZINC000118097291 JK Annotated Clean Cc1cc(C)cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118097622 JK Annotated Anodyne Cc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118097635 JK Annotated Anodyne Cc1c(-c2cccc(C#N)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118097710 JK Annotated Mild CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000118249921 JK Annotated Anodyne CC(C)(C)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000118252056 JK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)CC1 ZINC000118325929 JK Annotated Anodyne Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000118397777 JK Annotated Anodyne COc1ccc(NC(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cc1 ZINC000118405383 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118408119 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118408873 JK Annotated Anodyne Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@](C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000118524358 JK Annotated Anodyne Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@](C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000118524361 JK Annotated Anodyne Cc1cc([C@H](Nc2ccc(C(F)(F)F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000118530411 JK Annotated Anodyne CC(C)(NC(=O)c1ccc2occc2c1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1 ZINC000118627592 JK Annotated Anodyne CCc1nn(C[C@@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c(C)c1Cl ZINC000118638503 JK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccccc1)C(F)(F)F ZINC000118770827 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)NC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118786689 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)NC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118786691 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C)cc1)C(=O)C2 ZINC000118789299 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793124 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793126 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C)cc1)C(=O)C2 ZINC000118793664 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(OC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793845 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(OC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793847 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(CO)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799562 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(CO)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799564 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)N(C)C(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799753 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)N(C)C(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799755 JK Annotated Anodyne CCOc1cc2c(cc1O[C@H](C)CC)[C@H](c1ccc(Cl)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000118800535 JK Annotated Anodyne CCOc1cc2c(cc1O[C@H](C)CC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(OC)cc1)C(=O)C2 ZINC000118800536 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118802248 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118802252 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118802253 JK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118802254 JK Annotated Anodyne CCCOc1cc2c(cc1OC)CC(=O)N(c1ccc(OC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118806381 JK Annotated Anodyne CCCOc1cc2c(cc1OC)CC(=O)N(c1ccc(OC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118806383 JK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccccc1 ZINC000118908738 JK Annotated Anodyne Cc1cc2ccccc2n1Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000118910949 JK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccc(C#N)cc1 ZINC000118911062 JK Annotated Mild CCN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccccn1 ZINC000118912172 JK Annotated Anodyne CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921303 JK Annotated Clean CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921304 JK Annotated Clean CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921308 JK Annotated Anodyne CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118921310 JK Annotated Anodyne CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118921737 JK Annotated Reactive CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118921741 JK Annotated Reactive CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118921744 JK Annotated Reactive Cc1ccccc1C[S@](=O)[C@@]1(Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000118922497 JK Annotated Mild CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118922601 JK Annotated Reactive CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118922602 JK Annotated Reactive C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@](=O)Cc1ccccc1 ZINC000118922604 JK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C4=C[C@]5(C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C)NC(=O)N4)C(C)C ZINC000118922696 JK Annotated Reactive C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@]3(C)[C@H]1[C@@H]2C ZINC000118930074 JK Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@]3(C)[C@H]1[C@@H]2C ZINC000118930075 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@](=O)CCc1ccccc1 ZINC000118930368 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@](=O)[C@H](Cl)c1ccccc1 ZINC000118930373 JK Annotated Reactive C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@](=O)[C@@H](Cl)c1ccccc1 ZINC000118930374 JK Annotated Reactive CC(C)[C@@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000118937503 JK Annotated Anodyne in-man endogenous CC(C)[C@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000118937504 JK Annotated Anodyne in-man endogenous CC(C)[C@@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000118937505 JK Annotated Anodyne in-man endogenous CC(C)[C@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000118937506 JK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118938901 JK Annotated Mild C[C@]12CC/C(=N\Oc3ccc([N+](=O)[O-])cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[N+](=O)[O-])CC[C@@H]12 ZINC000118938958 JK Annotated Mild CC(C)[C@@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]6(C)[C@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000119317011 JK Annotated Anodyne in-man CC(C)[C@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]6(C)[C@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000119317147 JK Annotated Anodyne in-man CC(C)[C@@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]6(C)[C@@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000119317257 JK Annotated Anodyne in-man CC(C)[C@H]1CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]6(C)[C@@H]5CC[C@@]4(OC2=O)[C@H]13 ZINC000119317332 JK Annotated Anodyne in-man O=C(CCc1nc2ccccc2s1)N1CCOc2ccc(CN3CCc4sccc4C3)cc2C1 ZINC000012021591 JK Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1ccc3cccc(F)c3n1)CC2 ZINC000012022196 JK Annotated Anodyne COCc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012025039 JK Annotated Anodyne COc1ccc(CN2CCOc3c(O)cc(-c4cc(C)c5ccc(F)cc5n4)cc3C2)c(O)c1 ZINC000012027397 JK Annotated Clean CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cccc3ncccc13)CC2 ZINC000012027516 JK Annotated Anodyne CC(C)c1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012028142 JK Annotated Anodyne Cc1cc(=O)c(C(=O)N(C)CCc2ccccn2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000012028439 JK Annotated Anodyne Cc1cc(=O)c(C(=O)N(C)CCc2ccccn2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000012028443 JK Annotated Anodyne CCN(Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1cccc3c(C)c(C)[nH]c13)CCO2 ZINC000012029098 JK Annotated Anodyne C/C(=C\c1ccco1)CN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012030604 JK Annotated Anodyne COc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2cc(C)nn2C)C2CC2)CCC4)c1OC ZINC000012031315 JK Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)Cc2c[nH]c4ccccc24)C3)c1 ZINC000012031763 JK Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)Cc2c[nH]c4ccccc24)C3)c1 ZINC000012031769 JK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000012078356 JK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000012078358 JK Annotated Anodyne Cc1ncsc1CCC(=O)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000012078591 JK Annotated Anodyne Cc1ncsc1CCC(=O)N1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 ZINC000012078593 JK Annotated Anodyne Cc1cccc(CNC(=O)c2c3n(c(C)cc2=O)-c2ccccc2S[C@H](c2sccc2C)C3)n1 ZINC000012078608 JK Annotated Anodyne Cc1cccc(CNC(=O)c2c3n(c(C)cc2=O)-c2ccccc2S[C@@H](c2sccc2C)C3)n1 ZINC000012078610 JK Annotated Anodyne Cc1cccc2cc(CN(C(=O)c3ccc(N4CCCCC4)cc3)C3CC3)c(N3CCC(O)CC3)nc12 ZINC000012079390 JK Annotated Anodyne O=C(Cc1c[nH]c2ccccc12)N1CCC(n2c([C@@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000012079414 JK Annotated Anodyne O=C(Cc1c[nH]c2ccccc12)N1CCC(n2c([C@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000012079415 JK Annotated Anodyne COc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2cccs2)C2CC2)CCC4)c1OC ZINC000012079812 JK Annotated Anodyne Cc1cc(=O)c(C(=O)NCCCc2ccncc2)c2n1-c1ccccc1S[C@H](c1cccs1)C2 ZINC000012080220 JK Annotated Anodyne Cc1cc(=O)c(C(=O)NCCCc2ccncc2)c2n1-c1ccccc1S[C@@H](c1cccs1)C2 ZINC000012080221 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1OC ZINC000012121892 JK Annotated Anodyne COc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2csc(C)n2)C2CC2)CCC4)c1OC ZINC000012127127 JK Annotated Anodyne COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)c2csc(C)n2)C2CC2)c1 ZINC000012127879 JK Annotated Anodyne Cn1cnnc1Sc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5CC4)cc3C2)o1 ZINC000012128757 JK Annotated Anodyne COCc1ccc(CN2CCOc3c(cc(-c4cc(C)c5cccc(OC)c5n4)cc3OC)C2)o1 ZINC000012130706 JK Annotated Anodyne Cc1cccc2cc(CN(C(=O)c3ccc(C(F)(F)F)cc3)C3CC3)c(N3CCC(O)CC3)nc12 ZINC000012131788 JK Annotated Anodyne CC(C)C(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000012212829 JK Annotated Anodyne Clc1ccc(N/N=C/c2cccc(/C=N/Nc3ccc(Cl)c(Cl)c3)c2)cc1Cl ZINC000012311640 JK Annotated Mild O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CCN(CC4CCCCC4)CC3)ccc2o1 ZINC000012330921 JK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13 ZINC000012341911 JK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13 ZINC000012341913 JK Annotated Anodyne CC(/C=C1\Sc2ccc3ccoc3c2N1CCO)=C\c1sc2ccc3occc3c2[n+]1CCO ZINC000012342774 JK Annotated Clean CC(F)(F)CCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358428 JK Annotated Anodyne CC(F)(F)CCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358429 JK Annotated Anodyne Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)O)cc1 ZINC000012358527 JK Annotated Anodyne Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)O)cc1 ZINC000012358528 JK Annotated Anodyne CCCc1cc2c(oc(=O)n2C(C)C)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 ZINC000012358592 JK Annotated Anodyne CCCc1cc2c(oc(=O)n2CC(F)(F)F)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 ZINC000012358594 JK Annotated Anodyne N#CC1=C2CCCCCN2[P@@](=S)(SCc2ccccc2)N=C1NCc1ccccc1 ZINC000012376478 JK Annotated Reactive N#CC1=C2CCCCCN2[P@](=S)(SCc2ccccc2)N=C1NCc1ccccc1 ZINC000012376479 JK Annotated Reactive CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@@H](c1ccccc1)N1CCOCC1 ZINC000012381210 JK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@@H](c1ccccc1)N1CCOCC1 ZINC000012381211 JK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(Nc2ccccc2)CCCCC1 ZINC000012381222 JK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(Nc2ccccc2)CCCCC1 ZINC000012381223 JK Annotated Anodyne O=C(O)c1ccc(/N=C/c2ccc(-c3ccc(/C=N/c4ccc(C(=O)O)cc4O)cc3)cc2)c(O)c1 ZINC000012403151 JK Annotated Mild Fc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)s2)=Nc2ncnn21 ZINC000012467735 JK Annotated Anodyne Fc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)s2)=Nc2ncnn21 ZINC000012467738 JK Annotated Anodyne CCCn1c(C)nc2cc(Cl)c(N3CCN(c4nc(-c5ccc(C)cc5)cs4)CC3)cc21 ZINC000012470817 JK Annotated Anodyne COc1ccc(-c2oc3ccc(-c4ccc(OC)nc4)cc3c2C#CC2(O)CCCCC2)cc1 ZINC000012474706 JK Annotated Mild COc1ccc(C#Cc2c(-c3ccsc3)oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1 ZINC000012476687 JK Annotated Mild COc1cc(-c2ccc3oc(-c4ccsc4)c(C#CC4(O)CCCCC4)c3c2)cc(OC)c1OC ZINC000012476892 JK Annotated Mild COc1ccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2C#CC2(O)CCCCC2)cc1 ZINC000012476904 JK Annotated Mild COc1ccc(-c2ccc3oc(-c4ccc(OC)cc4)c(C#CC4(O)CCCCC4)c3c2)cc1 ZINC000012477068 JK Annotated Mild O=C(NCc1ccccc1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCc1ccccc1 ZINC000012477626 JK Annotated Anodyne C=C1CCN([C@@H](CC(C)C)C(=O)NCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc21 ZINC000012478912 JK Annotated Mild O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21 ZINC000012479148 JK Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000012479705 JK Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000012479917 JK Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012480182 JK Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000012480431 JK Annotated Anodyne Cc1cccc(C)c1N(C(=O)Cc1ccsc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012482777 JK Annotated Anodyne Cc1cccc(C)c1N(C(=O)Cc1ccsc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012482784 JK Annotated Anodyne S=c1[nH]nc(-c2cccc(Cl)c2)n1/N=C\c1ccc(-c2ccccc2Br)o1 ZINC000012485512 JK Annotated Mild O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCCCCCC1 ZINC000012487778 JK Annotated Anodyne OCCCn1c(CCNc2nc(-c3ccc(F)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012489809 JK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000012489822 JK Annotated Anodyne C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000012489829 JK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(C(F)(F)F)ccc2n1CCOCCO ZINC000012489852 JK Annotated Anodyne C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(C(F)(F)F)ccc2n1CCOCCO ZINC000012489858 JK Annotated Anodyne Cc1ccc(-c2csc(NCCc3nc4cc(Cl)c(Cl)cc4n3CCOCCO)n2)cc1 ZINC000012489987 JK Annotated Anodyne Cc1ccc(-c2csc(NCCc3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1 ZINC000012490053 JK Annotated Anodyne OCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012490105 JK Annotated Anodyne OCCCn1c([C@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012490110 JK Annotated Anodyne C/C1=C/C[C@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CCC1 ZINC000012501270 JK Annotated Anodyne investigational c1ccc(C[C@H]2CN(c3cc(-c4ccncc4)c(-c4ccc5ccccc5c4)nn3)CCN2)cc1 ZINC000012501440 JK Annotated Anodyne in-vivo CO/C(=C/C(N)=O)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000012504488 JK Annotated Anodyne in-vitro metabolite OCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012507223 JK Annotated Anodyne OCCCn1c([C@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012507225 JK Annotated Anodyne COc1ccc(-c2csc(NCCc3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1 ZINC000012507242 JK Annotated Anodyne COc1ccc(-c2csc(N[C@@H](C)c3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1 ZINC000012507260 JK Annotated Anodyne COc1ccc(-c2csc(N[C@H](C)c3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1 ZINC000012507262 JK Annotated Anodyne Cc1csc(N2CCC[C@@H]2c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCCO)n1 ZINC000012507267 JK Annotated Anodyne Cc1csc(N2CCC[C@H]2c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCCO)n1 ZINC000012507268 JK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCOCCO ZINC000012507274 JK Annotated Anodyne C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCOCCO ZINC000012507275 JK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCCO ZINC000012507277 JK Annotated Anodyne C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCCO ZINC000012507279 JK Annotated Anodyne Cc1ccc(Cn2c([C@@H](CO)Nc3nc(-c4ccc(F)cc4)cs3)nc3ccccc32)cc1 ZINC000012507281 JK Annotated Anodyne Cc1ccc(Cn2c([C@H](CO)Nc3nc(-c4ccc(F)cc4)cs3)nc3ccccc32)cc1 ZINC000012507283 JK Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3Cc3ccc(C)cc3)n2)cc1 ZINC000012507289 JK Annotated Anodyne COc1ccc(-c2csc(N[C@H](CO)c3nc4ccccc4n3Cc3ccc(C)cc3)n2)cc1 ZINC000012507291 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1c1ccccc1 ZINC000012509226 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1c1ccccc1 ZINC000012509260 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1c1ccccc1 ZINC000012509298 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1c1ccccc1 ZINC000012509332 JK Annotated Anodyne CCN(CC)c1ccc(/C=C2\CCC(/C=N/N=C/c3c(C)[nH]c4ccccc34)=C2N2CCOCC2)cc1 ZINC000012580493 JK Annotated Mild N#Cc1ccc(/C=N/c2ccc(OC(F)(F)C(F)F)c(/N=C/c3ccc(C#N)cc3)c2)cc1 ZINC000012589847 JK Annotated Mild C[C@@H]1C/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 ZINC000012616988 JK Annotated Reactive C[C@H]1C/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 ZINC000012616992 JK Annotated Reactive CCCCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725734 JK Annotated Anodyne CC(C)CCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725787 JK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@]1(c2ccc(Br)cc2)C[C@@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000012726574 JK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@]1(c2ccccc2)C[C@@H]2ON=C(c3cccc(-c4ccccc4)c3)[C@@H]2C1 ZINC000012726576 JK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@]1(c2ccccc2)C[C@@H]2ON=C(c3cccc(Br)c3)[C@@H]2C1 ZINC000012726613 JK Annotated Anodyne Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012726755 JK Annotated Bother Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012726758 JK Annotated Bother CCCCN(CCCC)CCCNC(=O)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727102 JK Annotated Anodyne CCCCN(CCCC)CCCNC(=O)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727104 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727110 JK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727112 JK Annotated Anodyne CC(C)(C)OC(=O)N1C(OP(=O)(Oc2ccccc2)Oc2ccccc2)=COc2cccnc21 ZINC000012947789 JK Annotated Anodyne CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012952806 JK Annotated Anodyne COc1cc(-c2[nH]ccc2Cl)oc1C1=C2N=C3C=C2[C@H](C(C)C)[C@@H]1CCCCCCCC3 ZINC000012971205 JK Annotated Anodyne COc1cc(-c2[nH]ccc2Cl)oc1C1=C2N=C3C=C2[C@@H](C(C)C)[C@@H]1CCCCCCCC3 ZINC000012971206 JK Annotated Anodyne COc1cc(-c2[nH]ccc2Cl)oc1C1=C2N=C3C=C2[C@H](C(C)C)[C@H]1CCCCCCCC3 ZINC000012971207 JK Annotated Anodyne Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)c(C)c1 ZINC000013028866 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000013110999 JK Annotated Mild COc1ccc(Br)cc1[C@H]1N[C@@H](c2cc(Br)ccc2OC)CC(=O)[C@H]1C ZINC000013118769 JK Annotated Anodyne COc1ccc(Br)cc1[C@H]1N[C@@H](c2cc(Br)ccc2OC)CC(=O)[C@@H]1C ZINC000013118771 JK Annotated Anodyne O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN/C=C1\C=Nc2ccccc21 ZINC000013119179 JK Annotated Reactive O=C(/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000013120188 JK Annotated Clean Cc1cccc(COC[C@H](CC(C)C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)c1 ZINC000013121797 JK Annotated Anodyne O=C(CSc1nnc(SCc2cccc3ccccc23)s1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000013122061 JK Annotated Clean CC(C)c1ccc2[nH]c(O)c(/N=N\C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c2c1 ZINC000013122292 JK Annotated Clean O=C(COc1ccccc1-c1ccccc1)NN/C=C1\S/C(=N/c2ccccc2)N=C1Cl ZINC000013122340 JK Annotated Reactive CC(C)c1ccc2[nH]c(O)c(/N=N\C(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2c1 ZINC000013123105 JK Annotated Clean CCn1c2ccccc2c2cc(/N=C3/S[C@@H](CC(=O)Nc4ccccc4OC)C(=O)N3C)ccc21 ZINC000013136256 JK Annotated Mild O=C(C[C@@H]1S/C(=N/CCc2ccccc2)N(/N=C/c2cccs2)C1=O)Nc1ccc(Cl)cc1 ZINC000013138624 JK Annotated Mild Cc1ccc(Nc2nnc([C@@H]3C(=O)N(C)[C@@]4(C)C[C@@H]3c3cc(Br)ccc3O4)s2)cc1 ZINC000013139562 JK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@H]1S/C(=N\c2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000013146780 JK Annotated Mild O/C(COc1c(I)cc(Cl)c2cccnc12)=N\C12CC3CC(CC(C3)C1)C2 ZINC000013148610 JK Annotated Anodyne COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)c1 ZINC000013151545 JK Annotated Clean Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 ZINC000013151782 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 ZINC000013151783 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000013151784 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 ZINC000013151785 JK Annotated Reactive Cc1[nH]n(-c2ncc(-c3ccc(Cl)cc3)s2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000013151866 JK Annotated Mild Cc1[nH]n(-c2ncc(-c3ccc(Cl)cc3)s2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000013151867 JK Annotated Mild Cc1[nH]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000013151868 JK Annotated Mild Cc1[nH]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000013151869 JK Annotated Mild Cc1cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000013151890 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 ZINC000013151897 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2 ZINC000013151898 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1)N2 ZINC000013151899 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1)N2 ZINC000013151900 JK Annotated Reactive CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000013152431 JK Annotated Anodyne Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 ZINC000013152913 JK Annotated Clean Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 ZINC000013152914 JK Annotated Clean Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 ZINC000013152915 JK Annotated Clean CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(N(C)C)cc3)CC2=N1 ZINC000013153076 JK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 ZINC000013154154 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 ZINC000013154155 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000013161484 JK Annotated Mild O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2Cl)cc1 ZINC000013194577 JK Annotated Mild in-vitro Cc1cc(C)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1C ZINC000013194883 JK Annotated Mild in-vitro Cc1cc(C)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1C ZINC000013194886 JK Annotated Mild in-vitro Brc1ccc2c(c1)-c1nc3nc4c(cc3cc1CC2)CCc1ccc(Br)cc1-4 ZINC000013223289 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@]1(C)CC3 ZINC000013298276 JK Annotated Anodyne in-vitro biogenic COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000013298673 JK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000013298675 JK Annotated Clean CC(C)c1cc2c(c(O)c1O)C1=CCC[C@](C)(COC(=O)c3ccc(O)c(O)c3)[C@@]1(C)C=C2 ZINC000013299300 JK Annotated Clean in-vitro biogenic CC/C=C/N(CCCCCCCCCCCCCCCCCN(C)C(C)=O)CN(C)C(C)=O ZINC000013301657 JK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(Br)cc2)[n+](C)c2ccccc21 ZINC000013304034 JK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(Br)cc2)[n+](C)c2ccccc21 ZINC000013304039 JK Annotated Anodyne O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000013304449 JK Annotated Mild CC(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(Cc2c(O)c(C)c(C)oc2=O)c1O ZINC000013306249 JK Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C ZINC000013306253 JK Annotated Anodyne CC(=O)[C@]12O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC[C@@]1(O)C(=O)C(C)=C2C ZINC000013307103 JK Annotated Mild COc1cc(C2C(c3ccccc3)C(c3cc(OC)cc(=O)o3)C2c2ccccc2)oc(=O)c1 ZINC000013307349 JK Annotated Anodyne COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1cccc(O)c1n2C ZINC000013307615 JK Annotated Bother Cc1coc2c(O)c3c(c(Cc4oc5c(O)c6c(c(C)c5c4C)[C@@H](C)CCC6)c12)[C@@H](C)CCC3 ZINC000013308171 JK Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013308330 JK Annotated Mild in-man endogenous CC[C@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013308332 JK Annotated Mild in-man endogenous CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC)c5C)c(C)c4CC)c(CC)c3C ZINC000013308608 JK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)c(CC)c4C)c(CC)c3C ZINC000013308611 JK Annotated Bother C/C(=C\Cn1cnc2c1C(=N)N(C)CN2C)CC[C@@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1CCCC2(C)C ZINC000013309021 JK Annotated Anodyne COc1c(O)c(-c2c(O)c(OC)c(OC)c3c2C=CC(C)(C)O3)c2c(c1OC)OC(C)(C)C=C2 ZINC000013309131 JK Annotated Anodyne CC1=C[C@@H](c2cc(CCN(C)C)ccc2O)[C@@H]2[C@@H](C1)c1cc(CCN(C)C)ccc1OC2(C)C ZINC000013310326 JK Annotated Anodyne COc1ccc(CCN(C)C)cc1[C@@H]1C=C(C)C[C@H]2c3cc(CCN(C)C)ccc3OC(C)(C)[C@H]12 ZINC000013310369 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000013310871 JK Annotated Bother COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000013312672 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)CCC(C)(C)O ZINC000013312674 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000013312682 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000013312684 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC1=C[C@@]2(C)CCC[C@@]2(C)[C@]2(C[C@H](O)C(C)(C)O2)O1 ZINC000013312712 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCC#C/C=C/[C@H](O)CCCCCCCCCCC/C=C\C#CC(=O)O ZINC000013327037 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCC#C/C=C/[C@@H](O)CCCCCCCCCCC/C=C\C#CC(=O)O ZINC000013327041 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1 ZINC000013327742 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000013328808 JK Annotated Mild CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000013330608 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000013330667 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C)C(=O)O ZINC000013330682 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000013330688 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000013334845 JK Annotated Mild C=C(CC[C@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000013334866 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000013334867 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000013334875 JK Annotated Mild COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C ZINC000013336348 JK Annotated Anodyne in-man COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C ZINC000013336350 JK Annotated Anodyne in-man COC(=O)[C@@]1(C)CC[C@@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C ZINC000013336352 JK Annotated Anodyne in-man COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C ZINC000013336354 JK Annotated Anodyne in-man C=C(CC(=O)OC)C(=O)C[C@@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000013337338 JK Annotated Mild C=C(CC(=O)OC)C(=O)C[C@@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000013337342 JK Annotated Mild Oc1ccc(/C=C2\c3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000013358407 JK Annotated Anodyne in-man Oc1ccc(/C=C2\c3cc(O)cc(O)c3[C@H](c3cc(O)cc(O)c3)[C@H]2c2ccc(O)cc2)cc1 ZINC000013358410 JK Annotated Anodyne in-man Oc1ccc([C@@H]2[C@H]3c4cc(O)cc(O)c4[C@@H](c4ccc(O)cc4)[C@@H]2c2cc(O)cc(O)c23)cc1 ZINC000013358415 JK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(O)cc(O)cc4[C@@H]2[C@@H]3c2ccc(O)cc2)cc1 ZINC000013358418 JK Annotated Anodyne COc1cc(O)c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000013360058 JK Annotated Anodyne CCOc1ccc(-c2[nH]nc3nc(-c4c(F)cccc4Br)cc(C(=O)O)c23)cc1 ZINC000013363470 JK Annotated Anodyne COc1cc(OC)c2c(c1)[C@H](CCCCCCCCC[C@H](CCC(C)=O)OC(C)=O)OC2=O ZINC000013367443 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(O)C(=O)c2cc(O)c(C)c(O)c2C(=O)[C@]1(Cl)CC=C(C)C ZINC000013369363 JK Annotated Clean in-vitro CC(C)=CCC/C(C)=C/C[C@]1(O)C(=O)c2cc(O)c(C)c(O)c2C(=O)[C@@]1(Cl)CC=C(C)C ZINC000013369365 JK Annotated Clean in-vitro Cc1c(O)c(NC(=O)NC(=O)NCC(C)C)c2c([nH]c3ccccc32)c1CCCCC(C)C ZINC000013370231 JK Annotated Anodyne Cc1c(O)c(NC(=O)NC(=O)NCC(C)C)c2c([nH]c3ccccc32)c1CCCCCC(C)C ZINC000013370233 JK Annotated Anodyne CCCCCc1cc(OC(=O)c2c(O)cc(O)c(Cl)c2CCCCC)cc(OC)c1C(=O)O ZINC000013370404 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000013370637 JK Annotated Mild COc1c(O)cc(C/C=C(\C)CCC[C@@H](C)C(=O)CC=C(C)C)c(CCN(C)C)c1Br ZINC000013370767 JK Annotated Anodyne COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C ZINC000013371183 JK Annotated Bother in-man endogenous Cc1c(-c2cc([C@@]3(C)CCCC3(C)C)c(O)c(O)c2C)cc([C@@]2(C)CCCC2(C)C)c(O)c1O ZINC000013371429 JK Annotated Clean COc1cc(O)cc(CC(=O)CCC/C=C\CCCCCCCCC(=O)c2cc(O)cc(OC)c2)c1 ZINC000013372442 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)c(CC=C(C)C)ccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000013372494 JK Annotated Mild CC(C)=CCC[C@]1(C)OC2=C(C[C@@H]1O)c1cc(CC=C(C)C)c(O)cc1Oc1cc(O)ccc12 ZINC000013373154 JK Annotated Anodyne CC(C)=CCc1cc2c(cc1O)Oc1cc(O)ccc1C1=C2CC[C@@](C)(CC[C@@H]2OC2(C)C)O1 ZINC000013373157 JK Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2cc(-c3c(CC=C(C)C)c(O)cc4c3CCC(C)(C)O4)oc12 ZINC000013373274 JK Annotated Mild C=C(C)[C@@H](C)c1c(O)cc(O)c2cc(-c3c(CC=C(C)C)c(O)cc4c3CCC(C)(C)O4)oc12 ZINC000013373275 JK Annotated Mild C=C(C)[C@@H](C)c1c(O)cc(O)c2cc(-c3c4c(cc5c3CCC(C)(C)O5)OC(C)(C)CC4)oc12 ZINC000013373277 JK Annotated Mild CC(C)=CCC[C@@]1(C)Oc2cc(-c3cc4ccc(O)cc4o3)c(CC=C(C)C)c(O)c2C[C@@H]1O ZINC000013373281 JK Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2cc(-c3c(CC=C(C)C)c(O)cc(O)c3CC=C(C)C)oc12 ZINC000013373287 JK Annotated Mild C=C(C)[C@@H](C)c1c(O)cc(O)c2cc(-c3c(CC=C(C)C)c(O)cc(O)c3CC=C(C)C)oc12 ZINC000013373290 JK Annotated Mild CC(C)=CCOc1c(C)cc(O)c2c1[C@H](O)Oc1c(CC=C(C)C)cc(CC=C(C)C)c(O)c1C2=O ZINC000013373326 JK Annotated Anodyne CC(C)=CCOc1c(C)cc(O)c2c1[C@@H](O)Oc1c(CC=C(C)C)cc(CC=C(C)C)c(O)c1C2=O ZINC000013373327 JK Annotated Anodyne C=CC(C)(C)n1cc(-c2c(OC)c(OC)c(-c3c[nH]c4ccccc34)c(OC)c2OC)c2ccccc21 ZINC000013373934 JK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1-c1c(O)c(OC)c(-c2c[nH]c3ccccc23)c(O)c1OC ZINC000013373935 JK Annotated Mild COc1c(OC)c(-c2c[nH]c3c(CC=C(C)C)cccc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12 ZINC000013373936 JK Annotated Anodyne COC(=O)c1c(O)cc(O)cc1Oc1c(O)c(CC=C(C)C)c(CC=C(C)C)c(OC)c1OC ZINC000013374247 JK Annotated Anodyne CO/C(=C\C(=O)N(C)[C@@H](Cc1ccccc1)c1nccs1)C[C@H](C)C(Cl)(Cl)Cl ZINC000013375587 JK Annotated Anodyne CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)c2cc3c(O)c(C)cc(O)c3c(O)c2C1=O ZINC000013375742 JK Annotated Mild CC(C)=CCC/C(C)=C/Cn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(-c4ccccc4)c3cc21 ZINC000013375847 JK Annotated Bother CCCCCc1cc2ccc3c(O)c4c(cc3c2c(O)c1C(=O)O)C(=O)c1cc(O)cc(O)c1C4=O ZINC000013376476 JK Annotated Clean in-vitro COC1=C(C)C2=C(C(=O)C1(C)C)[C@H](C(C)C)c1c(c(C)c(O)c3c1O[C@H](c1ccccc1)CC3=O)O2 ZINC000013376819 JK Annotated Mild in-vitro COC1=C(C)C2=C(C(=O)C1(C)C)[C@@H](C(C)C)c1c(c(C)c(O)c3c1O[C@H](c1ccccc1)CC3=O)O2 ZINC000013376820 JK Annotated Mild in-vitro COC1=C(C)C2=C(C(=O)C1(C)C)[C@@H](C(C)C)c1c(c(C)c(O)c3c1O[C@@H](c1ccccc1)CC3=O)O2 ZINC000013376822 JK Annotated Mild in-vitro biogenic COc1cc(C)c(OC)c(C/C=C(\C)CC(=O)C[C@]2(C)CCC[C@]2(C)C(=O)CCC(C)(C)O)c1 ZINC000013376977 JK Annotated Anodyne CC(C)=CCC[C@](C)(NC(=O)N[C@@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1)[C@H]1CC=C(C)CC1 ZINC000013377761 JK Annotated Anodyne Cn1c2c3ccccc3nc-2c(-c2c3nc4ccccc4c-3n(C)c3ccccc23)c2ccccc21 ZINC000013377779 JK Annotated Clean COc1cc2c(c(O)c1C(C)=O)C=C([C@H](C)c1c(OC)cc3c(c1OC)C=CC(C)(C)O3)C(C)(C)O2 ZINC000013378039 JK Annotated Anodyne C/C1=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(/C)CC/C=C(/C)CC2)CC/C(C)=C\CC1 ZINC000013378048 JK Annotated Anodyne COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1cc(Cc3ccc(O)cc3)c(O)cc1CC2 ZINC000013378062 JK Annotated Anodyne in-vitro biogenic COc1cc(O)c(Cc2ccc(O)cc2)c2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c12 ZINC000013378064 JK Annotated Bother in-vitro biogenic COc1c(C)c(OCC=C(C)C)cc2c1COCc1c(cc(OCC=C(C)C)c(C)c1OC)COC2 ZINC000013378413 JK Annotated Anodyne COc1c(C)c(OCC=C(C)C)cc2c1COCc1cc(OCC=C(C)C)c(C)c(OC)c1COC2 ZINC000013378414 JK Annotated Anodyne COc1cc(O)c(-c2c(O)cc3c(c2OC)-c2ccc(O)cc2CC3)c2c1-c1ccc(O)cc1CC2 ZINC000013378518 JK Annotated Anodyne in-vitro biogenic COc1cc(Oc2c(O)cc(OC)c3c2CCc2cc(O)ccc2-3)cc2c1-c1ccc(O)cc1CC2 ZINC000013378519 JK Annotated Anodyne in-vitro biogenic COc1cc(O)c2c(c1)CCc1cc(Oc3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)ccc1-2 ZINC000013378520 JK Annotated Anodyne in-vitro biogenic COc1cc(Oc2c(O)cc(OC)c3c2ccc2cc(O)ccc23)cc2c1-c1ccc(O)cc1CC2 ZINC000013378521 JK Annotated Bother in-vitro biogenic COc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3ccc3cc(O)ccc34)cc1CC2 ZINC000013378522 JK Annotated Bother O=C(/C=C/c1ccc(O)c(C2=Cc3ccc(O)cc3O[C@H]2c2ccc(O)cc2)c1)c1ccc(O)cc1O ZINC000013378672 JK Annotated Mild C=C[C@@](C)(/C=C/[C@H](C)CC(=O)C[C@H](C)CC[C@@H](C)C(=C)C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000013378889 JK Annotated Mild CCCCC(=O)CCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000013380078 JK Annotated Anodyne CCCC(=O)CCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000013380079 JK Annotated Anodyne CCC/C=C/CCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000013380081 JK Annotated Anodyne CCC/C=C/CCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000013380085 JK Annotated Anodyne CCC/C=C/CCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000013380086 JK Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(Oc3cc4c(cc3C(C)C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@H]2CC1 ZINC000013382629 JK Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)C2=C(OC(=O)C[C@@H]2c2ccccc2)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013382640 JK Annotated Mild CC[C@H](C)C(=O)C1=C(O)C2=C(OC(=O)C[C@@H]2c2ccccc2)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013382641 JK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)C2=C(OC(=O)C[C@H]2c2ccccc2)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013382642 JK Annotated Mild CC[C@H](C)C(=O)C1=C(O)C2=C(OC(=O)C[C@H]2c2ccccc2)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013382643 JK Annotated Mild C[C@H]1N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000013383661 JK Annotated Anodyne in-man endogenous C[C@@H]1N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000013383662 JK Annotated Anodyne in-man CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000013383663 JK Annotated Anodyne in-man endogenous CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@H]3C ZINC000013383664 JK Annotated Anodyne in-man CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N=C3C ZINC000013383665 JK Annotated Anodyne in-man endogenous CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N=C3C ZINC000013383666 JK Annotated Anodyne in-man endogenous CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@H](CCCCCCCC(=O)O[C@H]1CC2)N=C3C ZINC000013383667 JK Annotated Anodyne in-man Oc1cc(O)cc([C@@H]2c3c(cc(O)c4c3ccc3cc(O)c(O)cc34)O[C@H]2c2ccc(O)c(O)c2)c1 ZINC000013384046 JK Annotated Clean in-vitro biogenic Oc1cc(O)cc([C@H]2c3c(cc(O)c4c3ccc3cc(O)c(O)cc34)O[C@@H]2c2ccc(O)c(O)c2)c1 ZINC000013384047 JK Annotated Clean Oc1cc(O)cc(/C=C/c2ccc3c(c2)O[C@@H]2c4ccc(O)c(O)c4-c4c(O)cc(O)cc4[C@H]2O3)c1 ZINC000013384063 JK Annotated Clean CC(=O)O[C@H](CC/C(C)=C/CCc1ccc2c(c1)C(=O)C(C)=CC2=O)[C@@](C)(O)CCC=C(C)C ZINC000013385257 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C ZINC000013387062 JK Annotated Anodyne COc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=CC(C)(C)O4)cc2c1[nH]c1ccccc12 ZINC000013387649 JK Annotated Anodyne COc1cc(O)ccc1CC[C@@H](c1ccc(O)cc1)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1 ZINC000013404619 JK Annotated Anodyne COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1 ZINC000013404623 JK Annotated Anodyne CCCCCC[C@@H](C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000013405171 JK Annotated Mild CCCCCC[C@H](C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000013405176 JK Annotated Mild CCCCCc1cc(OC)c(OC)c2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2 ZINC000013405414 JK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000013406138 JK Annotated Mild in-man endogenous CCCCCc1cc(O)cc(OC)c1C(=O)Oc1c(OC)cc(CCCCC)c(C(=O)O)c1O ZINC000013411209 JK Annotated Anodyne O=C(c1c2ccccc2nc2c1[nH]c1ccccc12)c1c2ccccc2nc2c1[nH]c1ccccc12 ZINC000013411359 JK Annotated Bother C=C(C)[C@@H]1[C@H](c2cc(CCNC)ccc2OC)C=C(C)C[C@H]1c1cc(CCNC)ccc1OC ZINC000013412126 JK Annotated Mild C=C(C)[C@@H](C/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O)CC/C(=C/CCc1ccoc1)C(=O)O ZINC000013412225 JK Annotated Mild C=C(C)[C@H](C/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O)CC/C(=C/CCc1ccoc1)C(=O)OC ZINC000013412235 JK Annotated Mild C=C(C)[C@@H](C/C=C(\C)CC/C=C(/C)CCC=C(C)C)CC/C(=C/CCc1ccoc1)C(=O)O ZINC000013412251 JK Annotated Mild C=C(C)[C@@H](C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CO)CC/C(=C/CCc1ccoc1)C(=O)O ZINC000013412261 JK Annotated Mild C=C(C)[C@@H](C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CO)CC/C(=C/CCc1ccoc1)C(=O)O ZINC000013412269 JK Annotated Mild c1cc2c[n+](c1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCC2 ZINC000013430338 JK Annotated Anodyne c1cc2c[n+](c1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCC2 ZINC000013430340 JK Annotated Anodyne c1cc2c[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCC2 ZINC000013430342 JK Annotated Anodyne c1cc2c[n+](c1)CCCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCC2 ZINC000013430343 JK Annotated Anodyne Oc1ccc(C2=C(c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)c3c(O)cc(O)cc3C2)cc1 ZINC000013430834 JK Annotated Anodyne CCCC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O ZINC000013432965 JK Annotated Anodyne C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)[C@@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)OC(=O)CC(C)C ZINC000013432971 JK Annotated Anodyne C/C(=C\Cn1cnc2c1c(=O)nc(C)n2C)CC[C@@]1(C)[C@H](C)CC[C@]2(O)[C@@H]1CCCC2(C)C ZINC000013433537 JK Annotated Anodyne CCCCCC(=O)Cc1cc(O)cc2c1Oc1cc(O)cc(CC(=O)CCCCC)c1C(=O)O2 ZINC000013433607 JK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc5C)cc1n2)c(CC)c4C)c(CC)c3C ZINC000013434151 JK Annotated Bother COc1c2cccc(C)c2c(Cc2oc3c(O)c4c(c(C)c3c2C)[C@H](C)CCC4)c2c(C)coc12 ZINC000013434261 JK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(c(CC)c4C)c4c5[nH]c(cc1n2)c(C)c5CC4)c(C)c3CC ZINC000013437202 JK Annotated Bother O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(F)cc1)C1CCNCC1 ZINC000013437291 JK Annotated Mild O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cccc(Cl)c1)C1CCNCC1 ZINC000013437302 JK Annotated Anodyne O=C(COc1cc(F)cc(C(F)(F)F)c1)N(c1ccc(Cl)c(Cl)c1)C1CCNCC1 ZINC000013437317 JK Annotated Anodyne Fc1cccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437513 JK Annotated Anodyne N#Cc1cccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437520 JK Annotated Mild O=[N+]([O-])c1cccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437524 JK Annotated Bother COc1ccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1OC ZINC000013437556 JK Annotated Anodyne COc1ccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1F ZINC000013437560 JK Annotated Anodyne C[C@@H](Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1 ZINC000013439002 JK Annotated Anodyne C[C@H](Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1 ZINC000013439006 JK Annotated Anodyne C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@H](O)[C@@H](C)N ZINC000013439017 JK Annotated Anodyne CC(C)(C)C(=O)OCN1c2ccc(-c3csc(C#N)c3)cc2C(C)(C)O[C@@H]1C(F)(F)F ZINC000013439673 JK Annotated Mild CC(C)(C)C(=O)OCN1c2ccc(-c3csc(C#N)c3)cc2C(C)(C)O[C@H]1C(F)(F)F ZINC000013439675 JK Annotated Mild Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc4c(c3)OCO4)c1)c1cccc(Cl)c21 ZINC000013439793 JK Annotated Anodyne O=C1CN(Cc2cncn2Cc2ccc(-c3cccc(Cl)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000013440902 JK Annotated Anodyne O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(Cl)cc3)nc2)CCN1c1cccc(Cl)c1 ZINC000013440906 JK Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442708 JK Annotated Anodyne CC(C)CN(CC(C)C)c1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(=O)C1CC1)C2 ZINC000013442741 JK Annotated Anodyne CC(=O)c1cccc(NC(=O)NCCCN2CC[C@H](Cc3ccccc3)C[C@@H]2[C@@H](O)CC(C)C)c1 ZINC000013443672 JK Annotated Anodyne CC(=O)c1cccc(NC(=O)NCCCN2CC[C@H](Cc3ccccc3)C[C@@H]2[C@H](O)CC(C)C)c1 ZINC000013443675 JK Annotated Anodyne CCCC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443681 JK Annotated Anodyne CC(C)[S@@+](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000013447459 JK Annotated Anodyne C[C@H](CCc1nccn1C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000013447476 JK Annotated Anodyne C#CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000013448413 JK Annotated Mild NC(=O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448490 JK Annotated Anodyne CNC(=O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448493 JK Annotated Anodyne Cc1sc(C)c2[nH]c([S@@](=O)Cc3cc(OCC(F)(F)C(F)(F)C(F)(F)F)ccn3)nc12 ZINC000013448879 JK Annotated Mild Cc1sc(C)c2[nH]c([S@](=O)Cc3cc(OCC(F)(F)C(F)(F)C(F)(F)F)ccn3)nc12 ZINC000013448882 JK Annotated Mild CSCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450100 JK Annotated Anodyne COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(ccc(C)c35)C(=O)N4)cc2)cc1 ZINC000013450194 JK Annotated Anodyne COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(ccc(C)c35)/C(=N/O)N4)cc2)cc1 ZINC000013450209 JK Annotated Mild Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c13)NC2=O ZINC000013450227 JK Annotated Bother CCCCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN(CCC)CCC)cc1 ZINC000013451409 JK Annotated Anodyne CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451421 JK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C3CC3)cn3ccccc23)cc1 ZINC000013451451 JK Annotated Anodyne CCCCCN(CCCCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451460 JK Annotated Anodyne CCCCN(CCCC)CCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451464 JK Annotated Anodyne CCCCN(CCCC)CCCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451468 JK Annotated Anodyne CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNCCc2ccccc2)cc1 ZINC000013451490 JK Annotated Anodyne CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNCc2ccccc2)cc1 ZINC000013451495 JK Annotated Anodyne CCCCN(CCCC)CCCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451515 JK Annotated Anodyne CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452585 JK Annotated Anodyne CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452590 JK Annotated Anodyne CN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452595 JK Annotated Anodyne CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCOC(C)=O)c2cc3ccccc3cc21 ZINC000013452969 JK Annotated Clean CCn1c2[n+](c3cc4ccccc4cc31)[C@H](C)C/C2=C\C=C1\N(C)c2ccc3ccccc3c2C1(C)C ZINC000013452999 JK Annotated Clean CCn1c2[n+](c3cc4ccccc4cc31)[C@@H](C)C/C2=C\C=C1\N(C)c2ccc3ccccc3c2C1(C)C ZINC000013453004 JK Annotated Clean CCCCOC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)OCCCC)cc(C)cc1C2=O ZINC000013454770 JK Annotated Clean CNC(=O)CN1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455588 JK Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455591 JK Annotated Anodyne C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCCC(=O)O)CC1 ZINC000013455625 JK Annotated Anodyne C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCCC(=O)O)CC1 ZINC000013455629 JK Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1ccc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455639 JK Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1ccc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455643 JK Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(OC)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455659 JK Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(OC)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455662 JK Annotated Anodyne COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2 ZINC000013455677 JK Annotated Anodyne COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2 ZINC000013455680 JK Annotated Anodyne COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2 ZINC000013455695 JK Annotated Anodyne COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2 ZINC000013455698 JK Annotated Anodyne CCc1c(C)c2cc3nc(cc4[nH]c(c(CC)c4C)c4c5nc(cc1[nH]2)c(C)c5CCC4)c(C)c3C ZINC000013458592 JK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc5c(c4C)CC[C@@H](C)c5c4cc(C)c(cc1n2)[nH]4)c(C)c3CC ZINC000013458594 JK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc5c(c4C)CC[C@@H](C)c5c4cc(C)c(cc1n2)[nH]4)c(C)c3C ZINC000013458596 JK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc5c(c4C)CCCc5c4[nH]c(cc1n2)c(C)c4CC)c(C)c3C ZINC000013458598 JK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc5c(c4C)[C@@H](C)Cc5c4cc(C)c(cc1n2)[nH]4)c(C)c3CC ZINC000013458697 JK Annotated Bother CC(C)=CCc1c2c(c3oc4c(O)c5c(cc4c(=O)c3c1O)C=CC(C)(C)O5)C(C)(C)[C@H](C)O2 ZINC000013460095 JK Annotated Bother CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1O[C@H](C(C)(C)O)C2 ZINC000013461720 JK Annotated Anodyne in-vitro biogenic CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1O[C@@H](C(C)(C)O)C2 ZINC000013461722 JK Annotated Anodyne COc1c(O)cc2c(c1Oc1ccc(CCc3cccc(O)c3)cc1)-c1ccc(O)c(O)c1CC2 ZINC000013462346 JK Annotated Clean COc1c(O)cc2c(c1Oc1ccc(CCc3cccc(O)c3O)cc1)-c1ccc(O)c(O)c1CC2 ZINC000013462348 JK Annotated Clean CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](I)[C@@H]1CCC(=O)O1 ZINC000013462695 JK Annotated Reactive CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](I)[C@@H]1CCC(=O)O1 ZINC000013462698 JK Annotated Reactive CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](I)[C@H]1CCC(=O)O1 ZINC000013462700 JK Annotated Reactive CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](I)[C@H]1CCC(=O)O1 ZINC000013462702 JK Annotated Reactive CC(=O)Oc1cc2c(cc1Cl)[C@@]1(C[C@@H](c3ccccc3Cl)O2)CC(C)(C)NC(=S)N1 ZINC000013468714 JK Annotated Anodyne aggregator CC(=O)Oc1cc2c(cc1Cl)[C@]1(C[C@@H](c3ccccc3Cl)O2)CC(C)(C)NC(=S)N1 ZINC000013468716 JK Annotated Anodyne aggregator CCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O ZINC000013473148 JK Annotated Anodyne C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC(=O)c1ccccc1 ZINC000013473236 JK Annotated Mild COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000013474124 JK Annotated Anodyne C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br ZINC000013474189 JK Annotated Clean CCCCCOc1nc(N)nc2ncc(/C(Br)=C(\Br)c3ccccc3)nc12 ZINC000013474479 JK Annotated Anodyne CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)O[C@H]1c2ccc(SC)cc2CCN1C3 ZINC000013474845 JK Annotated Anodyne CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)O[C@@H]1c2ccc(SC)cc2CCN1C3 ZINC000013474846 JK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3cccc(Br)c3)CC2)CC1 ZINC000013474971 JK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000013474980 JK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC([C@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC000013474981 JK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC([C@@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC000013474982 JK Annotated Anodyne C=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000013474983 JK Annotated Mild Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 ZINC000013474984 JK Annotated Anodyne CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nc21 ZINC000013475188 JK Annotated Anodyne O=C(O)Cc1ccc(C=C2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)c(F)c1 ZINC000013475219 JK Annotated Anodyne Cc1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)O)cc(O)c54)[nH]3)c2O)cc1C ZINC000013475412 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)O)cc(O)c54)[nH]3)c2)cc1 ZINC000013475413 JK Annotated Anodyne C[N+]1(Cc2cc3c(cc2NC(=O)Nc2cccc(C#N)c2)OCO3)CCC(Cc2ccccc2)CC1 ZINC000013475869 JK Annotated Mild CC(=O)O[C@]1(C)CC(=O)c2c(cc3cc(OC/C=C(\C)CCC=C(C)C)cc(O)c3c2O)C1 ZINC000013480347 JK Annotated Anodyne CC(=O)O[C@@]1(C)CC(=O)c2c(cc3cc(OC/C=C(\C)CCC=C(C)C)cc(O)c3c2O)C1 ZINC000013480348 JK Annotated Anodyne in-vitro biogenic COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2 ZINC000013480452 JK Annotated Anodyne in-vitro biogenic CC(C)C1=CC2=CC=C3C(C)(C)C[C@@H](OC(=O)c4ccc(O)c(O)c4)C[C@@]3(C)C2=C(O)C1=O ZINC000013480790 JK Annotated Mild COc1cc(C(=O)O[C@@H]2CC(C)(C)C3=CC=C4C=C(C(C)C)C(=O)C(O)=C4[C@]3(C)C2)ccc1O ZINC000013480794 JK Annotated Mild COc1cc(C(=O)OC[C@@]2(C)CCC[C@@]3(C)C2=CC=C2C=C(C(C)C)C(=O)C(O)=C23)ccc1O ZINC000013480834 JK Annotated Mild COc1cc(C(=O)OC[C@]2(C)CCC[C@]3(C)C2=CC=C2C=C(C(C)C)C(=O)C(O)=C23)ccc1O ZINC000013480837 JK Annotated Mild CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OCC(=O)OCC)nc3C(F)(F)F)ccnc21 ZINC000013487166 JK Annotated Anodyne CCC[C@H](C)n1c(CC)nc2c(-c3ccc(OCC(=O)OCC)nc3C(F)(F)F)ccnc21 ZINC000013487167 JK Annotated Anodyne Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000013487465 JK Annotated Anodyne Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl ZINC000013487491 JK Annotated Anodyne COc1cc(CCCN(CCc2ccccc2)/C(S)=N/CCc2ccc(F)cc2)ccc1O ZINC000013487701 JK Annotated Mild COc1cc(CCCN(CCc2ccccc2)/C(S)=N/CCc2ccc(Cl)cc2)ccc1O ZINC000013487702 JK Annotated Mild COc1cc(CCCN(CCc2ccc(F)cc2)/C(S)=N/CCc2ccccc2)ccc1O ZINC000013487703 JK Annotated Mild COc1cc(CCCN(CCc2ccc(Cl)cc2)/C(S)=N/CCc2ccccc2)ccc1O ZINC000013487704 JK Annotated Mild COc1cc(CCCN(CCc2ccc(C)cc2)/C(S)=N/CCc2ccccc2)ccc1O ZINC000013487705 JK Annotated Mild COc1cc(CCCN(CCc2ccc([N+](=O)[O-])cc2)/C(S)=N/CCc2ccccc2)ccc1O ZINC000013487707 JK Annotated Mild CCCC[C@@H](C(=O)OC)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(CC(=O)O)c1=O ZINC000013488123 JK Annotated Anodyne C=CCn1cc(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)n([C@@H](CCCC)C(=O)O)c1=O ZINC000013488125 JK Annotated Mild CCN(CC)c1ccc([C@@H](CN2CCCC2)n2cccc(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000013488443 JK Annotated Clean CCN(CC)c1ccc([C@H](CN2CCCC2)n2cccc(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000013488444 JK Annotated Clean NC(=O)N(c1c(F)cccc1F)c1nc(-c2ccccc2F)nc2c1ncn2Cc1ccccc1 ZINC000013488584 JK Annotated Anodyne CCCCOP(=O)(CCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCCCC ZINC000013488978 JK Annotated Anodyne CCCCOP(=O)(CCCCC1(C(=O)NCCC)c2ccccc2-c2ccccc21)OCCCC ZINC000013488985 JK Annotated Anodyne N#CC1=C(c2cccc3ccccc23)CN(C(=O)Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC000013489045 JK Annotated Reactive Cn1ccnc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013489048 JK Annotated Anodyne Cn1ccnc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013489049 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1cncn1C ZINC000013489399 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1cncn1C ZINC000013489400 JK Annotated Anodyne CC[C@@H](CCc1ccc(O)c(OC)c1)N(Cc1ccccc1)/C(S)=N/CCc1ccccc1 ZINC000013489536 JK Annotated Mild CC[C@H](CCc1ccc(O)c(OC)c1)N(Cc1ccccc1)/C(S)=N/CCc1ccccc1 ZINC000013489537 JK Annotated Mild CC[C@@H](CCc1ccc(O)c(OC)c1)N(CCc1ccccc1)/C(S)=N/CCc1ccccc1 ZINC000013489538 JK Annotated Mild CC[C@H](CCc1ccc(O)c(OC)c1)N(CCc1ccccc1)/C(S)=N/CCc1ccccc1 ZINC000013489539 JK Annotated Mild O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccc(Br)cc1 ZINC000013489816 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1cccc(F)c1)C(F)(F)F ZINC000013490886 JK Annotated Mild O[C@H](CN(Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1cccc(F)c1)C(F)(F)F ZINC000013490887 JK Annotated Mild O[C@@H](CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490894 JK Annotated Anodyne O[C@H](CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490895 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(OCC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490902 JK Annotated Anodyne O[C@H](CN(Cc1cccc(OCC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490903 JK Annotated Anodyne CC(C)(C)Oc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490906 JK Annotated Anodyne CC(C)(C)Oc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490907 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(SC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490912 JK Annotated Anodyne O[C@H](CN(Cc1cccc(SC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490913 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(C2CCCC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490916 JK Annotated Anodyne O[C@H](CN(Cc1cccc(C2CCCC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490917 JK Annotated Anodyne Fc1ccc(C(OCCC2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1 ZINC000013491395 JK Annotated Anodyne O=C1CCC(c2c(-c3cccc(C(F)(F)F)c3)nc3ccccn23)=NN1c1ccccc1Cl ZINC000013493048 JK Annotated Anodyne Cc1c(CNCc2ccccc2)nc(O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000013494053 JK Annotated Anodyne Cc1c(/C=C/CN2CCOCC2)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000013494061 JK Annotated Anodyne CCNC/C=C/c1nc(O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494063 JK Annotated Anodyne Cc1c(/C=C/CN2CCCC2)nc(O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000013494064 JK Annotated Anodyne Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OCc1cccc(C(F)(F)F)c1 ZINC000013518303 JK Annotated Anodyne Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013518312 JK Annotated Anodyne Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000013518371 JK Annotated Anodyne CC(C)Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@@H](O)C(F)(F)F)c1 ZINC000013519986 JK Annotated Mild CC(C)Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@H](O)C(F)(F)F)c1 ZINC000013519990 JK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCC2)c1)C(F)(F)F ZINC000013519993 JK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCC2)c1)C(F)(F)F ZINC000013519998 JK Annotated Mild CC(C)(CC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O ZINC000013521336 JK Annotated Anodyne Cc1ccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c(Cl)c1 ZINC000013521935 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1 ZINC000013522124 JK Annotated Bother C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000013524893 JK Annotated Bother O=C(O)[C@@H]1[C@@H](Sc2ccc(-c3ccc(Cl)cc3)cc2)CC[C@H]1Cn1nc2ccccn2c1=O ZINC000013525904 JK Annotated Anodyne O=C(CNC1CCCC1)N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000013529578 JK Annotated Anodyne O=C(CNC1CCCC1)N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000013529582 JK Annotated Anodyne C/C(=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1)C(C)C ZINC000013529627 JK Annotated Anodyne Cc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(Cl)c4c3)c2)c1 ZINC000013531415 JK Annotated Anodyne CCCCCn1cncc1CNc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2)c1 ZINC000013533179 JK Annotated Anodyne CCN(CC)CCCc1cccc2c1[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O ZINC000013535160 JK Annotated Bother COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCc1ccccc1 ZINC000013536032 JK Annotated Mild COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1/C=C/CCCc1ccccc1 ZINC000013536036 JK Annotated Anodyne CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 ZINC000013537628 JK Annotated Anodyne C/C(=C/C[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000013540329 JK Annotated Clean in-man C/C(=C/C[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000013540331 JK Annotated Clean in-man C/C(=C/C[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000013540333 JK Annotated Clean in-man O=C(Nc1csc(Cc2c(Cl)cccc2Cl)n1)NN(Cc1ccccc1)Cc1ccccc1 ZINC000013553602 JK Annotated Reactive O=C(NOCc1c(F)c(F)c(F)c(F)c1F)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000013553625 JK Annotated Anodyne Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CNC(=O)c5ccc6ccccc6c5)c4)o3)cc21 ZINC000013553712 JK Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CNC(=O)c5cccc6ccccc56)c4)o3)cc21 ZINC000013553713 JK Annotated Mild COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCCc1ccccc1)=C2 ZINC000013553844 JK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCCc1ccccc1)=C2 ZINC000013553845 JK Annotated Anodyne CCN(CC)CCSc1cc(C)nc2c(C)c3nc(C)cc(SCCN(CC)CC)c3cc12 ZINC000013554551 JK Annotated Bother CC(C)(C)c1ccc(C2=Cc3ccc(NC(=O)Cc4ccccn4)cc3C3=NCCCN23)cc1 ZINC000013555272 JK Annotated Anodyne CCOc1ccc(CC2=C(CCCc3cccc4ccccc34)N3CCCN=C3c3ccccc32)cc1 ZINC000013555280 JK Annotated Anodyne CCOc1ccc(CC2=C(c3ccc(CCc4ccccc4)cc3)N3CCCN=C3c3ccccc32)cc1 ZINC000013555282 JK Annotated Anodyne c1ccc(CCc2ccc(C3=C(Cc4ccccc4)c4ccccc4C4=NCCCN43)cc2)cc1 ZINC000013555284 JK Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)c1 ZINC000013556680 JK Annotated Anodyne COP(=O)(OC)c1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556740 JK Annotated Anodyne COP(=O)(OC)c1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556742 JK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)CS2)cc1)OCC ZINC000013556779 JK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)CS2)cc1)OCC ZINC000013556785 JK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)[C@H](C)S2)cc1)OCC ZINC000013556788 JK Annotated Anodyne CC(C)c1ccc(-c2csc(COc3ccc([C@@H](O/N=C/C(=O)O)C4CCCCC4)cc3)n2)cc1 ZINC000013557829 JK Annotated Mild CC(C)c1ccc(-c2csc(COc3ccc([C@H](O/N=C/C(=O)O)C4CCCCC4)cc3)n2)cc1 ZINC000013557830 JK Annotated Mild CCCC/C(=C\Cn1oc(=O)n(CC(=O)O)c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000013558176 JK Annotated Anodyne CC1(C)CC[C@]2(C=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013558229 JK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000013558231 JK Annotated Anodyne C=CCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000013558581 JK Annotated Mild CCOC(=O)CCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013558582 JK Annotated Anodyne NC1=N[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N(c2cccc(Cl)c2)C(N)=N1 ZINC000013559326 JK Annotated Anodyne NC1=N[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N(c2cccc(Cl)c2)C(N)=N1 ZINC000013559327 JK Annotated Anodyne NC1=N[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N(c2cccc(Cl)c2)C(N)=N1 ZINC000013559328 JK Annotated Anodyne NC1=N[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N(c2cccc(Cl)c2)C(N)=N1 ZINC000013559329 JK Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000013560031 JK Annotated Bother Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 ZINC000013560280 JK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 ZINC000013560285 JK Annotated Anodyne CC/C(=C\C=C\[C@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000013563339 JK Annotated Anodyne in-vitro CC/C(=C\C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000013563344 JK Annotated Anodyne in-vitro CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccc(Cl)cc3)cc12 ZINC000013564683 JK Annotated Anodyne C/C(=N\CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C(O)C[C@@H](c2ccccc2)CC1=O ZINC000013572750 JK Annotated Mild CC/C(=N\CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C(O)C[C@@H](c2ccccc2)CC1=O ZINC000013572766 JK Annotated Mild N#CN/C(=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(c2cccc(Cl)c2)CCC1 ZINC000013580106 JK Annotated Mild CC(C)(C)c1ccc(Cn2cc(C(=O)C(=O)O)c3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)cc1 ZINC000013580614 JK Annotated Anodyne CC[C@H](C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000013581734 JK Annotated Anodyne CC[C@@H](C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000013581736 JK Annotated Anodyne CCc1nc2c(n1Cc1cccc3ccccc13)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582829 JK Annotated Anodyne CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)[C@H](CC)N2c1ccc(Cl)cc1Cl ZINC000013582863 JK Annotated Anodyne CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)[C@@H](CC)N2c1ccc(Cl)cc1Cl ZINC000013582866 JK Annotated Anodyne CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 ZINC000013583173 JK Annotated Anodyne CC[C@H](C)COc1nc(N2CCCCC2)c2nc(OC[C@@H](C)CC)nc(N3CCCCC3)c2n1 ZINC000013583342 JK Annotated Anodyne CC[C@@H](C)COc1nc(N2CCCCC2)c2nc(OC[C@H](C)CC)nc(N3CCCCC3)c2n1 ZINC000013583345 JK Annotated Anodyne CC[C@H](C)COc1nc(N2CCCCC2)c2nc(OC[C@H](C)CC)nc(N3CCCCC3)c2n1 ZINC000013583347 JK Annotated Anodyne CCCOc1nc(N(C)Cc2ccccc2)c2nc(OCCC)nc(N(C)Cc3ccccc3)c2n1 ZINC000013583388 JK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000013584225 JK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000013584228 JK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(C#N)cn21 ZINC000013584238 JK Annotated Mild C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(C#N)cn21 ZINC000013584240 JK Annotated Mild Cc1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584246 JK Annotated Anodyne Cc1cnc2n1[C@@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584249 JK Annotated Anodyne COc1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584252 JK Annotated Anodyne COc1cnc2n1[C@@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584255 JK Annotated Anodyne Oc1ccc(-c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2-c2ccc(O)cc2)cc1 ZINC000013585032 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccs3)[nH]c(=O)c12 ZINC000013585158 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 ZINC000013585164 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3OC)[nH]c(=O)c12 ZINC000013585166 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12 ZINC000013585173 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12 ZINC000013585179 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12 ZINC000013585188 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N(C)C)cc3)[nH]c(=O)c12 ZINC000013585193 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(C)c3)[nH]c(=O)c12 ZINC000013585195 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12 ZINC000013585197 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(OC)c3)[nH]c(=O)c12 ZINC000013585199 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12 ZINC000013585201 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12 ZINC000013585208 JK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(C)=O)cc3)[nH]c(=O)c12 ZINC000013585212 JK Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccccc4)n3)c2)CCOCC1 ZINC000013585658 JK Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(F)cc4)n3)c2)CCOCC1 ZINC000013585660 JK Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)n3)c2)CCOCC1 ZINC000013585663 JK Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(C)cc4)n3)c2)CCOCC1 ZINC000013585665 JK Annotated Anodyne COc1ccc(-n2nc(COc3cc(F)cc(C4(OC)CCOCC4)c3)cc2-c2ccccc2)cc1 ZINC000013585668 JK Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(C)c(C)c4)n3)c2)CCOCC1 ZINC000013585670 JK Annotated Anodyne CC(C)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000013585896 JK Annotated Anodyne COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1 ZINC000013586347 JK Annotated Mild CCN(CC)c1ccc(NC(=O)[C@@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 ZINC000013586599 JK Annotated Anodyne CCN(CC)c1ccc(NC(=O)[C@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 ZINC000013586600 JK Annotated Anodyne O=C1NCc2nc(Sc3ccc(Cl)cc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587239 JK Annotated Anodyne C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3C(F)(F)F)C(=O)CCC2)cc1 ZINC000013587292 JK Annotated Mild CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3c(Cl)cccc3Cl)C(=O)CCC2)cc1F ZINC000013587321 JK Annotated Mild Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(CCCN3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013587744 JK Annotated Anodyne Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(CCCN3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013587745 JK Annotated Anodyne CCCN1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587760 JK Annotated Clean CCCN1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587761 JK Annotated Clean CC(C)N1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587762 JK Annotated Clean CC(C)N1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587763 JK Annotated Clean CC(C)CN1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587764 JK Annotated Clean CC(C)CN1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587765 JK Annotated Clean Cn1cncc1[C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587819 JK Annotated Anodyne Cn1cncc1[C@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587820 JK Annotated Anodyne Cn1cnnc1[C@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587821 JK Annotated Anodyne Cn1cnnc1[C@@](C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587824 JK Annotated Anodyne Cn1cnnc1[C@](C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587825 JK Annotated Anodyne Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nccn12 ZINC000013587830 JK Annotated Anodyne Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nccn12 ZINC000013587831 JK Annotated Anodyne Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12 ZINC000013587834 JK Annotated Anodyne Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12 ZINC000013587835 JK Annotated Anodyne Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1cnnn12 ZINC000013587840 JK Annotated Anodyne Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1cnnn12 ZINC000013587841 JK Annotated Anodyne OCCOCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588190 JK Annotated Anodyne Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCOCCO)cc5)sc34)ccc2[nH]1 ZINC000013588196 JK Annotated Anodyne Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc34)ccc2[nH]1 ZINC000013588198 JK Annotated Anodyne O=C(O)c1cc(Br)c(Cl)cc1/N=C/c1nc(-c2ccc(C(F)(F)F)cc2)oc1O ZINC000013588216 JK Annotated Mild Cc1cc(SCc2cnc3c(c2)C(=O)Nc2c(C)cc(Cl)nc2N3C2CC2)cc(C)n1 ZINC000013589476 JK Annotated Anodyne Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589713 JK Annotated Anodyne Cc1cn(Cc2ccc(C(N)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589714 JK Annotated Anodyne Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589715 JK Annotated Bother Cc1cn(CCCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589719 JK Annotated Anodyne Cc1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589723 JK Annotated Anodyne c1ccc(C2N3Cc4cc(Cc5cccnc5)ccc4N2Cc2cc(Cc4cccnc4)ccc23)cc1 ZINC000013600180 JK Annotated Anodyne c1cncc(Cc2ccc3c(c2)CN2c4ccc(Cc5cccnc5)cc4CN3C2c2cccnc2)c1 ZINC000013600182 JK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCS[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000013600962 JK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCS[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000013600965 JK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013600991 JK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013600993 JK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601025 JK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601028 JK Annotated Anodyne C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O ZINC000013602165 JK Annotated Clean c1cc(-c2ccc(-c3ccc(C4=N[C@@H]5CCCC[C@H]5N4)cc3)o2)ccc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000013602500 JK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2cc1-c1cc2c(C=O)c(O)c(O)c(C(C)C)c2cc1C ZINC000013603187 JK Annotated Clean CC(C)c1ccc(O[C@](C)(C(=O)NS(=O)(=O)C(F)(F)F)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000013604914 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)C1=C(O)N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc21 ZINC000013605548 JK Annotated Anodyne C[C@H](c1ccc2oc(-c3ccccc3)cc2c1)N(O)C(=O)c1ccccc1-c1ccccc1C(=O)O ZINC000013606317 JK Annotated Anodyne C[C@@H](c1ccc2oc(-c3ccccc3)cc2c1)N(O)C(=O)c1ccccc1-c1ccccc1C(=O)O ZINC000013606318 JK Annotated Anodyne C[C@H](c1ccc2c(c1)Nc1ccccc1S2)N(O)C(=O)c1ccccc1-c1ccccc1C(=O)O ZINC000013606320 JK Annotated Anodyne C[C@@H](c1ccc2c(c1)Nc1ccccc1S2)N(O)C(=O)c1ccccc1-c1ccccc1C(=O)O ZINC000013606322 JK Annotated Anodyne CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(/C=N/Cc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606389 JK Annotated Mild CCCC[C@H]1Cc2cc(OC)ccc2-c2c(/C=N/Cc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606391 JK Annotated Mild CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(CNCc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606398 JK Annotated Anodyne CCCC[C@H]1Cc2cc(OC)ccc2-c2c(CNCc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606400 JK Annotated Anodyne Nc1nc(N)c2c(CNc3cc(Cl)c(-n4cccc4)c(Cl)c3)c(Br)sc2n1 ZINC000013606487 JK Annotated Anodyne CCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)c1ccccc1 ZINC000013607350 JK Annotated Anodyne O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCc2ccccc2C1 ZINC000013607391 JK Annotated Anodyne CN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000013607429 JK Annotated Anodyne Oc1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CCN(C4CCCC4)CC3)cc2)c1 ZINC000013607755 JK Annotated Clean Oc1cccc(N2CCc3cc(O)ccc3[C@H]2c2ccc(N3CCN(C4CCCC4)CC3)cc2)c1 ZINC000013607757 JK Annotated Clean Oc1cccc(N2CCc3cc(O)ccc3[C@H]2c2ccc(N3CCN(C4CCCCC4)CC3)cc2)c1 ZINC000013607760 JK Annotated Clean Oc1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CCN(C4CCCCC4)CC3)cc2)c1 ZINC000013607763 JK Annotated Clean C[C@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000013609020 JK Annotated Reactive c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1 ZINC000013610268 JK Annotated Anodyne c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1 ZINC000013610271 JK Annotated Anodyne c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 ZINC000013610274 JK Annotated Anodyne c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 ZINC000013610426 JK Annotated Anodyne CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000013610681 JK Annotated Anodyne CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000013610684 JK Annotated Anodyne O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3occc3c1)N(c1ncc(-c3ccccn3)cn1)C2 ZINC000013612964 JK Annotated Anodyne O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3occc3c1)N(c1ncc(-c3ccccn3)cn1)C2 ZINC000013612967 JK Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634797 JK Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634828 JK Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634908 JK Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)Nc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013634917 JK Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)Nc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013634929 JK Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634965 JK Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634975 JK Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013635034 JK Annotated Anodyne COc1ccc(OCc2n(CC(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)c3ccccc3[n+]2C)cc1 ZINC000013635116 JK Annotated Anodyne COc1ccc(OCc2n(CC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)c3ccccc3[n+]2C)cc1 ZINC000013635119 JK Annotated Anodyne COc1ccc(/C=N/n2c(C)nc3c4ccccc4nc-3c2O)cc1CN1CCCC(C)(C)C1 ZINC000013638863 JK Annotated Mild CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000013641282 JK Annotated Anodyne CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1 ZINC000013643143 JK Annotated Anodyne CCCC(CCC)N1CCc2cn(-c3ccc(S(C)(=O)=O)cc3Cl)c3nc(C)cc1c23 ZINC000013645744 JK Annotated Anodyne Cc1ccc2c(c1)cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000013646519 JK Annotated Anodyne Cc1cccc2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000013646530 JK Annotated Anodyne Cc1ccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c2c1 ZINC000013646533 JK Annotated Anodyne Cc1c(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)c2ccccc12 ZINC000013646543 JK Annotated Anodyne CN(C)C1CCN(C(=O)Cn2c(C3=CCCCC3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1 ZINC000013646668 JK Annotated Anodyne N#Cc1cccc(-c2ccc(N(C(=O)Nc3cccc(Cl)c3)C3CCN(C4CCCC4)CC3)cc2)c1 ZINC000013648080 JK Annotated Mild CC[C@@H](NCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21)c1ccccn1 ZINC000013649988 JK Annotated Anodyne CC[C@H](NCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21)c1ccccn1 ZINC000013649989 JK Annotated Anodyne CC(=O)Oc1cc2c3cc(OC(C)=O)c(OC(C)=O)c4cccc(c5cccc(c1OC(C)=O)c52)c43 ZINC000013650837 JK Annotated Bother C[C@@H]1Cc2cc(O)c(F)cc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@@H]21 ZINC000013651616 JK Annotated Anodyne C[C@@H]1Cc2c(ccc(O)c2F)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@@H]21 ZINC000013651617 JK Annotated Anodyne C[C@@H]1Cc2cc(O)c(F)cc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\I)[C@@H]21 ZINC000013651622 JK Annotated Anodyne C[C@@H]1Cc2c(ccc(O)c2F)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\I)[C@@H]21 ZINC000013651623 JK Annotated Anodyne CN(C)Cc1ccc2n1-c1cc(C(F)(F)F)ccc1SC2(c1ccccc1)c1ccccc1 ZINC000013651994 JK Annotated Clean COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(F)cc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000013652056 JK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)NC[C@@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000013652324 JK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)NC[C@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000013652325 JK Annotated Anodyne Cc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000013652453 JK Annotated Anodyne Cc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000013652454 JK Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013656738 JK Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013656755 JK Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013656757 JK Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656829 JK Annotated Anodyne Cc1cc(C)cc(SCc2noc(C(=O)NCc3ccccc3)c2C(=O)NCc2ccccc2)c1 ZINC000013657550 JK Annotated Anodyne O=C(NCc1ccccc1)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000013657559 JK Annotated Anodyne CN(C[C@H](c1ccccc1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659521 JK Annotated Anodyne CN(C[C@H](CC1CCCCC1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659524 JK Annotated Anodyne CN(C[C@@H](CC1CCCCC1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659527 JK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@H](c1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659547 JK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@H](CC1CCCCC1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659550 JK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@@H](CC1CCCCC1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659553 JK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@H](Cc1ccccc1)N(CCC(C)(C)C)N=O)N=O)N=O ZINC000013659580 JK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@@]32CC(c3ccccc3)=NO2)s1 ZINC000013660475 JK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@]32CC(c3ccccc3)=NO2)s1 ZINC000013660478 JK Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660531 JK Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660532 JK Annotated Anodyne CC(C)CCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCC(C)C ZINC000013660849 JK Annotated Anodyne O=C(Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1)c1ccc(Cl)cc1Cl ZINC000013660909 JK Annotated Bother CC(C)(C)c1ccc(C(=O)Nc2nc3c(ccc4onc(-c5ccccc5[N+](=O)[O-])c43)s2)cc1 ZINC000013660911 JK Annotated Bother COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000013660926 JK Annotated Anodyne CCOCc1c(C(=O)NC2=C(C(=O)OCC)C(CC)=Nc3ccccc3N2)oc2ccccc12 ZINC000013660962 JK Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000013661004 JK Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000013661007 JK Annotated Anodyne COc1ccc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 ZINC000013661020 JK Annotated Anodyne COc1ccc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 ZINC000013661022 JK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN(CC)CC)c3ccc(OC)cc3)c(OC)cc(OC)c12 ZINC000013661220 JK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN(CC)CC)c3ccc(OC)cc3)c(OC)cc(OC)c12 ZINC000013661222 JK Annotated Anodyne CCN(CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(C)cc(=O)oc12 ZINC000013661237 JK Annotated Anodyne CCN(CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(C)cc(=O)oc12 ZINC000013661239 JK Annotated Anodyne C=C[C@H](COCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br ZINC000013661615 JK Annotated Mild C=C[C@@H](COCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br ZINC000013661617 JK Annotated Mild CC(C)CN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661682 JK Annotated Anodyne CC(C)CN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661685 JK Annotated Anodyne CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CCc2ccccc2)CCC1=O ZINC000013661694 JK Annotated Anodyne CCCN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661696 JK Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](c2ccccc2)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013661807 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661831 JK Annotated Anodyne CN(C)c1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661833 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013661836 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661848 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000013661849 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013661851 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013661857 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661868 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013661871 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661873 JK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1/C=C/c1ccccc1)N(Cc1ccccc1)C2=O ZINC000013661878 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000013661903 JK Annotated Anodyne COc1ccc(-c2c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013661928 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2cc3ccccc3s2)cc1F ZINC000013661930 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661933 JK Annotated Anodyne COc1ccc(-c2cc3ccccc3s2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661968 JK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013662034 JK Annotated Anodyne CN(C)c1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662037 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662049 JK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013662051 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000013662054 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1/C=C/c1ccccc1 ZINC000013662086 JK Annotated Anodyne CC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 ZINC000013671556 JK Annotated Anodyne CC(SCCc1c(CCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 ZINC000013671564 JK Annotated Anodyne CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC(F)(F)F)c1CCC ZINC000013672383 JK Annotated Anodyne CC[C@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672751 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2ccc(OC[C@@H](CO)Cc3ccc(Br)cc3)cc2)cc1 ZINC000013673443 JK Annotated Clean CN(C)c1ccc(/C=C/c2ccc(OC[C@H](CO)Cc3ccc(Br)cc3)cc2)cc1 ZINC000013673445 JK Annotated Clean COC(=O)c1cc(/C(=C\CCN2CCOC2=O)c2cc(F)cc(C(F)(F)F)c2)cc(C)c1OC ZINC000013673834 JK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(F)cc(C(F)(F)F)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013673846 JK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000013673848 JK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(F)cc(C(F)(F)F)c1)c1cc(C)c2onc(OC)c2c1 ZINC000013673854 JK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(F)cc(C(F)(F)F)c1)c1cc(C)c2on(C)c(=O)c2c1 ZINC000013673859 JK Annotated Anodyne O=C(Nc1cc(CO)cc(CO)c1)c1[nH]c(-c2ccc3ccccc3c2)nc1CC1CCCCCC1 ZINC000013674680 JK Annotated Anodyne Cc1ccc(NC(=O)c2[nH]c(-c3ccccc3C)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O ZINC000013674711 JK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674738 JK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674740 JK Annotated Anodyne CC1(c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1 ZINC000013674744 JK Annotated Anodyne CC[C@@]1(c2ccc(COc3ccccc3C(C)=O)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675343 JK Annotated Anodyne CC[C@]1(c2ccc(COc3ccccc3C(C)=O)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675345 JK Annotated Anodyne CC(=O)OCCCc1ccc2c(c1)c1cc(CCCOC(C)=O)cc3c1c(c1ccccc1n3C)[n+]2C ZINC000013675626 JK Annotated Bother CC(=O)OCCCc1ccc2c(c1)n(C)c1cc(CCCOC(C)=O)cc3c4ccccc4[n+](C)c2c31 ZINC000013675628 JK Annotated Bother O=C(Nc1ccc(CO)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013676245 JK Annotated Anodyne O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000013676259 JK Annotated Anodyne CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)O)ccc3[n+]2CC)C=Cc2ccccc21 ZINC000013677268 JK Annotated Clean Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000013677350 JK Annotated Clean Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(Br)cc2)[nH]c1=O ZINC000013677547 JK Annotated Anodyne CCCCOc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677553 JK Annotated Anodyne COc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)c(OC)c1 ZINC000013677566 JK Annotated Anodyne CC(C)(C)c1ccc([N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000013677732 JK Annotated Bother C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000013677737 JK Annotated Bother C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013677739 JK Annotated Bother CC(C)(C)c1ccc([N+](C)(C)CCCNc2cc(Cl)ccc2Sc2ccccc2)cc1 ZINC000013677743 JK Annotated Bother CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc13)[C@H](C(=O)O)C[C@@H]2c1cccs1 ZINC000013679504 JK Annotated Anodyne CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc13)[C@H](C(=O)O)C[C@H]2c1cccs1 ZINC000013679506 JK Annotated Anodyne CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc13)[C@@H](C(=O)O)C[C@@H]2c1cccs1 ZINC000013679508 JK Annotated Anodyne CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc13)[C@@H](C(=O)O)C[C@H]2c1cccs1 ZINC000013679510 JK Annotated Anodyne O=c1[nH]c2sc(Cl)c(C3CCCCC3)c2c(O)c1-c1cccc(Oc2ccccc2)c1 ZINC000013680075 JK Annotated Anodyne O=C1[C@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680156 JK Annotated Anodyne O=C1[C@@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680158 JK Annotated Anodyne C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CCCC3)C=C2C1=O ZINC000013687468 JK Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CCCC3)C=C2C1=O ZINC000013687473 JK Annotated Mild C=CCN1C=C2C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C(c3ccco3)=C2C=C1CCCC ZINC000013687621 JK Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C(c3ccco3)=C2C=C1CCCC ZINC000013687627 JK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CC1 ZINC000013687632 JK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CC1 ZINC000013687636 JK Annotated Mild N#Cc1ccc(C(=O)/N=c2\cc(-c3ccccc3)n(C(=O)c3ccc(C#N)cc3)n2-c2ccccc2)cc1 ZINC000013704433 JK Annotated Mild CCCCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013726489 JK Annotated Bother CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000013726507 JK Annotated Bother CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000013726518 JK Annotated Bother CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000013726522 JK Annotated Bother CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000013726526 JK Annotated Mild O=C(O)CCCCCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013727560 JK Annotated Anodyne C[C@@H](CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O ZINC000013729817 JK Annotated Anodyne C[C@H](CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O ZINC000013729821 JK Annotated Anodyne C[C@@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)C1 ZINC000013730477 JK Annotated Anodyne C[C@@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)[nH]2)C1 ZINC000013730500 JK Annotated Anodyne Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3F)c2c1 ZINC000013731187 JK Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)NCCNC1(c2cc3ccccc3s2)CCCCC1 ZINC000013732138 JK Annotated Anodyne COC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)OC)[nH]c2ccccc12 ZINC000013734656 JK Annotated Reactive O=C(Nc1c(Cl)cccc1Cl)[C@@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735099 JK Annotated Anodyne O=C(Nc1c(Cl)cccc1Cl)[C@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735102 JK Annotated Anodyne CCN(CC)c1ccc(Nc2cc3c(cc2Nc2ccc(N(CC)CC)cc2)C(=O)NC3=O)cc1 ZINC000013735551 JK Annotated Anodyne CC[C@]1(CCCc2ccccc2)C(=O)N(c2c(OC)cc(OC)cc2OC)[C@@H]1c1ccccc1 ZINC000013737031 JK Annotated Anodyne CC[C@@]1(CCCc2ccccc2)C(=O)N(c2c(OC)cc(OC)cc2OC)[C@@H]1c1ccccc1 ZINC000013737033 JK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)n1c2cc(O)c(O)cc2c2c(Br)cc(O)c(O)c21 ZINC000013737766 JK Annotated Clean CC(C)(C)c1ccc(C(=O)n2c3cc(O)c(O)cc3c3c(Br)cc(O)c(O)c32)cc1 ZINC000013737767 JK Annotated Clean CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F ZINC000013740056 JK Annotated Anodyne COC(=O)CCc1c(SSc2c(CCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 ZINC000013740080 JK Annotated Reactive COc1cc(CCCCCCCCCCc2cc(OC)c3ccccc3[n+]2C)[n+](C)c2ccccc12 ZINC000013740391 JK Annotated Anodyne C[n+]1c(CCCCCCCCCCCCc2ccc3ccccc3[n+]2C)ccc2ccccc21 ZINC000013740392 JK Annotated Anodyne Cc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740414 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(-c4ccc(F)cc4)n4c5c(cccc35)CCC4)CC2)c1 ZINC000013740415 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(-c4ccc(Cl)cc4)n4c5c(cccc35)CCC4)CC2)c1 ZINC000013740416 JK Annotated Anodyne COc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740417 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(-c4ccc(O)cc4)n4c5c(cccc35)CCC4)CC2)c1 ZINC000013740418 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(Cc4ccccc4)n4c5c(cccc35)CCC4)CC2)c1 ZINC000013740419 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)C(C)(C)C)cc35)CCC4)CC2)c1 ZINC000013740432 JK Annotated Anodyne CCCCCCC(=O)c1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2 ZINC000013740433 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(Cc6ccccc6)cc35)CCC4)CC2)c1 ZINC000013740434 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)C6CCCCC6)cc35)CCC4)CC2)c1 ZINC000013740435 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(CC6CCCCC6)cc35)CCC4)CC2)c1 ZINC000013740436 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cccc35)CC[C@@H]4C3CCCCC3)CC2)c1 ZINC000013740437 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cccc35)CC[C@H]4C3CCCCC3)CC2)c1 ZINC000013740438 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cccc35)CC[C@H]4c3ccccc3)CC2)c1 ZINC000013740439 JK Annotated Anodyne CCCC[C@@H]1CCc2cc(OC)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000013740446 JK Annotated Anodyne CCCC[C@H]1CCc2cc(OC)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000013740447 JK Annotated Anodyne CC(C)(Cc1ccc(F)cc1C#N)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000013740495 JK Annotated Mild C=CC[C@@]1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000013740650 JK Annotated Mild C=CC[C@]1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000013740651 JK Annotated Mild CC(C)=CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013740814 JK Annotated Mild c1ccc(C(c2ccccc2)n2cc[n+]3c2[C@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000013741382 JK Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2n(Cc3ccc4ccccc4c3)cc[n+]21 ZINC000013741385 JK Annotated Anodyne Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccc(F)cc34)c3ccccc32)cc1 ZINC000013741541 JK Annotated Anodyne Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3cccc(F)c34)c3ccccc32)cc1 ZINC000013741542 JK Annotated Anodyne Fc1ccc(-n2cc(CCCCN3CCC4(CC3)COc3ccccc3C4)c3ccccc32)cc1 ZINC000013741551 JK Annotated Anodyne COC(=O)c1ccccc1SC[C@@H](CN(C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741937 JK Annotated Anodyne COC(=O)c1ccccc1SC[C@H](CN(C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741938 JK Annotated Anodyne CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCCCn2ccnc2)cc1C ZINC000013742192 JK Annotated Anodyne CCCC(=O)c1cnc2c(OCCCC(=O)Nc3ccncc3)cccc2c1Nc1ccccc1C ZINC000013742242 JK Annotated Anodyne CCCC(=O)c1cnc2c(OCCCNc3ccccn3)cccc2c1Nc1c(C)cccc1C ZINC000013742248 JK Annotated Anodyne CCCC(=O)c1cnc2c(OCCCC(=O)NC(C)(C)CO)cccc2c1Nc1c(C)cccc1C ZINC000013742253 JK Annotated Anodyne CCOC(=O)COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccc(F)cc3C)nc12 ZINC000013742304 JK Annotated Anodyne Cc1cc(C)cc(CN(C)C(=O)Nc2c(-c3ccccc3)c3cc(C)c(C)cc3c(=O)n2C)c1 ZINC000013742620 JK Annotated Anodyne CC(C)Oc1cc2c(cc1C(C)C)CCc1c(-c3ccc(C(=O)O)cc3)cn(Cc3cccnc3)c1-2 ZINC000013742708 JK Annotated Anodyne COc1cc2c(cc1C(C)C)CCc1c(-c3ccc(C(=O)O)cc3)cn(Cc3cccnc3)c1-2 ZINC000013742709 JK Annotated Anodyne Cc1cc2c(cc1OC(C)C)-c1c(c(-c3ccc(C(=O)O)cc3)cn1Cc1cccnc1)CC2 ZINC000013742710 JK Annotated Anodyne CC(C)Oc1cc2c(cc1Cl)CCc1c(-c3ccc(C(=O)O)cc3)cn(Cc3cccnc3)c1-2 ZINC000013742711 JK Annotated Anodyne Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=S)C2)cc1 ZINC000013743144 JK Annotated Anodyne Cc1nc2cnccc2n1-c1ccc([C@@H]2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1 ZINC000013743149 JK Annotated Anodyne Cc1nc2cnccc2n1-c1ccc([C@H]2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1 ZINC000013743150 JK Annotated Anodyne Cc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2 ZINC000013743156 JK Annotated Anodyne Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccc(Cl)cc4)nn(C)c3N(C)C(=O)C2)cc1 ZINC000013743180 JK Annotated Anodyne CCN1c2ncccc2C(=O)Nc2c(COc3ccccc3)cc(-c3cccc(OC)c3)nc21 ZINC000013744665 JK Annotated Anodyne C[n+]1ccc(NCCCCCCCCCCNc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745690 JK Annotated Anodyne C[n+]1ccc(OCCCCCCCCCCOc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745692 JK Annotated Anodyne C[n+]1ccc(SCCCCCCCCCCSc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745694 JK Annotated Anodyne C[n+]1ccc(CCCCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745696 JK Annotated Anodyne c1ccc2c(SCCCCCCCCCCSc3ccnc4ccccc34)ccnc2c1 ZINC000013745703 JK Annotated Anodyne CCCCN(CCCC)S(=O)(=O)NC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000013747487 JK Annotated Anodyne CCCCCN(CCCCC)S(=O)(=O)NC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000013747489 JK Annotated Anodyne Cc1cc(C)c(NC(=O)C(C)(C)CCCCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747641 JK Annotated Anodyne Cc1cc(C)c(NC(=O)C(C)(C)CCCCCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747650 JK Annotated Anodyne Cc1ccc(OCCCCCCC(C)(C)C(=O)Nc2c(C)cc(C)c3c2OC(C)(C)C3)cc1 ZINC000013747653 JK Annotated Anodyne CC1(CCCCN2CCOCC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000013755453 JK Annotated Clean CC1(CCCCN2CCSCC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000013755456 JK Annotated Clean CC1(CCCCn2ncc3ccccc32)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000013755461 JK Annotated Clean CC1(CCCCOCc2ccccc2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000013755462 JK Annotated Clean CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 ZINC000013755611 JK Annotated Anodyne CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 ZINC000013755612 JK Annotated Anodyne FC(F)(F)c1cccc(N2CCN(c3nc4sc(-c5ccccc5)cc4n4cccc34)CC2)c1 ZINC000013755982 JK Annotated Anodyne FC(F)(F)c1cccc(N2CCN(c3nc4scc(-c5ccccc5)c4n4cccc34)CC2)c1 ZINC000013755983 JK Annotated Anodyne O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC[C@@H](c1ccccc1)C(F)(F)F)N1CCCC1 ZINC000013756448 JK Annotated Anodyne O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC[C@H](c1ccccc1)C(F)(F)F)N1CCCC1 ZINC000013756450 JK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1SC[C@@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756938 JK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1SC[C@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756940 JK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756950 JK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1CC[C@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756952 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3cocn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757036 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757038 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3c[nH]cn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757040 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnco3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757042 JK Annotated Anodyne CC(C)N1CCN(CCN(C)CCc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O ZINC000013758601 JK Annotated Anodyne C/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12)C(=O)O ZINC000013758660 JK Annotated Anodyne CC/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12)C(=O)O ZINC000013758662 JK Annotated Anodyne C/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)C(=O)O ZINC000013758684 JK Annotated Anodyne CC/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)C(=O)O ZINC000013758688 JK Annotated Anodyne CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 ZINC000013758712 JK Annotated Anodyne COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 ZINC000013758982 JK Annotated Anodyne FC(F)(F)c1cc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc(C(F)(F)F)c1 ZINC000013759024 JK Annotated Anodyne O=C1C[C@](O)(c2cccc(COc3ccc4c(-c5ccccc5)c5c(cc4c3)C(=O)OC5)c2)CCO1 ZINC000013759140 JK Annotated Anodyne O=C1C[C@@](O)(c2cccc(COc3ccc4c(-c5ccccc5)c5c(cc4c3)C(=O)OC5)c2)CCO1 ZINC000013759142 JK Annotated Anodyne C[C@H](O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 ZINC000013759152 JK Annotated Anodyne Cn1nnc(-c2cc(-c3ccccc3)c3ccc(OCc4cccc(C5(O)CCOCC5)c4)cc3c2)n1 ZINC000013759161 JK Annotated Anodyne OC1(c2cccc(COc3ccc4c(-c5ccoc5)cc(C5=NCCO5)cc4c3)c2)CCOCC1 ZINC000013759167 JK Annotated Anodyne OC1(c2cccc(COc3ccc4c(-c5ccoc5)cc(C5=NCCS5)cc4c3)c2)CCOCC1 ZINC000013759170 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@H]5C=C[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000013759185 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@@H]5CC[C@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000013759187 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000013759190 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccccc1F ZINC000013759196 JK Annotated Anodyne COc1cccc(-c2c3c(cc4cc(OCc5cccc(C6(O)CCOCC6)c5)ccc24)C(=O)OC3)c1 ZINC000013759200 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1cccnc1 ZINC000013759202 JK Annotated Anodyne CCOc1c(Cl)cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl ZINC000013759881 JK Annotated Anodyne COc1ccc(N(C)C(=O)/C=C2\c3nc4ccccc4cc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000013759893 JK Annotated Anodyne CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013759894 JK Annotated Anodyne CCCCCCN(CCCCCC)C(=O)C[C@H]1c2ncccc2C(=O)N1c1ccc(Cl)cc1 ZINC000013759899 JK Annotated Anodyne CCCCCCN(CCCCCC)C(=O)C[C@@H]1c2ncccc2C(=O)N1c1ccc(Cl)cc1 ZINC000013759900 JK Annotated Anodyne CC(C)[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761711 JK Annotated Anodyne CC(C)[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761712 JK Annotated Anodyne CC(C)c1ccc(C(C)C)c(S[C@H]2C(=O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000013766558 JK Annotated Anodyne O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(O)=C1Sc1ccccc1C1CCCCC1 ZINC000013766577 JK Annotated Mild O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(O)=C1Sc1ccccc1C1CCCCC1 ZINC000013766579 JK Annotated Mild Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cnc2cc3c(cc2c1Cl)OCO3 ZINC000013775753 JK Annotated Anodyne COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C ZINC000013779294 JK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CCN(C)C)CCO5)cc3)c(C)c2)no1 ZINC000013779296 JK Annotated Anodyne FC(F)(F)c1cc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc(C(F)(F)F)c1 ZINC000013779310 JK Annotated Anodyne O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12 ZINC000013779348 JK Annotated Anodyne COc1ccc(CCNCCCC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780766 JK Annotated Anodyne COc1ccc(CCNCCCC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780767 JK Annotated Anodyne Cc1cccc(C)c1C(=O)N(C(=O)c1c(C)cccc1C)c1nc(-c2ccccn2)cc2ccccc12 ZINC000013781347 JK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CSc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000013781631 JK Annotated Anodyne CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1 ZINC000013781680 JK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1 ZINC000013781681 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000013781866 JK Annotated Anodyne in-vivo C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@H]1CC3 ZINC000013781867 JK Annotated Anodyne in-vivo C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@H]1CC3 ZINC000013781868 JK Annotated Anodyne in-vivo O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cccs3)n2)CC1 ZINC000013782354 JK Annotated Anodyne CCN(CC)C(=O)/C=C(\C)c1ccc(OC(c2ccccc2)c2ccccc2)c(OCC(=O)O)c1 ZINC000013782706 JK Annotated Anodyne C=CCc1cccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@H]4c4cccc(CC=C)c4)C(=O)N32)c1 ZINC000013782977 JK Annotated Mild C=CCc1cccc([C@@H]2[C@@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@H]4c4cccc(CC=C)c4)C(=O)N32)c1 ZINC000013782978 JK Annotated Mild C=CCc1cccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](c5cccc(CC=C)c5)[C@H](C)CC[C@@H]4C(=O)N32)c1 ZINC000013782979 JK Annotated Mild C=CCc1cccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](c5cccc(CC=C)c5)[C@@H](C)CC[C@@H]4C(=O)N32)c1 ZINC000013782980 JK Annotated Mild COc1ccc(OC[C@@H]2C[C@H]3[C@@H](c4ccc(Br)cc4)[C@H](C)CC[C@H]3C(=O)O2)cc1 ZINC000013782994 JK Annotated Anodyne COc1ccc(OC[C@H]2C[C@H]3[C@@H](c4ccc(Br)cc4)[C@H](C)CC[C@H]3C(=O)O2)cc1 ZINC000013782995 JK Annotated Anodyne COc1ccc(OC[C@@H]2C[C@@H]3[C@@H](c4ccc(Br)cc4)[C@H](C)CC[C@H]3C(=O)O2)cc1 ZINC000013782996 JK Annotated Anodyne COc1ccc(OC[C@H]2C[C@@H]3[C@@H](c4ccc(Br)cc4)[C@H](C)CC[C@H]3C(=O)O2)cc1 ZINC000013782997 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@H](C)[C@H](OC)C1CCCCC1 ZINC000013783010 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@H](C)[C@@H](OC)C1CCCCC1 ZINC000013783011 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)[C@@H](OC)C1CCCCC1 ZINC000013783012 JK Annotated Anodyne C[C@@]12C=C(/C=C/c3ccc(C(F)(F)F)cc3)[C@@](C)(C1)[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000013783081 JK Annotated Anodyne C[C@]12C=C(/C=C/c3ccc(C(F)(F)F)cc3)[C@](C)(C1)[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000013783082 JK Annotated Anodyne C[C@@]12C=C(/C=C/c3ccc(Br)cc3)[C@@](C)(C1)[C@@H](c1ccc(Br)cc1)CC2=O ZINC000013783096 JK Annotated Anodyne C[C@]12C=C(/C=C/c3ccc(Br)cc3)[C@](C)(C1)[C@@H](c1ccc(Br)cc1)CC2=O ZINC000013783097 JK Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000013783142 JK Annotated Anodyne CCOC(=O)OC[C@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000013783143 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@@]21C ZINC000013783605 JK Annotated Mild in-vitro CC(=O)O[C@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]12C ZINC000013783606 JK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@@]21C ZINC000013783607 JK Annotated Mild CC(=O)O[C@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]12C ZINC000013783608 JK Annotated Mild CCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1 ZINC000013794469 JK Annotated Anodyne CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(Br)cc2OC)n1 ZINC000013794503 JK Annotated Anodyne CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1ccc(Br)cc1Br ZINC000013795022 JK Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccccc3C(F)(F)F)ccc2O1 ZINC000013795425 JK Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1 ZINC000013795428 JK Annotated Anodyne CCCN(CCC)CCc1cc(Br)cc(Br)c1OCCc1ccccc1 ZINC000013795754 JK Annotated Anodyne COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NCc2cnc[nH]2)cc1-c1cccc2ccccc12 ZINC000013796758 JK Annotated Anodyne COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NCc2ncc[nH]2)cc1-c1cccc2ccccc12 ZINC000013796764 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1 ZINC000013797248 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cccs3)n2)CC1 ZINC000013797251 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1 ZINC000013797260 JK Annotated Anodyne CCc1cc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)cc1COc1cccnc1 ZINC000013800688 JK Annotated Anodyne Nc1nc(NC2Cc3ccccc3C2)cc(-c2ccc(NCCCc3ccccc3O)cc2)n1 ZINC000013800873 JK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccncc3)cc2C1 ZINC000013803055 JK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803064 JK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(-c3cccnc3)cc2C1 ZINC000013803066 JK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccn3)cc2C1 ZINC000013803069 JK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(C3CCCCC3)cc2C1 ZINC000013803071 JK Annotated Anodyne O=C(c1ccccc1OC(F)(F)F)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccncc3)cc2C1 ZINC000013803079 JK Annotated Anodyne COc1ccc2ccccc2c1C(=O)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803081 JK Annotated Anodyne O=C(N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1)N1CCCc2ccccc21 ZINC000013803088 JK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803090 JK Annotated Anodyne N#C/N=C(\Nc1ccc(Cl)cc1)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803094 JK Annotated Mild CCN1CCc2c(Br)ccc(O)c2[C@@H]1Cc1cc(OC)ccc1Br ZINC000013805176 JK Annotated Clean CCN1CCc2c(Br)ccc(O)c2[C@H]1Cc1cc(OC)ccc1Br ZINC000013805178 JK Annotated Clean CCCN1CCc2c(Br)ccc(O)c2[C@@H]1Cc1cc(OC)ccc1Br ZINC000013805180 JK Annotated Clean CCCN1CCc2c(Br)ccc(O)c2[C@H]1Cc1cc(OC)ccc1Br ZINC000013805183 JK Annotated Clean Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000013807207 JK Annotated Anodyne Cc1cc(N)c2ccccc2[n+]1CCCC/C=C/CCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000013807216 JK Annotated Anodyne Cc1cc(N)c2ccccc2[n+]1CCCC/C=C\CCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000013807219 JK Annotated Anodyne C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCCC1 ZINC000013808533 JK Annotated Bother C[N+]1(CCc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 ZINC000013808541 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CO3)cc1 ZINC000013808544 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCC3)cc1 ZINC000013808546 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCO3)cc1 ZINC000013808548 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 ZINC000013808550 JK Annotated Bother CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OCC2)cc1 ZINC000013808556 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)CCCO)cc2)CCO3)cc1 ZINC000013808558 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CC[N+]4(C)CCCCC4)cc2)CCO3)cc1 ZINC000013808560 JK Annotated Bother FC(F)(F)c1cc(Br)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1 ZINC000013808863 JK Annotated Anodyne C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(Cl)c(Cl)c1 ZINC000013812784 JK Annotated Bother C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)C(c1ccccc1)c1ccccc1 ZINC000013812788 JK Annotated Bother COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc(OC)c1 ZINC000013812797 JK Annotated Bother CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000013812808 JK Annotated Bother CN1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812897 JK Annotated Mild COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000013812905 JK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000013812908 JK Annotated Anodyne Clc1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000013812925 JK Annotated Anodyne Clc1ccc([C@@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812928 JK Annotated Anodyne Clc1ccc([C@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812931 JK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000013812937 JK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000013812940 JK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)c1 ZINC000013812958 JK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@H]3c2ccc(Cl)nc2)c1 ZINC000013812961 JK Annotated Anodyne Clc1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812970 JK Annotated Anodyne Clc1ccc([C@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000013813000 JK Annotated Anodyne CC1(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)C2(C)CCCCC2)CCCCC1 ZINC000013813292 JK Annotated Reactive CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1cccc2ccccc12 ZINC000013813391 JK Annotated Anodyne CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1cccc2ccccc12 ZINC000013813394 JK Annotated Anodyne CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccc2ccccc2c1 ZINC000013813409 JK Annotated Anodyne CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccc2ccccc2c1 ZINC000013813413 JK Annotated Anodyne Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000013813469 JK Annotated Anodyne aggregator COc1cc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc(OC)c1OC ZINC000013813480 JK Annotated Anodyne CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OCCC)cc1-2 ZINC000013814015 JK Annotated Anodyne COc1cc2oc(=O)cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)c2c(OC)c1OC ZINC000013814027 JK Annotated Anodyne [N-]=[N+]=Nc1cccc(-c2cc(Cn3cnc(I)c3)cc3cccnc23)c1 ZINC000013814078 JK Annotated Mild COc1cc2oc(=O)cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c2c(OC)c1OC ZINC000013814156 JK Annotated Anodyne COc1cc2oc(=O)cc(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)c2c(OC)c1OC ZINC000013814742 JK Annotated Anodyne Cc1ccc(/C=C/c2sccc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000013815838 JK Annotated Anodyne CC(C)(C)OC(=O)N(c1cccc2cccnc12)S(=O)(=O)c1ccccc1Br ZINC000013815896 JK Annotated Anodyne COc1ccc(N2C=C3C(=O)[C@@](C)(OC(=O)C4CCCC4)C(=O)C=C3C=C2c2ccsc2)cc1 ZINC000013817015 JK Annotated Mild COc1ccc(N2C=C3C(=O)[C@](C)(OC(=O)C4CCCC4)C(=O)C=C3C=C2c2ccsc2)cc1 ZINC000013817018 JK Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCc1ccc(Br)cc1 ZINC000013817143 JK Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCc1ccc(Br)cc1 ZINC000013817147 JK Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(C3CCCCC3)C=C2C1=O ZINC000013817283 JK Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(C3CCCCC3)C=C2C1=O ZINC000013817285 JK Annotated Mild COc1ccc(CN2C=C3C(=O)[C@@](C)(OC(=O)C4CCCC4)C(=O)C=C3C=C2c2ccsc2)cc1 ZINC000013817288 JK Annotated Mild COc1ccc(CN2C=C3C(=O)[C@](C)(OC(=O)C4CCCC4)C(=O)C=C3C=C2c2ccsc2)cc1 ZINC000013817291 JK Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(Cc3ccccc3)C=C2C1=O ZINC000013817336 JK Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(Cc3ccccc3)C=C2C1=O ZINC000013817340 JK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)c2cccnc2)CC3)c(C)c1 ZINC000013817533 JK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)c2ccco2)CC3)c(C)c1 ZINC000013817568 JK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)C2CCCCC2)CC3)c(C)c1 ZINC000013817598 JK Annotated Anodyne C=CCNC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3 ZINC000013817622 JK Annotated Mild C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(C(=O)NCCc1c[nH]c2ccccc12)CC3 ZINC000013817630 JK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)C2CC2)CC3)c(C)c1 ZINC000013817648 JK Annotated Anodyne COc1cc2cc(C(=O)C[C@H](OC)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000013818012 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H](OC)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000013818015 JK Annotated Bother COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000013818047 JK Annotated Bother COc1cc2cc(C(=O)CCC3CC[N+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000013818057 JK Annotated Mild COc1cc2cc(C(=O)CCC3CC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000013818060 JK Annotated Bother CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OCc2ccccc2)c1C ZINC000013820782 JK Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OCc2ccccc2)c1C ZINC000013820784 JK Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)Oc2ccccc2)c1C ZINC000013820786 JK Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)Oc2ccccc2)c1C ZINC000013820788 JK Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2CSc2ccccc2)c1C ZINC000013820830 JK Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2CSc2ccccc2)c1C ZINC000013820832 JK Annotated Anodyne CN(CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1)Cc1ccccc1 ZINC000013821733 JK Annotated Mild CCN(CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1)C(C)C ZINC000013821759 JK Annotated Mild CC(C)N(CC#CCCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1)C(C)C ZINC000013821761 JK Annotated Mild CCN(CC)CC#CCCCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1 ZINC000013821763 JK Annotated Mild CCN(C)CC#CCCC1(C2(O)c3ccccc3Sc3ccccc32)SCCCS1 ZINC000013821765 JK Annotated Mild OC1(C2(CCC#CCN3CCCCC3)SCCCS2)c2ccccc2Sc2ccccc21 ZINC000013821767 JK Annotated Mild CN(C)CC#CCCC1([C@@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1 ZINC000013821770 JK Annotated Mild CN(C)CC#CCCC1([C@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1 ZINC000013821772 JK Annotated Mild CCN(C)CC#CCCC1([C@@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1 ZINC000013821774 JK Annotated Mild CCN(C)CC#CCCC1([C@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1 ZINC000013821776 JK Annotated Mild COc1ccc(CCN(C)CC#CCC[C@](O)(c2ccccc2)C2SCCCS2)cc1OC ZINC000013821809 JK Annotated Mild COc1ccc(CCN(C)CC#CCC[C@@](O)(c2ccccc2)C2SCCCS2)cc1OC ZINC000013821811 JK Annotated Mild C=CCOc1ccc(-c2cc3n(Cc4ccccc4)c4c(c(=O)n3n2)CN(C2CCCCC2)C4=O)cc1 ZINC000013821978 JK Annotated Mild O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2CSc2ccccc2)CN1C1CCCCC1 ZINC000013821981 JK Annotated Anodyne O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2C/C=C/c2ccccc2)CN1C1CCCCC1 ZINC000013821985 JK Annotated Anodyne O=C(CCCn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O)c1ccccc1 ZINC000013821987 JK Annotated Anodyne CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3cc(Cl)c(Cl)cc3nc21 ZINC000013822021 JK Annotated Clean CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCCOC(C)=O)c2nc3ccccc3nc21 ZINC000013822025 JK Annotated Clean CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCCC(=O)O)c2nc3ccccc3nc21 ZINC000013822031 JK Annotated Clean CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCCN(C)C)c2nc3ccccc3nc21 ZINC000013822033 JK Annotated Clean Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc21 ZINC000013826827 JK Annotated Anodyne CC(=O)n1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc21 ZINC000013826829 JK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)nn3ccccc23)cc1 ZINC000013827197 JK Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2 ZINC000013827360 JK Annotated Anodyne CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827559 JK Annotated Anodyne CCCCCNC(=O)Nc1c(CCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827562 JK Annotated Anodyne CCCCCNC(=O)Nc1c(SCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827565 JK Annotated Anodyne CCCCCNC(=O)Nc1c(NCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827568 JK Annotated Anodyne CCCCCNC(=O)Nc1c(OCCCn2cc(-c3ccc(OC)cc3)nc2C)cccc1N(C)C ZINC000013827603 JK Annotated Anodyne CCCCCNC(=O)Nc1c(OCCCn2cnc(C)c2-c2ccccc2)cccc1N(C)C ZINC000013827606 JK Annotated Anodyne CCCCCNC(=O)Nc1c(N(C)C)ccc(C)c1OCCCn1cnc(-c2ccccc2)c1 ZINC000013827609 JK Annotated Anodyne CCCCCNC(=O)Nc1cccc(OCCCn2cnc(-c3ccccc3)c2C)c1N(C)C ZINC000013827621 JK Annotated Anodyne CCCCCNC(=O)Nc1c(CN(C)C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827633 JK Annotated Anodyne CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1[N+](=O)[O-] ZINC000013827636 JK Annotated Bother CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1S(C)(=O)=O ZINC000013827653 JK Annotated Anodyne CCCCCNC(=O)Nc1c(CO)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827656 JK Annotated Anodyne CCCCCNC(=O)Nc1c(Cl)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827659 JK Annotated Anodyne CCCCCNC(=O)Nc1c(CCC)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827674 JK Annotated Anodyne CC1(C)CCC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000013827702 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1S(=O)(=O)CCCn1cnc(-c2ccccc2)c1C ZINC000013827709 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1CSCCn1cnc(-c2ccccc2)c1C ZINC000013827715 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1C[S@@](=O)CCn1cnc(-c2ccccc2)c1C ZINC000013827718 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1C[S@](=O)CCn1cnc(-c2ccccc2)c1C ZINC000013827721 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1CS(=O)(=O)CCn1cnc(-c2ccccc2)c1C ZINC000013827724 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2[N+](=O)[O-])c1 ZINC000013827744 JK Annotated Bother CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2S(C)(=O)=O)c1 ZINC000013827751 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000013827754 JK Annotated Bother CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000013827760 JK Annotated Bother CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc(Cl)cc2)c1 ZINC000013827766 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CCC ZINC000013827779 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CO ZINC000013827785 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CN(C)C ZINC000013827788 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1COC ZINC000013827791 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CSC ZINC000013827794 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C(=O)OCC ZINC000013827800 JK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1Cl ZINC000013827809 JK Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2C(C)C)c1NC(=O)NCCC(C)C ZINC000013827831 JK Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2Cl)c1NC(=O)NCCC(C)C ZINC000013827837 JK Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2Cl)c1NC(=O)NCC(C)(C)C ZINC000013827846 JK Annotated Anodyne CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000013828649 JK Annotated Anodyne CCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000013828651 JK Annotated Anodyne COCO[C@H]([C@@H](C)C=C(Br)Br)[C@@H](C)COCc1ccc(OC)cc1 ZINC000013828846 JK Annotated Anodyne C/C=C1\CO[C@@](C(=O)NCc2cccc(OC)c2OC)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828952 JK Annotated Anodyne C/C=C1\CO[C@](C(=O)NCc2cccc(OC)c2OC)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828954 JK Annotated Anodyne CN(C)c1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829684 JK Annotated Anodyne CN(C)c1ccc(-c2c([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829686 JK Annotated Anodyne CN(C)c1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829688 JK Annotated Anodyne CN(C)c1ccc(-c2c([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829690 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013829735 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013829737 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013829739 JK Annotated Anodyne CCCN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013829753 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829765 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829767 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829769 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829771 JK Annotated Anodyne C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1/C=C/c1ccccc1)N(Cc1ccccc1)C2=O ZINC000013829916 JK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1/C=C/c1ccccc1)N(Cc1ccccc1)C2=O ZINC000013829918 JK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829924 JK Annotated Anodyne COc1ccc(-c2c([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829926 JK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013829928 JK Annotated Anodyne C=C1CCN([C@H](CC(C)C)C(=O)NCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc21 ZINC000013829931 JK Annotated Mild CC(C)CN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013829944 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3/C=C/c3ccccc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013829961 JK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3/C=C/c3ccccc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013829963 JK Annotated Anodyne CC(C)CN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830033 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830298 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830300 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830302 JK Annotated Anodyne CC(C)C[C@H](CSc1ccc(Br)cc1)N1CCN(CCc2ccccc2)CCC1=O ZINC000013830314 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3-c3ccc(N(C)C)cc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830328 JK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3-c3ccc(N(C)C)cc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830330 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc4ccccc4c3-c3ccc(N(C)C)cc3)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830332 JK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc4ccccc4c3-c3ccc(N(C)C)cc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830334 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830401 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830403 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830405 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830413 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830415 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830417 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830419 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830421 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830423 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000013830454 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000013830456 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000013830458 JK Annotated Anodyne C=C[C@H](COCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Br ZINC000013830466 JK Annotated Mild C=C[C@@H](COCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Br ZINC000013830468 JK Annotated Mild COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830500 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830502 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830504 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830540 JK Annotated Anodyne Cc1ccc(-c2c([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830542 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830544 JK Annotated Anodyne Cc1ccc(-c2c([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830546 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830581 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830583 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830585 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830587 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(-c4ccc(N(C)C)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830611 JK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc(-c4ccc(N(C)C)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830613 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4ccc(N(C)C)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830615 JK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4ccc(N(C)C)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830617 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(-c4cc5ccccc5s4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830619 JK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc(-c4cc5ccccc5s4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830621 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4cc5ccccc5s4)cc3F)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830623 JK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4cc5ccccc5s4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830625 JK Annotated Anodyne CN(C)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830677 JK Annotated Anodyne CN(C)c1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830679 JK Annotated Anodyne CN(C)c1ccc(-c2ccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830681 JK Annotated Anodyne CN(C)c1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830683 JK Annotated Anodyne CN(C)c1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830685 JK Annotated Anodyne CN(C)c1ccc(-c2cc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830687 JK Annotated Anodyne O=C1[C@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000013830727 JK Annotated Anodyne O=C1[C@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000013830729 JK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000013830731 JK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000013830733 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830739 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830741 JK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830743 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830759 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830761 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830763 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830773 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830775 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830777 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830779 JK Annotated Anodyne COc1cc(OC)c2c(C)cc(=O)oc2c1[C@@H](CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000013830784 JK Annotated Anodyne COc1cc(OC)c2c(C)cc(=O)oc2c1[C@H](CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000013830786 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830804 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830806 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830808 JK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc12 ZINC000013830818 JK Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc12 ZINC000013830820 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830836 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830838 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830840 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000013830842 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830847 JK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830849 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830851 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(F)c(-c4ccc(N(C)C)cc4)c3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830865 JK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc(F)c(-c4ccc(N(C)C)cc4)c3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830867 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(F)c(-c4ccc(N(C)C)cc4)c3)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830869 JK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(F)c(-c4ccc(N(C)C)cc4)c3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830871 JK Annotated Anodyne O=[P@@]1(Oc2ccccc2)CC=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830889 JK Annotated Anodyne O=[P@]1(Oc2ccccc2)CC=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830891 JK Annotated Anodyne O=[P@@]1(Oc2ccccc2)CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830893 JK Annotated Anodyne O=[P@]1(Oc2ccccc2)CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830895 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013831005 JK Annotated Anodyne Cc1ccc2[nH]c(SSc3[nH]c4ccc(C)cc4c3CCC(=O)O)c(CCC(=O)O)c2c1 ZINC000013832599 JK Annotated Reactive COC(=O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)OC)[nH]c2ccccc12 ZINC000013832604 JK Annotated Reactive COc1cc(CCc2ccc(C3=Cc4ccccc4C4=N[C@@H](C)CN34)cc2)cc(OC)c1OC ZINC000013833375 JK Annotated Anodyne COc1cc(CCc2ccc(C3=Cc4ccccc4C4=N[C@H](C)CN34)cc2)cc(OC)c1OC ZINC000013833376 JK Annotated Anodyne COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NC(C)(C)CN34)cc2)cc(OC)c1OC ZINC000013833377 JK Annotated Anodyne COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCCCN34)cc2)cc(OC)c1OC ZINC000013833378 JK Annotated Anodyne COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCC(C)(C)CN34)cc2)cc(OC)c1OC ZINC000013833379 JK Annotated Anodyne COc1cc(CCc2ccc(-c3cc4ccccc4c4nc(C)cn34)cc2)cc(OC)c1OC ZINC000013833381 JK Annotated Anodyne COc1cc(CCc2ccc(-c3cc4ccccc4c4nnc(C)n34)cc2)cc(OC)c1OC ZINC000013833382 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013834900 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000013834901 JK Annotated Mild CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OCC(=O)O ZINC000013835876 JK Annotated Anodyne COc1c(C=O)c(C)c(Cl)c(OCC(=O)O)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835883 JK Annotated Anodyne COc1c(C=O)c(C)c(Cl)c(OC(C)=O)c1C/C=C(\C)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835908 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000013859719 JK Annotated Mild O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F ZINC000013860001 JK Annotated Anodyne COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccccc1 ZINC000013860472 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000013861022 JK Annotated Anodyne COc1ccc(CCN(C)[C@@H]2CCC[C@@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861384 JK Annotated Mild COc1ccc(CCN(C)[C@H]2CCC[C@@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861385 JK Annotated Mild COc1ccc(CCN(C)[C@H]2CCC[C@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861386 JK Annotated Mild COc1ccc(CCN(C)[C@@H]2CCC[C@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861387 JK Annotated Anodyne COc1ccc(CCN[C@@H]2CCC[C@@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861388 JK Annotated Mild COc1ccc(CCN[C@H]2CCC[C@@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861389 JK Annotated Mild COc1ccc(CCN[C@H]2CCC[C@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861390 JK Annotated Mild COc1ccc(CCN[C@@H]2CCC[C@H]([C@@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000013861391 JK Annotated Mild C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000013862625 JK Annotated Mild CCC[N+]1(CC2=CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000013862636 JK Annotated Bother O=c1ncn2nc(Sc3ccccc3Br)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864347 JK Annotated Anodyne O=c1ncn2nc(Sc3ccc(F)cc3Cl)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864350 JK Annotated Anodyne CCc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000013864357 JK Annotated Clean Cc1nn(-c2ccccc2Cl)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864595 JK Annotated Clean Cc1nn(-c2cccc(Cl)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864596 JK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864597 JK Annotated Clean Cc1nn(-c2ccc(Cl)c(Cl)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864607 JK Annotated Clean Cc1nn(-c2ccc(C(C)C)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864608 JK Annotated Clean Cc1nn(-c2cccc(C(C)(C)C)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864609 JK Annotated Clean Cc1nn(-c2ccc(C(C)(C)C)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864610 JK Annotated Clean Cc1ccc(-n2nc(C(C)(C)C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1C ZINC000013864616 JK Annotated Clean O=C(Cn1c(C(F)(F)F)nc2ccccc21)/N=N\c1c(O)[nH]c2ccc(Br)cc12 ZINC000013865614 JK Annotated Clean O=C(CCCCCNC(=O)c1ccccc1Br)/N=N/c1c(O)[nH]c2ccccc12 ZINC000013865769 JK Annotated Clean O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000013878621 JK Annotated Clean O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1/N=N\c1c(O)[nH]c2ccccc12 ZINC000013878680 JK Annotated Clean NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000013878858 JK Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000013878859 JK Annotated Bother CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000013885569 JK Annotated Anodyne CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCN=[N+]=[N-])C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000013887074 JK Annotated Mild CO[C@@H](C/C=C\C=C\CC/C=C/C[C@@H](C)/C=C/C(=C/C(=O)O)CC(=O)O)/C(C)=C\C=C(/C)C(=O)O ZINC000013888966 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1CCC[C@@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000013896627 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1CCC[C@@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000013896630 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1CCC[C@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000013896633 JK Annotated Anodyne CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H]1CCCc2ccccc21 ZINC000013906478 JK Annotated Anodyne Fc1ccc(C2=C[C@@H]3CC[C@H](C2)N3CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000013906936 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)O)c2)c1 ZINC000013907053 JK Annotated Anodyne COc1c(O)c(Cl)c2c(c1OC)-c1c(c(Cl)c(O)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2 ZINC000013907407 JK Annotated Anodyne C[C@H](N)C(=O)N1CCCC[C@@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000013907516 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCCCC(=O)O)C3=O)C[C@H]1O ZINC000013909848 JK Annotated Anodyne CO[C@H]1O[C@@H](OC)c2c1cc(O)c1c2O[C@@]2(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]2C1 ZINC000013912389 JK Annotated Anodyne CO[C@H]1O[C@@H](OC)c2cc(O)c3c(c21)O[C@@]1(C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1C3 ZINC000013912390 JK Annotated Anodyne CO[C@H]1O[C@H](OC)c2c1cc(O)c1c2O[C@@]2(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]2C1 ZINC000013912391 JK Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@H](c2ccccc2Cl)c2ccccc21 ZINC000013913496 JK Annotated Bother COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)ccc1OC1CCCC1 ZINC000013914449 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000013916078 JK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000013916079 JK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000013916080 JK Annotated Clean C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)/C(C)=C/CC1 ZINC000013917275 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c(Cl)c1Cl ZINC000013919464 JK Annotated Anodyne C[C@@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 ZINC000013919596 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@]45CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@]4(CC[C@H]32)O5)C1(C)C ZINC000013973582 JK Annotated Anodyne in-vivo CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@]45CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@]4(CC[C@H]32)O5)C1(C)C ZINC000013973584 JK Annotated Anodyne in-vivo Cc1nc2cc([C@@H](CC(=O)O)Cc3csc(CCCc4ccc5c(n4)NCCC5)n3)ccc2s1 ZINC000013976928 JK Annotated Anodyne COc1ccc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cc1F ZINC000013976931 JK Annotated Anodyne O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(C2CC2)s1 ZINC000013976935 JK Annotated Anodyne CCC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000013977595 JK Annotated Anodyne CCC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000013977597 JK Annotated Anodyne CCC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000013977599 JK Annotated Anodyne COC(=O)C[C@H]1c2ccccc2N/C(=N\CCCCCN)N1c1ccc(-c2ccccc2)cc1 ZINC000013978184 JK Annotated Mild Cc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(OCCF)cc2)c2cccc(C#N)c2)nc1 ZINC000013979092 JK Annotated Mild CCN(CC)c1ccc(NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000013979170 JK Annotated Anodyne CCN(CC)c1ccc(NC(=O)[C@@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000013979177 JK Annotated Anodyne CCN(CC)c1ccc(NC(=O)[C@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000013979179 JK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)O)cc1)C1=C(Cl)CCC1 ZINC000013979339 JK Annotated Anodyne CCCC(CCC)n1cc2c3c(nc(C)nc31)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000013981074 JK Annotated Anodyne C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCCC1 ZINC000013982256 JK Annotated Anodyne N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)c2ccno2)CC1 ZINC000013982398 JK Annotated Mild CN(C)Cc1c(Cc2cccc3ccccc23)c(-c2ccccc2)c2n(c1=O)[C@H](C(=O)O)CS2 ZINC000013985896 JK Annotated Anodyne CCOc1ccc(N(C(=O)NCc2ccccc2Cl)c2ccnc(N[C@@H](C)COC)n2)cc1 ZINC000013986010 JK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@]12C ZINC000135614393 JK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1OC(C)=O ZINC000135620064 JK Annotated Anodyne C[C@H]([C@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000135630508 JK Annotated Mild CC(C)[C@@H]1CN([C@@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)N(C)C)[C@@H]4CC[C@H]3C2=O)C1=O ZINC000135653847 JK Annotated Anodyne CC(C)[C@@H](C)[C@H](C)C[C@@](C)(O)C1=CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000135687566 JK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)C[C@H](O)[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C)[C@H](C)C(C)C ZINC000135687729 JK Annotated Anodyne COC(=O)CC1=C[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1=O ZINC000135744152 JK Annotated Mild CCCCCCCCCCCCCC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)NC(C)=O ZINC000135748284 JK Annotated Mild CC(C)=CCC/C(C)=C\C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)CC1=O)C2=O ZINC000135756031 JK Annotated Anodyne C=C(C)[C@H](C/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O)CC/C(=C/CCc1ccoc1)C(=O)OC ZINC000135784710 JK Annotated Mild O=C(Nc1cc(/C(=N/c2ccccc2)NO)cc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl ZINC000135804814 JK Annotated Mild in-vitro C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=C[C@H]12 ZINC000135821013 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)C(=O)CC=C(C)C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000135842815 JK Annotated Mild CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(CCCCC)c1O2 ZINC000135890242 JK Annotated Anodyne O[C@@H]1/C=C\C=C/C=C\CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@@H](CN(C4)C1)[C@H]2CC3 ZINC000135908331 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@]4(C)C=Cc5c(cc(O)c(O)c5C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000135919461 JK Annotated Clean CC1(C)O[C@@H]1CC[C@@]1(C)C=C(/C=C/C=C/C2=C[C@](C)(CC[C@H]3OC3(C)C)[C@@H](O)CC2)CC[C@@H]1O ZINC000135934797 JK Annotated Anodyne C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000135934918 JK Annotated Mild O=C1C=CC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)=C/C1=C1/Nc2ccccc2O1 ZINC000135937423 JK Annotated Mild CC1=C(CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)OCc3ccccc3)OO2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 ZINC000135957797 JK Annotated Reactive Cc1nn2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1 ZINC000136025077 JK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000136027348 JK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2CC(C)(C)CN=C12 ZINC000136027415 JK Annotated Anodyne CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(-c3ccccc3)cc2)c1Nc1ccccc1 ZINC000136027571 JK Annotated Anodyne CC(C)=CCC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](N(C)C)CC[C@@]32C)[C@@H]2CC[C@@H]3[C@H](C)NC[C@@]321 ZINC000136027926 JK Annotated Anodyne CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000136028540 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1C[C@]1(C=O)C[C@]3(C)CC[C@H]4[C@@](C)(CO)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000136028605 JK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 ZINC000136034972 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C(=CC[C@@H]12)C[C@]1(C)CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]1C[C@H]3O ZINC000136127957 JK Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=C(Br)C(=O)/C1=C/C=C/CCCC(=O)OC ZINC000136128490 JK Annotated Mild COC1=CC(C)=C2O[C@@]3(C[C@]2(OO)C1=O)[C@@H](C)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000136136743 JK Annotated Reactive CC(=O)N1C[C@H]2C[C@@H]3[C@@H]4CC5=N[C@H](C[C@@H]6C[C@@H](C)C[C@H]7CCCCN67)CC[C@@]52[C@@]31C[C@H](C)C4 ZINC000136160106 JK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC[C@H]3[C@H](C)[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)[C@H](C)C(C)C ZINC000136172737 JK Annotated Anodyne COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000136174275 JK Annotated Anodyne C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000136184067 JK Annotated Reactive C=C[C@@](C)(/C=C/[C@H](C)CC[C@H](C)C(=C)CC[C@H](C)C(=C)C)CC[C@H](C)C(=C)CC[C@H](C)C(=C)C ZINC000136184566 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000136188570 JK Annotated Reactive C=C(C)[C@H](Cc1cc(OC)cc(C)c1O)C(=O)[C@H]1[C@]2(C)CCC[C@]2(C)[C@@]12C[C@H](O)C(C)(C)O2 ZINC000136189477 JK Annotated Mild C/C=C(\C)[C@@H](O)[C@@]1(C)[C@@H]2C(C)=CC(C)=C[C@]2(C)[C@@H]1/C(C)=C/[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C ZINC000136191898 JK Annotated Anodyne CC(/C=C/C=C(\C)c1ccc(C)c(=O)o1)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000136194071 JK Annotated Mild C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)/C=C4/C=C(C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000136200748 JK Annotated Mild C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)/C=C4/C=C(C)C(=O)O4)[C@]3(C)CC[C@@H]2[C@@]1(C)CCC(=O)O ZINC000136200780 JK Annotated Mild C[C@H](N)[C@H](O)C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@@H](O)[C@H](C)N ZINC000136202974 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccc(O)cc3)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O ZINC000136208726 JK Annotated Anodyne CC(C)[C@@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO ZINC000136222921 JK Annotated Anodyne CCOC(=O)[C@]1(O)C[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1=O ZINC000136224209 JK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC[C@H]3[C@H](C)[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)[C@@](C)(O)C(C)C ZINC000136228248 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CCc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000136245133 JK Annotated Clean CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]4[C@H](CO[C@]4(C)O)[C@@]3(C)C(=O)C[C@H]21 ZINC000136246285 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](OC(=O)CCC(C)=O)[C@H]1C(=O)OC ZINC000136359544 JK Annotated Mild C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2 ZINC000136404597 JK Annotated Reactive O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)N1c2ccccc2CCc2ccccc21 ZINC000136406925 JK Annotated Anodyne O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000136407899 JK Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C(=O)C=C(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000136474109 JK Annotated Mild C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)N[C@H]3[C@H](C(C)C)CC[C@@]4(C)CCCC(=C)[C@H]34)[C@@H]12 ZINC000136478512 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H]3OC(CC[C@@H](C)CCl)=C(C)[C@@H]32)C1 ZINC000136479499 JK Annotated Unstable CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@H](N=[N+]=[N-])C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000136488699 JK Annotated Clean CC(C)(N=C=S)[C@H]1CC[C@@](C)([C@@H]2CC[C@@](C)(N=C=S)[C@@H]3CC[C@](C)(O)[C@@H](N=C=S)[C@@H]23)O1 ZINC000136530233 JK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C(=O)C([C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC=O)=C[C@@H]3O[C@@]32C1 ZINC000136534317 JK Annotated Mild CC1=C(CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C)(C)[C@@H]2CC[C@@](C)(O)[C@@H]2C[C@@H]1O ZINC000136540297 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](C(C)C)CC1=C2C[C@@H]2[C@H](O)[C@@H](C(C)C)c3cc(C)cc4c3[C@]12[C@H](O)O4 ZINC000136558737 JK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000136576667 JK Annotated Anodyne C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@H](C(=C)C)[C@@H]4O)OC3)CO2)[C@H]1O ZINC000136597449 JK Annotated Mild CCCc1cc2c(n1Cc1ccc(C)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000136612106 JK Annotated Anodyne COC(=O)C1=C2SCc3ccc(cc3)CSC3=C(C(=O)OC)S/C(=C(/S2)S1)S3 ZINC000136654550 JK Annotated Anodyne C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@H]3C ZINC000136659182 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000136704129 JK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)CC/C=C(\C)CC/C=C1/C[C@@H](C=C(C)C)OC1=O)C1=CC(=O)OC1 ZINC000136707002 JK Annotated Anodyne Cc1ccc(C(=O)N[C@@H](CN2C[C@H]3CC[C@H]2C[C@@H]3Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000136728157 JK Annotated Anodyne Cc1ccc(C(=O)N[C@H](CN2C[C@H]3CC[C@H]2C[C@@H]3Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000136728210 JK Annotated Anodyne CC1=C2C[C@@]3(C)C(=C[C@@]2([C@@]24C=C5CCC[C@H](C)[C@@]5(C)CC2=C(C)C(=O)O4)OC1=O)CCC[C@@H]3C ZINC000136749863 JK Annotated Anodyne CC1=C2C[C@@]3(C)C(=C[C@]2([C@@]24C=C5CCC[C@H](C)[C@@]5(C)CC2=C(C)C(=O)O4)OC1=O)CCC[C@@H]3C ZINC000136749907 JK Annotated Anodyne CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000136767583 JK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC(=O)[C@@]4(C(=O)O)CC[C@](C)(C=O)C[C@@]4(O)C3=CC[C@H]21 ZINC000136781547 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C=O)(C[C@H]5C(C)(C)[C@H](O)CC[C@@]54C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000136783727 JK Annotated Mild CC1(C)[C@@H](O)CC[C@H]2[C@]13O[C@H]3C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000136835928 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 ZINC000136841548 JK Annotated Anodyne CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3[nH]c-2c\c1=N/c1ccc(Cl)cc1 ZINC000136850514 JK Annotated Anodyne O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000136877344 JK Annotated Anodyne O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000136877391 JK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000136887052 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136972970 JK Annotated Anodyne C=C([C@H]1[C@H](Br)[C@@H]2[C@@H](CC[C@]2(C)O)C1(C)C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 ZINC000136977587 JK Annotated Reactive C[C@H]1CC[C@@H]2OC(C)(C)[C@H](O)CC[C@@]2(C)[C@]12CC[C@@H]([C@@]1(C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)O2 ZINC000136996365 JK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000136996411 JK Annotated Reactive C[C@H]1CN2CCC[C@@H]3CCCCC[C@H]4C(=O)[C@@H](C)CN5CCC[C@H](CCCCC[C@@H](C1=O)[C@@H]32)[C@H]45 ZINC000137020030 JK Annotated Anodyne CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(C(C)(C)O)c1 ZINC000137022819 JK Annotated Anodyne C=C1CC=C[C@]2(C)C[C@]3([C@]45C[C@@]6(C)C=CCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@@H]12 ZINC000137037853 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)CCC(C)(C)O ZINC000137063221 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000137068115 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)CC(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000137068295 JK Annotated Mild CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)CC1 ZINC000137070002 JK Annotated Anodyne C#C/C=C\CCCCCCCCCC/C=C\CCCCCCCCC[C@@H](O)C#CC#CCO ZINC000137073856 JK Annotated Mild O=C(N[C@@H]1CCCc2ccccc21)[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1cccnc1 ZINC000137090499 JK Annotated Anodyne O=C(N[C@@H]1CCCc2ccccc21)[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1cccnc1 ZINC000137090545 JK Annotated Anodyne O=C(N[C@@H]1CCCc2ccccc21)[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1cccnc1 ZINC000137090591 JK Annotated Anodyne O=C(N[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)c1cccnc1)[C@H](c1ccccc1)C1CCCC1 ZINC000137090630 JK Annotated Anodyne CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(c3ccc(Cl)cc3)CSC2=O)c1 ZINC000137095800 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CCC(C)(C)C[C@H]2[C@]1(C)CC3 ZINC000137101563 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@@H](O)C=C(C)C)c1O ZINC000137109716 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000137109757 JK Annotated Anodyne CCCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000137118215 JK Annotated Mild C1=C\CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@H]4C[C@H](CN(CC\C=C/1)C4)[C@H]2CC3 ZINC000137133372 JK Annotated Anodyne COc1cc(O)c(Cc2ccc(O)cc2)c(/C=C/c2ccccc2O)c1Cc1ccc(O)cc1 ZINC000137166103 JK Annotated Anodyne O=C(O)[C@@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(CCc2c(Cl)cccc2Cl)=N1 ZINC000137173723 JK Annotated Anodyne O=C(O)[C@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(CCc2c(Cl)cccc2Cl)=N1 ZINC000137173773 JK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc(O)ccc3[C@@H]3[C@@H](c4cc(O)cc(O)c4)c4c(O)cc(O)cc4[C@@H]23)cc1 ZINC000137194701 JK Annotated Anodyne C[C@H]1CN2CCC[C@H]3CCCCC[C@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCC[C@H](C1=O)[C@@H]32)[C@@H]45 ZINC000137200716 JK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccccc1 ZINC000137210838 JK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1 ZINC000137215527 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000137217273 JK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccccc1F ZINC000137238595 JK Annotated Anodyne CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3ccc(Br)cc3[C@H](O)[C@@H]12 ZINC000137419282 JK Annotated Reactive CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3ccc(Br)cc3[C@@H](O)[C@@H]12 ZINC000137419323 JK Annotated Reactive C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000137433360 JK Annotated Anodyne CC(=O)/C=C\C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000137449420 JK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000137461883 JK Annotated Reactive O[C@@H]1/C=C\C=C/CCN2C[C@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@H]3[C@@](C1)(C5)[C@@H]42 ZINC000137485250 JK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000137516228 JK Annotated Mild CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H]1CC(C)=C(C)C(=O)O1 ZINC000137563106 JK Annotated Mild CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H]1CC[C@H](C)C(=O)O1 ZINC000137563574 JK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4[C@H](C)[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)[C@H](C)C(C)C ZINC000137579899 JK Annotated Anodyne C[C@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)[C@@H](Br)CCl)CBr ZINC000137586902 JK Annotated Reactive C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C\C=C/1 ZINC000137590683 JK Annotated Anodyne COC1=CC(=O)C2=C(CCc3ccc(cc3)Oc3cc(ccc3O)CCc3cccc(c3)O2)C1=O ZINC000137604528 JK Annotated Mild C/C(=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C)c1ccc(C)c(=O)o1 ZINC000137611891 JK Annotated Mild C=C1CC[C@H](C)C(C)(C)[C@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000137639041 JK Annotated Reactive C=C1CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000137639159 JK Annotated Reactive C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@@H]6C(=CCC(=O)OC6(C)C)CC5=CC[C@]34C)O2)OC1=O ZINC000137644931 JK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]13[C@@H]2CC[C@]1(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@]13OC ZINC000137650421 JK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137682801 JK Annotated Reactive CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137682862 JK Annotated Reactive CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137682940 JK Annotated Reactive c1cc2c[n+](c1)CCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCC2 ZINC000137704576 JK Annotated Anodyne Cc1ccc([P+](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000137733411 JK Annotated Reactive CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000137752707 JK Annotated Reactive CCOC(=O)N/N=C1\C=C2C=C[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000137752882 JK Annotated Reactive COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000137849441 JK Annotated Anodyne CC(=O)/C=C\C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]12C ZINC000137850138 JK Annotated Mild CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000137862243 JK Annotated Mild CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000137874851 JK Annotated Mild Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C(C)C)C=C[C@]3(C)CC2)cc1 ZINC000137895156 JK Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C(=O)C=CC[C@]12O ZINC000137923286 JK Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C(=O)C=CC[C@]12O ZINC000137923392 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C(\C)[C@H](C)C(C)C)[C@@H]1C ZINC000137928913 JK Annotated Anodyne CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000137944426 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(OC)c([N+](=O)[O-])c2)c(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000137944831 JK Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]42C)OC(=O)CC[C@@]13C ZINC000138069132 JK Annotated Mild CCCCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C ZINC000138083981 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@]45C(=O)O[C@H](C[C@]4(C)[C@H]3CC[C@@]21C)[C@@]1(C)CCC(C)(C)C[C@H]15 ZINC000138100963 JK Annotated Anodyne C=C1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5C=C[C@]43C)[C@H]2[C@H]1C ZINC000138102957 JK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H](O)[C@]1(C)O[C@H]1CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000138107444 JK Annotated Reactive C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12CO ZINC000138107508 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C[C@H](O)[C@]4(CO)[C@H]3CC[C@@]21C ZINC000138107618 JK Annotated Anodyne CC(C)=CCC[C@]1(C)O[C@@H](/C(C)=C/CC[C@@]2(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)C[C@H]1O ZINC000138112743 JK Annotated Reactive O=C(O)[C@@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(CC2c3ccccc3-c3ccccc32)=N1 ZINC000138116110 JK Annotated Anodyne O=C(O)[C@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(CC2c3ccccc3-c3ccccc32)=N1 ZINC000138116211 JK Annotated Anodyne C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000138122900 JK Annotated Mild Oc1ccc([C@@H]2Oc3cc(O)ccc3[C@H]3[C@H]2c2cc(O)cc(O)c2[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000138124795 JK Annotated Anodyne C=C1[C@H]([C@@H](C)[C@H]2CC=C(C)C(=O)O2)CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@@]3(O)C[C@@H]12)C=CC(=O)OC4(C)C ZINC000138157426 JK Annotated Mild CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000138171876 JK Annotated Reactive C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[C@@]3(C)CCC[C@]4(C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@@H]34)[C@@H]2[C@H]1O ZINC000138172098 JK Annotated Reactive C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1CC[C@@H]2C(=CC[C@@H]3O[C@@H](C(C)(C)O)CC[C@]32C)C1(C)C ZINC000138188694 JK Annotated Mild N=c1ccn(Cc2ccc(/C=C\c3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000138225405 JK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCCCC(F)(F)F)[C@]13C(=O)O ZINC000138239474 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCc2ccccc2Cl)[C@]13C(=O)O ZINC000138245031 JK Annotated Mild CC1(C)O[C@](C)([C@@H]2CC[C@@](C)(N=C=S)[C@@H]3CC[C@](C)(O)[C@@H](N=C=S)[C@@H]23)CC[C@H]1Cl ZINC000138330556 JK Annotated Reactive C[C@@H]1CN2CCC[C@@H]3CCCCC[C@@H]4C(=O)[C@H](C)CN5CCC[C@@H](CCCCC[C@H](C1=O)[C@H]32)[C@H]45 ZINC000138395135 JK Annotated Anodyne CC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]([C@H](C)CCC=C(C)C)CC[C@]21C ZINC000138395272 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@](O)(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C(=O)[C@]43C)[C@@H]2C1 ZINC000138417227 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@]24C[C@@]23[C@@H](O)C[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]42)C1(C)C ZINC000138431185 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000138498400 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000138498465 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000138498577 JK Annotated Mild CC(=O)OC[C@]12C[C@@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C ZINC000138565548 JK Annotated Anodyne CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)CCC[C@H](C)C(=O)O ZINC000138568317 JK Annotated Mild CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000138573703 JK Annotated Mild CC[C@@]12CC[C@@H](c3cc(Cl)cc(OCCO)c3)[C@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](C)NC2=O ZINC000138588757 JK Annotated Anodyne in-vivo CC[C@@]12CC[C@@H](c3cc(Cl)cc(OCCO)c3)[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](C)NC2=O ZINC000138588892 JK Annotated Anodyne in-vivo C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000138612598 JK Annotated Anodyne C[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@]4(CCC[C@@]32C)C[C@@H]4C)[C@@H]2CCC3=C(C(=O)O[C@@H]3C)[C@@]12C ZINC000138688711 JK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000138697098 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000138704227 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000138708824 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1 ZINC000138729226 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000138756852 JK Annotated Anodyne C[C@@H]1[C@H]2c3cc(NCc4ccccc4)ccc3C[C@@H](c3ccc(NCc4ccccc4)cc32)N1C ZINC000138789378 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1sc2ncc(Cl)cc2c1-c1ccc(Cl)cc1 ZINC000138838511 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(Cl)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1 ZINC000138838750 JK Annotated Anodyne C=C1CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000138875080 JK Annotated Mild CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]12C ZINC000138879680 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(CO)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138913372 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C[C@H](O)C(=O)OC ZINC000138914113 JK Annotated Anodyne CC(C)c1cc2c(cc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000138941141 JK Annotated Bother CC1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H](c2ccccc2OC(C)C)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000138942502 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H](c2ccccc2OC(C)C)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000138942708 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H](c2ccccc2OC(C)C)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000138942923 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H](c2ccccc2OC(C)C)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000138943141 JK Annotated Mild CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OCc3ccccc3)OO2)C(C)(C)CCC1 ZINC000138984701 JK Annotated Reactive CC1=C[C@@H](C)[C@@H]2[C@H](C=C[C@@H]3[C@H]2C(=O)C(Cl)(Cl)C(=O)[C@H](C)C(=O)O[C@@H](C)/C=C/C=C\[C@H]3C)C1 ZINC000138989473 JK Annotated Anodyne C1=C\CCCCN2CC[C@H]3[C@H](CCCCCC/C=C/CCCCN4C[C@@H](CCCC/1)C[C@@H]3C4)C2 ZINC000139001122 JK Annotated Anodyne C1=C\CC[C@@H]2CN3CCCC/C=C/CCCC[C@H]4C[C@H](CN(CCCCCCCC/1)C4)[C@H]2CC3 ZINC000139001237 JK Annotated Anodyne C1=C/CC[C@@H]2CN3CCCC/C=C/CCCC[C@H]4C[C@H](CN(CCCCCCCC/1)C4)[C@H]2CC3 ZINC000139001358 JK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C#N)[C@@H]1c1ccco1 ZINC000139014279 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C#N)[C@@H]1c1ccco1 ZINC000139014401 JK Annotated Mild CO[C@@](C)(CCCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O ZINC000139030552 JK Annotated Anodyne Cc1cc(O)cc(Oc2cc(C)c(Cc3ccc([C@@](C)(O)CCCC(C)C)c(O)c3)c(O)c2)c1 ZINC000139030688 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2ccc(C#N)cc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139044047 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000139045553 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000139045663 JK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)C(C)=C(CC/C(C)=C/C(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000139045901 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(OCF)cc1 ZINC000139046526 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(OCF)cc1 ZINC000139046623 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2ccc(C(F)(F)F)nc2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139047451 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2ccc(C(F)(F)F)nc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139047573 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 ZINC000139048355 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 ZINC000139048444 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccc3ccccc23)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139048595 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccc3ccccc23)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139048690 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(OCF)cc1 ZINC000139048794 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(OCF)cc1 ZINC000139048903 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000139049439 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000139049543 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2cccc3c2CCCC3)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139049653 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2cccc3c2CCCC3)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139049750 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1 ZINC000139049864 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1 ZINC000139049945 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000139050062 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000139050156 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2n[nH]c3ccccc23)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139050732 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2n[nH]c3ccccc23)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139050820 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139051120 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139051194 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2ccc(C#N)cc2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139052615 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2ccc(C#N)cc2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139052705 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(OCF)cc1 ZINC000139052833 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(OCF)cc1 ZINC000139052945 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000139053066 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000139053183 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000139054269 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000139054395 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000139054772 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000139054892 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(OCF)cc1 ZINC000139055215 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(OCF)cc1 ZINC000139055309 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 ZINC000139057001 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 ZINC000139057111 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccc3ccccc23)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139057230 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccc3ccccc23)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139057331 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000139058171 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000139058306 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2cccc3c2CCCC3)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139058467 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2cccc3c2CCCC3)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139058552 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1 ZINC000139058651 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1 ZINC000139058756 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000139059340 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000139059452 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2n[nH]c3ccccc23)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139059602 JK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2n[nH]c3ccccc23)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139059674 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(OC(F)F)cc1 ZINC000139059790 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(OC(F)F)cc1 ZINC000139059888 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139059987 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139060075 JK Annotated Anodyne COc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)c(OC)n1 ZINC000139078600 JK Annotated Anodyne C/C=C(\C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2 ZINC000139087196 JK Annotated Anodyne C=C1[C@H](C)Cc2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@@H]1OC(=O)/C(C)=C\C)OCO3 ZINC000139087315 JK Annotated Mild C/C=C/CCc1c(C)cc2c(c1O)OC[C@@]2(C)c1oc2c(O)c(CC/C=C/C)c(C)cc2c1C ZINC000139113810 JK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000139210882 JK Annotated Anodyne CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000139258720 JK Annotated Mild CC(=O)[C@@]1(OC(=O)c2ccc(F)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000139263023 JK Annotated Mild CC(=O)[C@@]1(OC(=O)c2ccc(Cl)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000139263149 JK Annotated Mild CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C\2C ZINC000139291705 JK Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)sc2ccncc21 ZINC000139304682 JK Annotated Anodyne CC(C)[C@](C)(O)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000139309244 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C\CCCCCC[C@H]4C[C@H](CN(C4)C1)[C@@H]2CC3 ZINC000139324552 JK Annotated Anodyne N=c1ccn(Cc2ccc3ccc4ccc(Cn5ccc(=N)c6ccccc65)cc4c3c2)c2ccccc12 ZINC000139334751 JK Annotated Bother O=C(NCCc1ccc(C(F)(F)F)cc1)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139354783 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)[C@H](O)C[C@]34O[C@@H]5CC6=C(CC[C@H](O)C6(C)C)[C@](C)(CC[C@@]3(C)[C@H]12)[C@@]54C ZINC000139357632 JK Annotated Anodyne Cc1ccc2c(-c3ccc4c(c3Cl)CCCO4)c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2c1 ZINC000139370483 JK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c(C(=O)c3ccccc3)c1O)OC(C)(C)[C@H](O)C2 ZINC000139475865 JK Annotated Anodyne COC[C@H](Cc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139498979 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc([C@@H]5CCCO5)s4)ccn23)c1 ZINC000139499733 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc([C@H]5CCCO5)s4)ccn23)c1 ZINC000139499848 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc5c(s4)CCC5)ccn23)c1 ZINC000139500117 JK Annotated Anodyne COC[C@H](C/C=C/c1ccc(O)cc1)[C@H](OC/C=C/c1ccc(OC(C)=O)cc1)c1ccc(O)cc1 ZINC000139530630 JK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000139551001 JK Annotated Anodyne investigational O[C@@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000139563572 JK Annotated Anodyne Cc1cc(Cl)nnc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139584202 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000139659631 JK Annotated Mild O=C(CN1CCCCC1)n1c2ccccc2sc2cccc(Cl)c2n1C(=O)CN1CCCCC1 ZINC000139718279 JK Annotated Bother COc1cc(-c2ncn(C)c2-c2ccc3c(c2)c(Cl)cn3C)cc(Br)c1OC ZINC000139766300 JK Annotated Anodyne CC1(C)NC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(-c3ccc(C(F)(F)F)nn3)cc21 ZINC000139787475 JK Annotated Anodyne CC1(C)NC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(-c3ccc(C(F)(F)F)nn3)cc21 ZINC000139787614 JK Annotated Anodyne COC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(SCc3ccccc3Cl)ncc12 ZINC000139800849 JK Annotated Anodyne O=[N+]([O-])c1ccc(CCSc2nc3c(Br)cc(Br)cc3[nH]2)cc1 ZINC000139802997 JK Annotated Bother CC(=O)[C@]12O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC[C@@]1(O)C(=O)C(C)=C2C ZINC000139824177 JK Annotated Mild COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCc1ccccc1 ZINC000139832618 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(\C)C=O)CC[C@]3(C)O)O1 ZINC000139850034 JK Annotated Reactive CC(=O)OCCC[C@H](C)C(CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12)=C(C)C ZINC000139861003 JK Annotated Anodyne CCN(CC)Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139877948 JK Annotated Anodyne CC(C)/N=C(\N)c1ccc2cc(-c3ccc(-c4cc5ccc(/C(N)=N/C(C)C)cc5[nH]4)cc3)[nH]c2c1 ZINC000139891485 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@H]1C ZINC000139927825 JK Annotated Reactive CO[C@H]1CC[C@]2(C)[C@H]3C[C@H]4C(=O)[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]4(O)C[C@]3(C)CC[C@H]2C1(C)C ZINC000139943849 JK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H](/C(C)=C/C(=O)C=C(C)C)CC[C@]42C)OC(=O)C[C@@]13C ZINC000139985884 JK Annotated Mild CCN(CC)c1ccc(NC(=O)[C@@]2(NC(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000014022270 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090051 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090054 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090056 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090059 JK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@]45CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@]4(CC[C@@H]32)O5)C1(C)C ZINC000014166002 JK Annotated Anodyne CCCCCCCCCCCCCCC[C@@H]1CC[C@@H](COCCCCCC[n+]2ccsc2)O1 ZINC000014236263 JK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC[C@@H](COCCCCCC[n+]2ccsc2)O1 ZINC000014236268 JK Annotated Mild CCCCCCCCCCCCCCC[C@@H]1CC[C@H](COCCCCCC[n+]2ccsc2)O1 ZINC000014236273 JK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC[C@H](COCCCCCC[n+]2ccsc2)O1 ZINC000014236277 JK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(C[S@@](=O)c3cccc(C(=O)O)c3)cc2c1 ZINC000014262640 JK Annotated Mild CCCCCCCC[C@H](O)c1ccc2ccc(C[S@@](=O)c3cccc(C(=O)O)c3)cc2c1 ZINC000014262642 JK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(C[S@](=O)c3cccc(C(=O)O)c3)cc2c1 ZINC000014262644 JK Annotated Mild CCCCCCCC[C@H](O)c1ccc2ccc(C[S@](=O)c3cccc(C(=O)O)c3)cc2c1 ZINC000014262646 JK Annotated Mild C/C=C(\C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C(C)\C=C\[C@@H]1CC=CC(=O)O1 ZINC000014293934 JK Annotated Anodyne CC(=O)[C@]12O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC[C@@]1(O)C(=O)C(C)=C2C ZINC000014413034 JK Annotated Mild C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000014438398 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000014438404 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)[C@@](C)(O)CO)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000014438406 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000014438412 JK Annotated Anodyne CC(=O)C1=C[C@@]2(C)[C@@H](OC(=O)C[C@H](C)O)C[C@H]3[C@@](C)(CC[C@H]4[C@@]5(CCC[C@@]43C)C[C@@H]5C)[C@@H]2CC1=O ZINC000014440973 JK Annotated Mild COC(=O)c1c(O)c(C)c(O)c(C(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)c1OC ZINC000014441512 JK Annotated Anodyne CC(C)=CCc1c(C)c(C/C=C(\C)CO)c2c(c1O)C(=O)c1c(O)cc(O)c(CC=C(C)C)c1C2 ZINC000014442986 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000014448892 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000014448894 JK Annotated Mild COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000014449567 JK Annotated Anodyne CC(C)COC(=O)[C@@H](O)CCCCCCCCCCCCCCCCCc1ccc(O)cc1 ZINC000014455478 JK Annotated Anodyne CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=C[C@@](C)(CCC=C(C)C)O2 ZINC000014490524 JK Annotated Anodyne CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=C[C@@](C)(CCC=C(C)C)O2 ZINC000014490526 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@]1(C)C=Cc2c(c(C(=O)C(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000014490540 JK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(c(C(=O)C(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000014490543 JK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]34C(=O)O[C@]12[C@H]3CC[C@H]1[C@@]2(C)C=C[C@](C)(CO)[C@H]2CC[C@]14C ZINC000014493574 JK Annotated Mild O=C1CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OCCCC1 ZINC000014496042 JK Annotated Anodyne O=C1CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OCCCC1 ZINC000014496045 JK Annotated Anodyne C/C(=C\Cc1c(O)c2c(c3cc(-c4cc(O)cc(O)c4)oc13)C=CC(C)(C)O2)CCCC(C)(C)O ZINC000140031716 JK Annotated Anodyne CC(=O)O[C@@H](C/C=C1/CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)OC1=O)C1=CC(=O)OC1 ZINC000140035729 JK Annotated Anodyne CNC(=O)c1c(N(C)C=O)ncn1C/C=C(\C)CC/C=C(\C)CCC/C(C)=C\C(=O)CC(C)C ZINC000140045124 JK Annotated Mild CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1 ZINC000140049598 JK Annotated Mild C=C(C)[C@H]1CC=C2[C@@H](CC[C@@]3(C)[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000140073805 JK Annotated Mild C[C@@H]1C[C@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@@H]4C(C)(C)[C@@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000140086965 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H](O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000140136031 JK Annotated Anodyne N[C@H]1C[C@@H](C(F)(F)F)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(C3CCCCC3)n2)C1 ZINC000140156440 JK Annotated Anodyne C/C(=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C)C(=O)O ZINC000140164274 JK Annotated Mild CC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1 ZINC000140164291 JK Annotated Anodyne COc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)ccc2F)c(F)c1 ZINC000140167453 JK Annotated Anodyne N#C[C@H](O)CCCCCCCCCCCCCCC/C=C\CCCCCc1ccc(C=O)[nH]1 ZINC000140171026 JK Annotated Reactive COc1cc(/C=C/[C@@H]2c3c(ccc4c3OCO4)-c3ccc4cc5c(cc4c3N2C)OCO5)ccc1O ZINC000140174052 JK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)ccc(F)c3F)n2)C1 ZINC000140178476 JK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c21)[C@@H](c1ccc(O)cc1)O3 ZINC000140181692 JK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@H](O)C(C)=C1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000140184103 JK Annotated Anodyne C=C1CCC[C@@]2(C)C[C@@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000140190024 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(F)c(CCc3cccc(Cl)c3)[nH]c(=O)c2Br)c1 ZINC000140192013 JK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)ccc2F)c1F ZINC000140202810 JK Annotated Anodyne CO[C@H](c1ccc(O)cc1)[C@@H]1c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c21)[C@@H](c1ccc(O)cc1)O3 ZINC000140207684 JK Annotated Anodyne CCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 ZINC000140241452 JK Annotated Anodyne CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)ncn1 ZINC000140241608 JK Annotated Anodyne CC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1 ZINC000140243375 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H](C(C)(C)O)[C@@]5(CCC(=O)O5)C[C@H]4CC[C@]23C)OC1=O ZINC000140255838 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H](C(C)(C)O)[C@@]5(CCC(=O)O)C[C@@]45CC[C@]23C)OC1=O ZINC000140255993 JK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1F ZINC000140260934 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(C)=CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)OC ZINC000140275556 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1O ZINC000140284305 JK Annotated Anodyne Cc1nccn1CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140323110 JK Annotated Anodyne Cc1nccn1CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140323290 JK Annotated Anodyne CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000140327086 JK Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(CC[C@H](CCCc3ccoc3)COS(=O)(=O)O)[C@H](C)CC[C@@]12C ZINC000140327625 JK Annotated Mild COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000140330905 JK Annotated Anodyne COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000140331057 JK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](OC(C)=O)[C@@H](C(C)=O)C[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000140338655 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@H]3c2ccc(Cl)cc2C(F)(F)F)ccc1-c1cnc(C)o1 ZINC000140354336 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@H]3c2ccc(Cl)cc2C(F)(F)F)ccc1-c1cnc(C)o1 ZINC000140354539 JK Annotated Anodyne C[C@H]1CN2CCC[C@H]3CCCCC[C@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCCC[C@H]1O[C@@H]32)[C@@H]45 ZINC000140358423 JK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c([C@@H](C)O)n(Cc3ccccn3)c2c1 ZINC000140381662 JK Annotated Anodyne CC[C@H]1Oc2cc(oc(=O)c2Br)CCCCC#CC/C=C\C/C=C\C[C@@H]1Br ZINC000140403815 JK Annotated Reactive O=C(O)[C@H](CC1CCC1)c1cc(Cl)c(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000140404002 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)/C=C/C(C)(C)O ZINC000140407135 JK Annotated Mild CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000140413748 JK Annotated Anodyne CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(Cl)=C\[C@@]12O[C@@H]1CC=C(C)C2=O)OC ZINC000140422657 JK Annotated Mild COc1cc(-c2nnc3n2CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-c1cnc(C)o1 ZINC000140434678 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@H]3c2ccccc2C(F)(F)F)ccc1-c1cnc(C)o1 ZINC000140434841 JK Annotated Anodyne CCCCCC[C@@](O)(CCCCc1ccc(OS(N)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000140469405 JK Annotated Anodyne CCCCCC[C@](O)(CCCCc1ccc(OS(N)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000140469566 JK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000140473124 JK Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(-c3cccc(OC(F)(F)F)c3)ccc1CC21CCc2ccccc2CC1 ZINC000140473362 JK Annotated Anodyne CN1O[C@]2(N=C1N)c1cc(-c3cccc(OC(F)(F)F)c3)ccc1CC21CCc2ccccc2CC1 ZINC000140473481 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](CCC(=C)C(C)(C)O)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000140477271 JK Annotated Mild CC[C@H]1Oc2oc(cc(=O)c2Br)CCCCC#CC/C=C\C/C=C\C[C@@H]1Br ZINC000140482740 JK Annotated Reactive CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3ccc(Br)cc3C[C@@H]12 ZINC000140498827 JK Annotated Reactive CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3c(C)noc3C)c2)cn1 ZINC000140501438 JK Annotated Anodyne N#C[C@@H](c1ccnc(NCCc2ccc(Br)cc2)n1)c1nc2ccccc2s1 ZINC000140508903 JK Annotated Mild N#C[C@H](c1ccnc(NCCc2ccc(Br)cc2)n1)c1nc2ccccc2s1 ZINC000140509060 JK Annotated Mild C=C(C)[C@@H](C)CCC(=C)[C@H](C)CC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000140513613 JK Annotated Mild COc1cc(-c2nnc3n2CCCC[C@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000140520515 JK Annotated Anodyne COc1cc(-c2nnc3n2CCCC[C@@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000140520666 JK Annotated Anodyne C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@@]1(CC[C@H]2[C@@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000140525686 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@H]3c2cccc(C(F)(F)F)c2)ccc1-c1cnc(C)o1 ZINC000140531384 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@H]3c2cccc(C(F)(F)F)c2)ccc1-c1cnc(C)o1 ZINC000140531569 JK Annotated Anodyne CC1=C(CC[C@H]2[C@@H](C)CC[C@H]3OC(C)(C)C(=O)CC[C@]23C)[C@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O ZINC000140543042 JK Annotated Mild CC1=C(CC[C@H]2[C@@H](C)CC[C@H]3OC(C)(C)C(=O)CC[C@]23C)[C@]2(C)CCC(=O)C(C)(C)[C@@H]2C=C1 ZINC000140543370 JK Annotated Anodyne CC1=C(CC[C@H]2[C@@H](C)CC[C@H]3OC(C)(C)C(=O)CC[C@]23C)[C@]2(C)CCC(=O)C(C)(C)[C@H]2C=C1 ZINC000140543740 JK Annotated Anodyne C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(Br)[C@H](Cl)C2 ZINC000140552423 JK Annotated Reactive C[C@@H](CC(=O)N[C@@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl ZINC000140557733 JK Annotated Anodyne C[C@@H](CC(=O)N[C@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl ZINC000140557888 JK Annotated Anodyne C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl ZINC000140558052 JK Annotated Anodyne C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl ZINC000140558237 JK Annotated Anodyne CC(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140573437 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12CCN(C)[C@@H]1Nc1c(Br)cc(Br)c(O)c12 ZINC000140596330 JK Annotated Anodyne C/C=C/[C@H](C)/C=C(/C)C/C=C/CCc1nc(-c2nc([C@@H](C[C@@H]3CCC[C@@](C)(OC)O3)OC)co2)co1 ZINC000140598552 JK Annotated Anodyne O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4-c4ccccc4)n3)cc2)C1 ZINC000140604744 JK Annotated Anodyne O=C1c2ccccc2[C@@](O[C@@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000140604758 JK Annotated Bother O=C1c2ccccc2[C@](O[C@@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000140605020 JK Annotated Bother CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000140628291 JK Annotated Anodyne C=CCCCCCCC[C@@H](O)[C@H]1C[C@H](OC(=O)CCCCCCCCCCC)[C@H](CCCCC)O1 ZINC000140631992 JK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000140664630 JK Annotated Reactive CN1O[C@@]2(N=C1N)c1cc(-c3ccc(F)c(Cl)c3)ccc1CC21CCc2ccccc2CC1 ZINC000140688398 JK Annotated Anodyne CN1O[C@]2(N=C1N)c1cc(-c3ccc(F)c(Cl)c3)ccc1CC21CCc2ccccc2CC1 ZINC000140688580 JK Annotated Anodyne C[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@]4(CCC[C@@]32C)C[C@@H]4C)[C@@H]2CCC3=C(C(=O)O[C@H]3C)[C@@]12C ZINC000140713457 JK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OCc1ccc2c(c1)C=C/C(=C/Cl)CO2 ZINC000140786194 JK Annotated Mild CCCCCCCCCCCCCCCC(=O)OCc1ccc2c(c1)C=C/C(=C\Cl)CO2 ZINC000140786558 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OCc1ccc2c(c1)C=C/C(=C\Cl)CO2 ZINC000140806687 JK Annotated Mild C=C1C=Cc2cc(COC(=O)CCCCCCCCCCCCCCCCC)ccc2OC1 ZINC000140807388 JK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)c4c3c(cc3ccc(O)cc34)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000140922430 JK Annotated Bother CN1O[C@@]2(N=C1N)c1cc(-c3cc(Cl)cc(C#N)c3)ccc1CC21CCc2ccccc2CC1 ZINC000141019922 JK Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cc(Cl)cc(C#N)c3)ccc1CC21CCc2ccccc2CC1 ZINC000141020134 JK Annotated Mild Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H]3c4cc(O)cc5oc6cc(O)cc(c6c45)[C@H]23)cc1 ZINC000141022925 JK Annotated Anodyne O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cnc2ccccc2n1 ZINC000141059764 JK Annotated Anodyne O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc2ccccc2s1 ZINC000141062335 JK Annotated Anodyne CC1=CC[C@@H](/C(C)=C/C=C/C(C)=C2\C(=O)C[C@H]3[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]23C)OC1=O ZINC000141080268 JK Annotated Mild COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2ccc(Cl)cc2)CCCN(C)C1 ZINC000141098009 JK Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccc(Cl)cc2)CCCN(C)C1 ZINC000141098191 JK Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2cccc(Cl)c2)CCCN(C)C1 ZINC000141123538 JK Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2cccc(Cl)c2)CCCN(C)C1 ZINC000141123729 JK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000141126236 JK Annotated Reactive CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000141126428 JK Annotated Reactive CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000141129926 JK Annotated Anodyne C=CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](C)Cl ZINC000141155428 JK Annotated Reactive CC1(C)C=Cc2c(cc3c(c2O)-c2c(O)cc(cc2O)CCCCCCCCCCCCCC3)O1 ZINC000141162242 JK Annotated Anodyne CC1(C)C=Cc2c(O)cc3c(c2O1)-c1c(O)cc(cc1O)CCCCCCCCCCCCCC3 ZINC000141162431 JK Annotated Anodyne CC1(C)C=CC2=C(O1)C(=O)C1=C(C2=O)c2c(O)cc(cc2O)CCCCCCCCCCCCCC1 ZINC000141162640 JK Annotated Mild CC1(C)C=Cc2c(cc3c(c2O)Oc2cc(O)cc(c2)CCCCCCCCCCCCCC3)O1 ZINC000141162843 JK Annotated Anodyne Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 ZINC000141217384 JK Annotated Anodyne C[S@@](=O)c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 ZINC000141237101 JK Annotated Anodyne C[S@](=O)c1ccc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 ZINC000141237276 JK Annotated Anodyne Cc1ccc([C@H](C)CC[C@@H]2[C@@]3(C)CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@@H]3CC[C@@]2(C)O)cc1 ZINC000141246172 JK Annotated Anodyne CCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F ZINC000141338220 JK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3)co2)c1 ZINC000141349283 JK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3)co2)c1 ZINC000141349492 JK Annotated Anodyne C1=C\CCCCCC[C@@H]2CN3CC/C=C\C=C/CCCCc4cc(c[n+](c4)CC\C=C/1)[C@@H]2CC3 ZINC000141356067 JK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@]3(O)CC[C@@H](CO)C(C)(C)C3)s2)c1 ZINC000141376099 JK Annotated Anodyne COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CCC#N)n2)ccc1-n1cnc(C)c1 ZINC000141400985 JK Annotated Anodyne CSc1ccc(-c2ccc3c(-c4ccc([C@@H](O)C(F)F)cc4)cc(C(=O)O)cc3c2)cc1 ZINC000141405046 JK Annotated Anodyne O=C(O)c1cc(-c2csc([C@H](O)C(F)F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 ZINC000141417924 JK Annotated Anodyne O=C(O)c1cc(-c2csc([C@@H](O)C(F)F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 ZINC000141418105 JK Annotated Anodyne O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)cc2c1 ZINC000141418323 JK Annotated Anodyne C/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O ZINC000141426755 JK Annotated Mild Cc1cccc(C)c1COc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)O)cc2c1 ZINC000141432403 JK Annotated Anodyne CS(=O)(=O)c1cc(-c2cc(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)cs1 ZINC000141432628 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(-c3ncn[nH]3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 ZINC000141433052 JK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)[C@H](C)C3)s2)c1 ZINC000141455761 JK Annotated Anodyne CC(C)n1c(=O)oc2cc(NC(=O)[C@@H]3CC[C@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 ZINC000141485158 JK Annotated Mild COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000141584179 JK Annotated Anodyne Cc1ccc(F)cc1[C@H]1NC(=O)C=C(c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000141610423 JK Annotated Anodyne CC(=O)OCC[C@@]1(C)[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C/CC(C)C ZINC000141630392 JK Annotated Mild COc1c(-n2cnc(C)c2)ccc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)c1F ZINC000141680628 JK Annotated Anodyne CC1=C2[C@@H](OC(=O)[C@H](C)C3=C[C@]4(C)[C@@H](C)CCC[C@@H]4CC3=O)[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@]2(O)OC1=O ZINC000141713171 JK Annotated Mild O=c1cc(COc2ccccc2)n(Cc2ccccc2)cc1Oc1ccc(Cl)cc1Cl ZINC000141752725 JK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@]45C(=O)O[C@H](C[C@]4(C)[C@H]3CC[C@@]21C)[C@@]1(C)CCC(C)(C)C[C@H]15 ZINC000141753060 JK Annotated Anodyne C=C1CCC[C@@]2(C)C[C@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000141770963 JK Annotated Mild Cc1nc(N[C@H](C)c2cccc(NC(=O)c3ccn(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141806880 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(NC(=O)c3ccn(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807105 JK Annotated Anodyne Cc1cc(COc2cccc([C@@H](C)Nc3cc(-c4ccc5ccn(C)c5c4)nc(C)n3)c2)n(C)n1 ZINC000141808133 JK Annotated Anodyne Cc1cc(COc2cccc([C@H](C)Nc3cc(-c4ccc5ccn(C)c5c4)nc(C)n3)c2)n(C)n1 ZINC000141808365 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCCC(=O)N(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141811030 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCCC(=O)N(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141811239 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3nc(C(=O)O)co3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141816421 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3nc(C(=O)O)co3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141816642 JK Annotated Anodyne CCc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000141825462 JK Annotated Anodyne CCc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000141825673 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141825872 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141826065 JK Annotated Anodyne COc1cncc(-c2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c1 ZINC000141830596 JK Annotated Anodyne COc1cncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c1 ZINC000141830784 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c(C)n1 ZINC000141868755 JK Annotated Anodyne Cc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c(C)n1 ZINC000141868957 JK Annotated Anodyne C=C(C)[C@@H](C/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O)CC/C(=C/CCc1ccoc1)C(=O)O ZINC000141879786 JK Annotated Mild Cc1nc(N[C@@H](C)c2cccc(-c3cnn(CC(=O)O)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141880482 JK Annotated Anodyne C=CCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H]3O[C@@]4(CC[C@H](C)CN4)[C@@H](C)[C@@H]32)C1 ZINC000141882724 JK Annotated Mild CCN(C)C(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000141888800 JK Annotated Anodyne CCN(C)C(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000141889014 JK Annotated Anodyne Cc1ccc(COc2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cc1 ZINC000141891674 JK Annotated Anodyne Cc1ccc(COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cc1 ZINC000141891875 JK Annotated Anodyne COc1ccc(-c2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1 ZINC000141901172 JK Annotated Anodyne COc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1 ZINC000141901346 JK Annotated Anodyne CCO[C@H]1c2cc3c(nc2[C@@]2(C)OC(=O)C[C@H]2C1(C)C)CC[C@]1(C)C3=CC(=O)O[C@H]1c1ccoc1 ZINC000141924689 JK Annotated Anodyne Cc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000141932250 JK Annotated Anodyne CCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(O)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000141935519 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(CO)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141959792 JK Annotated Anodyne NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)C(F)(F)CCN3C(=O)c2c(F)cccc2Cl)c1 ZINC000141970658 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2ccc3scc(C)c3c2)n1 ZINC000141993594 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000142015576 JK Annotated Anodyne O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000142017819 JK Annotated Anodyne O=C(CCc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000142021337 JK Annotated Anodyne O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)c1cccs1 ZINC000142023201 JK Annotated Anodyne in-vitro O=C(O)C[C@H]1CC[C@@H](c2ccc(-c3ccc4c(ccn4C(=O)Nc4ccccc4)c3)cc2)CC1 ZINC000142024874 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc([C@@H](C)O)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142035749 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc([C@H](C)O)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142035943 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3noc(C)n3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142039151 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3noc(C)n3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142039370 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142040945 JK Annotated Anodyne CCn1cc(-c2cncc([C@@H](C)Nc3cc(-c4cc(F)c5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000142043126 JK Annotated Anodyne CCn1cc(-c2cncc([C@H](C)Nc3cc(-c4cc(F)c5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000142043346 JK Annotated Anodyne C=C=CCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000142050180 JK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000142050346 JK Annotated Anodyne CCN(CC)C(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142057622 JK Annotated Anodyne CCN(CC)C(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142057816 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)N3CCCCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142059311 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N3CCCCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142059538 JK Annotated Anodyne Cc1cc(COc2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 ZINC000142075310 JK Annotated Anodyne Cc1cc(COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 ZINC000142075541 JK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000142096201 JK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(Br)cc1 ZINC000142099640 JK Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(C(C)(F)F)c(Cl)c1 ZINC000142101127 JK Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000142102771 JK Annotated Anodyne C[C@@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000142130408 JK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000142130618 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3cccnc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142137360 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3cccnc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142137574 JK Annotated Anodyne C[C@@H](Nc1nccc(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000142145150 JK Annotated Clean C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000142145362 JK Annotated Clean Cc1nc(N[C@@H](C)c2cccc(-c3cncc(CO)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142150049 JK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)N(C)C(C3CC3)C3CC3)s2)c1 ZINC000142181704 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCCN3CCCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142192327 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCCN3CCCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142192533 JK Annotated Anodyne O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc2ccccc12 ZINC000142193300 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)NC(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142196070 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)NC(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142196260 JK Annotated Anodyne CCCNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142213878 JK Annotated Anodyne CCCNC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142214086 JK Annotated Anodyne O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1 ZINC000142283643 JK Annotated Anodyne CC(C)c1ccc(N([C@H](C)C(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)nc1 ZINC000142289456 JK Annotated Anodyne CC(C)c1ccc(N([C@@H](C)C(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)nc1 ZINC000142289676 JK Annotated Anodyne O=C(O)C[C@@H](c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1cccnc1 ZINC000142310328 JK Annotated Anodyne O=C(O)C[C@H](c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1cccnc1 ZINC000142310537 JK Annotated Anodyne CCN(CC)CCCOc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142342404 JK Annotated Anodyne CCN(CC)CCCOc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142342613 JK Annotated Anodyne O=C1c2cccc(Cl)c2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc(Br)cc1 ZINC000142352334 JK Annotated Anodyne O=C1c2cccc(Cl)c2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc(Br)cc1 ZINC000142352523 JK Annotated Anodyne CC(=O)C1=C(Oc2oc3c(c2C)C[C@]2(C)[C@@H](C)CCC[C@@H]2[C@@H]3O)C[C@H]2CCC[C@H](C)[C@@]2(C)C1 ZINC000142375552 JK Annotated Mild CC(C)(O)CCC[C@@]1(C)C=Cc2c(c(O)c(CCC(C)(C)O)c3cc(-c4cc(O)cc(O)c4)oc23)O1 ZINC000142377325 JK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3oc(-c4cc(O)cc(O)c4)cc13)C=C[C@@](C)(CCCC(C)(C)O)O2 ZINC000142392579 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c(O)c(CCC(C)(C)O)c3cc(-c4cc(O)cc(O)c4)oc23)O1 ZINC000142392812 JK Annotated Anodyne Cc1c(OCF)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000142404591 JK Annotated Anodyne Cc1c(OCF)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000142404809 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cc(F)cc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142446463 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cc(F)cc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142446675 JK Annotated Anodyne O=C(Cc1cccc2ccccc12)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000142461552 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@@H]1NC(=O)C(=C)NC1=O ZINC000142473136 JK Annotated Mild O=C(Cc1noc2ccccc12)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 ZINC000142487403 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@@H]3CCCNC3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142522453 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@@H]3CCCNC3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142522686 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@H]3CCCNC3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142522888 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@H]3CCCNC3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142523119 JK Annotated Anodyne C#C/C=C\CCCCCCCCCCC#CCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000142580742 JK Annotated Mild O[C@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000142582050 JK Annotated Anodyne O[C@@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000142582234 JK Annotated Anodyne Cc1cc2c(cc1[C@@H](NCc1cccc(F)c1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C ZINC000142593833 JK Annotated Anodyne Cc1cc2c(cc1[C@H](NCc1cccc(F)c1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C ZINC000142594034 JK Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)cc(-c2ccc(C)cc2)c1 ZINC000142614148 JK Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)cc(-c2ccc(C)cc2)c1 ZINC000142614347 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142615073 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142615295 JK Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2c(-c3ccccc3)noc2C)cc(-c2ccc(C)cc2)c1 ZINC000142617916 JK Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2c(-c3ccccc3)noc2C)cc(-c2ccc(C)cc2)c1 ZINC000142618128 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C(=O)C(C)C)c3ccncn3)c2)cc1 ZINC000142635722 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C(=O)C(C)C)c3ccncn3)c2)cc1 ZINC000142635910 JK Annotated Anodyne COc1ccc(-c2oc3cc(OC)c(/C=C/C(C)C)c(O)c3c(=O)c2CC=C(C)C)c(OC)c1 ZINC000142647287 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C3CCCCC3)c2)cc1 ZINC000142654547 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C3CCCCC3)c2)cc1 ZINC000142654740 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)c(Cl)c1 ZINC000142655004 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)c(Cl)c1 ZINC000142655194 JK Annotated Anodyne CC(C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(Cl)cc2Cl)c1 ZINC000142659101 JK Annotated Anodyne CC(C)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(Cl)cc2Cl)c1 ZINC000142659304 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(CC(=O)O)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142665452 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(CC(=O)O)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142665667 JK Annotated Anodyne c1ccc(CCN2C[C@H](c3[nH]c(-c4ccccc4)nc3-c3ccccn3)CC[C@H]2c2ccccc2)cc1 ZINC000142701458 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC(=O)C[C@@]2(C)CCC[C@@]2(C)C(=O)CCC(C)(C)O)c1 ZINC000142704048 JK Annotated Anodyne COCC1=CC[C@](C)(C/C=C/C(C)(C)OC)[C@@H](/C=C/OC(=O)C=C(C)C)[C@H](CC(C)=O)C1=O ZINC000142719272 JK Annotated Mild CCCCN(CCCC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12 ZINC000142743849 JK Annotated Anodyne O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1 ZINC000142771790 JK Annotated Anodyne CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCc1ccco1 ZINC000142772979 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000142793645 JK Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)/C1=C\C[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000142817095 JK Annotated Anodyne O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cccc3Br)cc2c1 ZINC000142842758 JK Annotated Anodyne CCCCCC12CCC(COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)(CC1)CC2 ZINC000142857135 JK Annotated Anodyne C=C(CC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1 ZINC000142861383 JK Annotated Mild CN1C(=O)c2c(nn(Cc3ccc(C(F)(F)F)cc3)c2Nc2ccc(F)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000142867004 JK Annotated Anodyne CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000142867746 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000142879337 JK Annotated Anodyne O=C1O[C@@]2(Cc3ccccc3)C(=C1Cc1ccccc1)[C@@H](c1ccccc1)[C@@H](O)C[C@@H]2c1ccccc1 ZINC000142889288 JK Annotated Anodyne CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2 ZINC000142926157 JK Annotated Anodyne CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2 ZINC000142926356 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C)(C)[C@@H]4CC[C@@](C)(O)[C@@H]4C[C@@H]4O[C@@]43C)[C@@]2(C)CC[C@H]1O ZINC000142926393 JK Annotated Anodyne Cc1ccc(Nc2ccc(Oc3ncccc3C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1 ZINC000142954690 JK Annotated Anodyne Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1-c1ccc(F)c(F)c1)[C@H]2C(=O)NC(C)(C)C ZINC000142968005 JK Annotated Anodyne Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1-c1ccc(F)c(F)c1)[C@@H]2C(=O)NC(C)(C)C ZINC000142968196 JK Annotated Anodyne C1=C\CCCCCC[C@@H]2CN3CC/C=C/C=C\CCCC[C@H]4C[C@H](CN(CC\C=C/1)C4)[C@H]2CC3 ZINC000142978985 JK Annotated Anodyne CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCC(C)(C)O ZINC000143030551 JK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C)cc2)N(c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000143053207 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(F)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000143058856 JK Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CC(OCc3ccccc3)C2)cn1 ZINC000143102607 JK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2cccc(F)c2O1 ZINC000143103665 JK Annotated Anodyne CC(C)[C@@H](C)C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)cc(Cl)c4)c23)C1 ZINC000143122656 JK Annotated Anodyne COc1cc(OCc2csc(-c3cc(C)on3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143128575 JK Annotated Anodyne C[C@H](F)c1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(F)cc4o3)nc2s1 ZINC000143129050 JK Annotated Anodyne COc1cc(OCc2csc(N3CCCCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143130364 JK Annotated Anodyne COc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143131896 JK Annotated Anodyne COc1cc(OCc2csc(-c3cccnc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143132345 JK Annotated Anodyne COc1cc(OCc2csc(-c3ccncc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143133004 JK Annotated Anodyne COc1cc(OCc2csc(C3CCCCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143133216 JK Annotated Anodyne COc1cc(OCc2csc(Br)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143146051 JK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H](/C(C)=C\C(=O)C=C(C)C)CC[C@]42C)OC(=O)C[C@@]13C ZINC000143155629 JK Annotated Mild CC(C)CCOc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2ccc(C(=O)O)nc2)cc1 ZINC000143156895 JK Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1c(Oc2ccc(F)cc2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000143159079 JK Annotated Mild O=C(Nc1cc[nH]c(=O)c1)c1c(Oc2ccc(F)cc2F)cc(C(F)(F)F)cc1C(F)(F)F ZINC000143160153 JK Annotated Mild O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(OCCCC(F)(F)F)cc1 ZINC000143162710 JK Annotated Anodyne Fc1cc(F)c(CNc2ccc(Oc3cc(C(F)(F)F)ccc3C(F)(F)F)cn2)c(F)c1 ZINC000143170604 JK Annotated Mild COc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cc[nH]c(=O)c1 ZINC000143173059 JK Annotated Mild O=C(O)c1ccc(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2Oc2ccc(F)cc2)cn1 ZINC000143176060 JK Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(OC(F)(F)F)cc1 ZINC000143191093 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(Cl)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000143262933 JK Annotated Anodyne Cc1c(OC(F)F)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000143288247 JK Annotated Anodyne Cc1c(OC(F)F)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000143288430 JK Annotated Anodyne CC(=O)[C@@H](C)CCC1=CC2=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000143305530 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(CO)[C@H]3CC[C@@]21C ZINC000143315531 JK Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2ccc(C)cc2)CCCN(C)C1 ZINC000143323714 JK Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccc(C)cc2)CCCN(C)C1 ZINC000143323893 JK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2cccc(F)c2O1 ZINC000143413015 JK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccc(C(F)(F)F)cc2O1 ZINC000143413721 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cccc(-c6ccc(CO)cc6)c5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143427200 JK Annotated Anodyne N#Cc1cccc(-c2cccc3c2nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1 ZINC000143431958 JK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1 ZINC000143432170 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(-c6cn[nH]c6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143447098 JK Annotated Anodyne N#Cc1ccc(-c2cccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c23)cc1 ZINC000143447537 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6cn[nH]c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143450471 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6ccc(F)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143450693 JK Annotated Anodyne NC(=O)/C=C/c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21 ZINC000143451987 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(F)ccc5nn4c(NC4CC4)c3-c3ccccc3)cc2)CCC1 ZINC000143452203 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(-c6ccn[nH]6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143452623 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6ccc(CO)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143454242 JK Annotated Anodyne N#Cc1cccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)c1 ZINC000143454664 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6cccc(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143454882 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cccc(-c6cn[nH]c6)c5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143455096 JK Annotated Anodyne O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3cc(C(F)(F)F)ccc3Cl)cc2c1 ZINC000143458431 JK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2cc(F)ccc2O1 ZINC000143496007 JK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2ccc(C(F)(F)F)cc2O1 ZINC000143503203 JK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccc(Cl)c(Cl)c2O1 ZINC000143512848 JK Annotated Anodyne COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1 ZINC000143515953 JK Annotated Anodyne Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@H](c3cc(O)cc(O)c3)[C@H]2c2ccc(O)cc2)cc1 ZINC000143517613 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl ZINC000143537392 JK Annotated Mild [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl ZINC000143537816 JK Annotated Mild C=CCOC(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)OCC=C)ccc1C21OC(=O)c2ccccc21 ZINC000143543722 JK Annotated Mild CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)c(Cl)c2O1 ZINC000143583328 JK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2cc(F)ccc2O1 ZINC000143586348 JK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2cccc3c2CNC(=O)N3C)c2ccc(Cl)c(Cl)c2O1 ZINC000143588349 JK Annotated Anodyne O=C(O)c1ccc2nc(-c3cc4cc(Cl)ccc4o3)c(N3CCCc4cc(F)ccc43)nc2c1 ZINC000143635765 JK Annotated Anodyne C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2cccc(C(=O)NCc3ccccc3)c2)C(=N)N1 ZINC000143649506 JK Annotated Anodyne CC1(C)C[C@H]2[C@H]1CC[C@@]13C[C@]2(C)CC[C@H]1[C@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O3 ZINC000143659582 JK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2cccc(F)c2O1 ZINC000143661038 JK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc(O)c4c(ccc5ccc(O)cc54)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000143666280 JK Annotated Bother CS(=O)(=O)c1cc(-c2cc(C(=O)O)cc3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cs1 ZINC000143677878 JK Annotated Anodyne Cc1cc2cc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(F)ccc43)ccc2[nH]1 ZINC000143712580 JK Annotated Anodyne CO/C1=C\C(C)=C\C=C\C=C\[C@@](C)(O)[C@@H](O)/C=C\C=C\C(C)=C\C=C\C(C)=C\C[C@H](C)NC1=O ZINC000143760509 JK Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(C(F)(F)F)ccc43)cc2NC1=O ZINC000143761897 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000143789649 JK Annotated Anodyne COc1ccc(/C=C/COC(=O)CCCCCCC/C=C\C/C=C\CCCCCO)cc1OC ZINC000143799235 JK Annotated Anodyne COc1ccc2oc(-c3ccccc3OCc3ccccc3)cc2c1CN1CCC(N(C)C)CC1 ZINC000143799401 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6[nH]5)cc4)[nH]c3c2)=N1 ZINC000143820888 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@@H](C)CN7)cc6[nH]5)cc4)[nH]c3c2)=N1 ZINC000143821086 JK Annotated Anodyne C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6[nH]5)cc4)[nH]c3c2)=N1 ZINC000143821304 JK Annotated Anodyne c1cc2[nH]c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1 ZINC000143821818 JK Annotated Anodyne CN(C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C)c1ccccn1 ZINC000143822657 JK Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5o4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000143826089 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6o5)s4)[nH]c3c2)=N1 ZINC000143833374 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@@H](C)CN7)cc6o5)s4)[nH]c3c2)=N1 ZINC000143833584 JK Annotated Anodyne C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6o5)s4)[nH]c3c2)=N1 ZINC000143833788 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6[nH]5)s4)oc3c2)=N1 ZINC000143834002 JK Annotated Anodyne C[C@H]1CN(c2ccc(NC(=O)[C@@H]3CC[C@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 ZINC000143835422 JK Annotated Mild c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5o4)s3)[nH]c2cc1C1=NCCCN1 ZINC000143841410 JK Annotated Anodyne CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)OC(C)(C)C)cccc4o3)nc2s1 ZINC000143848932 JK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(O)cc4o3)nc2s1 ZINC000143849967 JK Annotated Anodyne COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000143852734 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000143854635 JK Annotated Mild C[C@@]12CC3CC(N4[C@H]5CC[C@@H]4C[C@H](n4c(=O)c(C(=O)O)nc6ccccc64)C5)(C1)C[C@](C)(C3)C2 ZINC000143876687 JK Annotated Anodyne C[C@@]12CC3CC(N4[C@H]5CC[C@@H]4C[C@H](n4c(=O)c(C(=O)O)nc6ccccc64)C5)(C1)C[C@@](C)(C3)C2 ZINC000143876903 JK Annotated Anodyne C[C@]12CC3CC(N4[C@H]5CC[C@@H]4C[C@H](n4c(=O)c(C(=O)O)nc6ccccc64)C5)(C1)C[C@](C)(C3)C2 ZINC000143877101 JK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1C=C(OC(=O)C(=C)[C@@H]3CC[C@@](C)(O)[C@@H]4CCC[C@@]4(C)C3)C(=O)[C@]12C ZINC000143887976 JK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1C=C(OC(=O)C(=C)[C@@H]3CC[C@H](C)[C@@H]4CCC(=O)[C@@]4(C)C3)C(=O)[C@]12C ZINC000143888164 JK Annotated Mild CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)OC(C)(C)C)cccc4o3)nc2s1 ZINC000143888975 JK Annotated Anodyne C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]4[C@@H]2CC4(C)C)C3)c1 ZINC000143907616 JK Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(C)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143922195 JK Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(C)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143922369 JK Annotated Mild CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCC(C)(C)CC2)c1=O ZINC000143924949 JK Annotated Anodyne CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC(C)(C)CC(C)(C)C2)c1=O ZINC000143925763 JK Annotated Anodyne O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)cc2c1 ZINC000144034787 JK Annotated Anodyne O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000144043635 JK Annotated Anodyne CC(C)=C[C@H](O)C/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)cc(O)c1O)C(=O)O ZINC000144063588 JK Annotated Clean C=C(C)[C@H](O)CC/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)cc(O)c1O)C(=O)O ZINC000144064028 JK Annotated Mild Cc1cc(COc2cccc([C@@H](C)Nc3cc(-c4cc5ccccc5n4C)nc(C)n3)c2)n(C)n1 ZINC000144075674 JK Annotated Anodyne Cc1cc(COc2cccc([C@H](C)Nc3cc(-c4cc5ccccc5n4C)nc(C)n3)c2)n(C)n1 ZINC000144075938 JK Annotated Anodyne CCN(C(=O)c1cccnc1)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000144102742 JK Annotated Anodyne CCN(C(=O)c1cccnc1)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000144102952 JK Annotated Anodyne CCN(C(=O)OCC(C)C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000144122867 JK Annotated Anodyne CCN(C(=O)OCC(C)C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000144123058 JK Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000144166148 JK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2cc(F)ccc2O1 ZINC000144209617 JK Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3Nc3ccccn3)CC2)c1 ZINC000144248309 JK Annotated Anodyne O=C(Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)NC2)c1ccccc1 ZINC000144270152 JK Annotated Anodyne Cc1c(-c2ccc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cnc([C@@H](O)C(F)(F)F)c1Cl ZINC000144292767 JK Annotated Anodyne C/C(=C\CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO ZINC000144301180 JK Annotated Reactive C/C(C=O)=C\CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000144301396 JK Annotated Reactive C=C(C)C(=O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000144301608 JK Annotated Reactive N#Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(Nc3cccnc3)nc2c1 ZINC000144321398 JK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccc(Cl)c(Cl)c2O1 ZINC000144332953 JK Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3C[C@](C)(CF)Oc4cc(C(F)(F)F)ccc43)cc2NC1=O ZINC000144335919 JK Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@H]3C[C@H]3c3ccc(CN(C)C)cc3)ncc2c1 ZINC000144348807 JK Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(CN(C)C)cc3)ncc2c1 ZINC000144349020 JK Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(CN(C)C)cc3)ncc2c1 ZINC000144349226 JK Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(CN(C)C)cc3)ncc2c1 ZINC000144349414 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(CC[C@]43C)OO6)[C@H]12 ZINC000144381433 JK Annotated Reactive O=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CCCC2)CC1 ZINC000144388095 JK Annotated Anodyne CC(=O)O[C@H]1C=C(CC(=O)O)C(=O)C[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000144408699 JK Annotated Mild CC(C)OCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000144419420 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)C(=O)C[C@]5(C)CC[C@]4(CO)[C@H]3CC[C@@]21C ZINC000144423783 JK Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(CC(C)C)cc2)nc2ccc(C(F)(F)F)cc21 ZINC000144428673 JK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2ccc(Cl)c(Cl)c2O1 ZINC000144428693 JK Annotated Anodyne Cc1c(-c2ccc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cnc([C@H](O)C(F)(F)F)c1Cl ZINC000144438134 JK Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNCc2ccncc2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144449716 JK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNCc2ccncc2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144449935 JK Annotated Anodyne COc1ccc(Nc2nc3ccccc3nc2N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000144458972 JK Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNCc2ccccn2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144461425 JK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNCc2ccccn2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144461629 JK Annotated Anodyne N#Cc1ccc2nc(NCCC(F)(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2c1 ZINC000144461749 JK Annotated Anodyne CC(C)CCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000144493612 JK Annotated Anodyne N#Cc1ccc2nc(Nc3cccnc3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2c1 ZINC000144513072 JK Annotated Anodyne COc1cc(OCc2cccc(-c3ccoc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144517286 JK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144517708 JK Annotated Anodyne Fc1cc2nc(NC3CC3)c(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)nc2cc1F ZINC000144533307 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)[C@@H]4CC=C(C)C(=O)O4)CC[C@@]23C)C[C@]12CCC(=O)O2 ZINC000144577351 JK Annotated Mild CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H](C(C)(C)O)/C(=C\CC(=O)O)CC4=CC[C@]23C)OC1=O ZINC000144577563 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)OC(C)(C)[C@@H]2CC4)OC1=O ZINC000144577767 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC3)C(=O)O ZINC000144593696 JK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@@](CC#N)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000144635773 JK Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000144636373 JK Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000144636583 JK Annotated Anodyne Fc1ccc(OC2CCN(c3nc4cc(Br)ccc4nc3NC3CC3)CC2)c(F)c1 ZINC000144657303 JK Annotated Anodyne Fc1ccc([C@@H](F)C2CCN(c3nc4cnc(Br)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000144692850 JK Annotated Anodyne COC1=C[C@]2(C)C(C)(C)[C@H](C[C@]2(C)CC(=O)C/C(C)=C/Cc2cc(OC)cc(C)c2OC)C(OC)=C1 ZINC000144705021 JK Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](O)C(C)(C)C)nc3)cc(-c3ccccn3)c2s1 ZINC000144718775 JK Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@H](O)C(C)(C)C)nc3)cc(-c3ccccn3)c2s1 ZINC000144718981 JK Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CCCCC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144731078 JK Annotated Anodyne CO[C@@H]1C(O)=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3[C@](C)(C=O)[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000144759947 JK Annotated Mild CO[C@@H]1C(O)=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)C[C@@H](O)[C@H]3[C@H](C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000144760390 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)c(CC=C(C)C)c2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000144776972 JK Annotated Mild C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000144777198 JK Annotated Mild CC(C)(C)C(=O)N1CCN(c2cc(-c3cccnc3)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000144785803 JK Annotated Anodyne CC(C)(C)C(=O)N1CCN(c2cc(-c3cccnc3)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000144786018 JK Annotated Anodyne N#Cc1ccc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000144794778 JK Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3cnn(C45CC6CC(CC(C6)C4)C5)c3)cccc21 ZINC000144876454 JK Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3cnn(C45CC6CC(CC(C6)C4)C5)c3)cccc21 ZINC000144876621 JK Annotated Anodyne OC12C[C@H]3C[C@@H](C1)CC(Cn1cc(-c4cccc5c4-c4ccccc4[C@]5(O)C(F)(F)F)cn1)(C3)C2 ZINC000144885369 JK Annotated Anodyne OC12C[C@H]3C[C@@H](C1)CC(Cn1cc(-c4cccc5c4-c4ccccc4[C@@]5(O)C(F)(F)F)cn1)(C3)C2 ZINC000144885571 JK Annotated Anodyne OC12C[C@@H]3C[C@@H](C1)CC(Cn1cc(-c4cccc5c4-c4ccccc4[C@]5(O)C(F)(F)F)cn1)(C3)C2 ZINC000144885789 JK Annotated Anodyne OC12C[C@@H]3C[C@@H](C1)CC(Cn1cc(-c4cccc5c4-c4ccccc4[C@@]5(O)C(F)(F)F)cn1)(C3)C2 ZINC000144885987 JK Annotated Anodyne CC(C)n1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144887928 JK Annotated Anodyne CC(C)n1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144888124 JK Annotated Anodyne CCc1nc2c(C)cc(C)nc2n1Cc1cccc(/C(=N\O)c2cccc(CN3CCCC3)c2)c1 ZINC000144957177 JK Annotated Mild COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@@H](C)CCC=C(C)C)cc12 ZINC000014543653 JK Annotated Anodyne COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@H](C)CCC=C(C)C)cc12 ZINC000014543655 JK Annotated Anodyne CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000014556877 JK Annotated Reactive CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000014556880 JK Annotated Reactive CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000014556883 JK Annotated Reactive CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000014556965 JK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(CO)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O ZINC000014556986 JK Annotated Reactive CCCC[C@@H](CC)COC(=O)Cc1ccc(O/C(=C2/C(=O)Nc3ccccc32)c2ccccc2)cc1 ZINC000014557384 JK Annotated Anodyne in-vitro CCCC[C@H](CC)COC(=O)Cc1ccc(O/C(=C2/C(=O)Nc3ccccc32)c2ccccc2)cc1 ZINC000014557387 JK Annotated Anodyne in-vitro O=C(CCc1ccccc1)c1c(O)c(Cc2ccccc2O)c(O)c2c1Oc1ccccc1C2 ZINC000014558323 JK Annotated Anodyne in-vitro biogenic CCCCCc1cc(OC)cc(OC)c1C(=O)Oc1c(O)cc(O)c(C(=O)O)c1CCCCC ZINC000014559065 JK Annotated Anodyne COc1ccc([C@H]2COc3cc4c(c(O)c3C2=O)C=C[C@](C)(CCC=C(C)C)O4)c(O)c1O ZINC000014559508 JK Annotated Clean COc1ccc([C@H]2COc3cc4c(c(O)c3C2=O)C=C[C@@](C)(CCC=C(C)C)O4)c(O)c1O ZINC000014559514 JK Annotated Clean in-vitro biogenic COc1c(O)c(OC)c(C(=O)[C@@H]2CC(CCC=C(C)C)=CC[C@H]2c2ccccc2)c(O)c1OC ZINC000014559728 JK Annotated Anodyne Oc1cc(O)cc(/C=C/c2cc(O)c3c(c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)O3)c1 ZINC000014584334 JK Annotated Clean CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000014584572 JK Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000014584575 JK Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@H]2C1=C[C@H](C(C)(C)O)CC[C@@H]2C ZINC000014584591 JK Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C=C2[C@H](C)CC[C@H](C(C)(C)O)[C@H]2CC1 ZINC000014584597 JK Annotated Anodyne C=C1CC[C@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12 ZINC000014584612 JK Annotated Mild in-man endogenous C=C(C)[C@@H](CC=C(C)C)Cc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2 ZINC000014585039 JK Annotated Mild CC[C@@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)c(O)c2c1OC(C)(C)C=C2 ZINC000014585780 JK Annotated Anodyne in-vitro CC[C@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)c(O)c2c1OC(C)(C)C=C2 ZINC000014585782 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c(C(=O)/C=C/c3ccc(O)cc3)c1O)OC(C)(C)C=C2 ZINC000014585787 JK Annotated Mild in-vitro biogenic CNC(=O)c1c(N(C)C=O)ncn1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C ZINC000014585803 JK Annotated Anodyne CC(=O)Oc1c(C(=O)CC(C)C)c(OC(C)=O)c2c(-c3ccccc3)cc(=O)oc2c1CC=C(C)C ZINC000014586149 JK Annotated Anodyne CCO[C@@H]1Cc2cccc(c2)Oc2c(O)cccc2CCc2ccc(cc2)Oc2cc1cc(O)c2O ZINC000014587006 JK Annotated Clean in-vitro biogenic CC(C)=CCC[C@@]1(C)OC2=C(C(=O)c3c(Br)c(O)cc(O)c3C2=O)[C@@H]2C=C(C)CC[C@@H]21 ZINC000014587183 JK Annotated Mild CC(C)=CCC[C@]1(C)OC2=C(C(=O)c3c(Br)c(O)cc(O)c3C2=O)[C@H]2C=C(C)CC[C@H]21 ZINC000014587184 JK Annotated Mild Cc1cc([C@@]2(C)CCCC2(C)C)c(O)c(O)c1-c1c(C)cc([C@@]2(C)CCCC2(C)C)c(O)c1O ZINC000014587376 JK Annotated Clean Cc1cc([C@@]2(C)CCCC2(C)C)c(O)c(O)c1Cc1cc(O)c(O)c([C@@]2(C)CCCC2(C)C)c1 ZINC000014587380 JK Annotated Clean CC1(C)CCC[C@]1(C)c1cc(CCc2cc(O)c(O)c([C@@]3(C)CCCC3(C)C)c2)cc(O)c1O ZINC000014587385 JK Annotated Clean COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(Cc3ccccc3)n2)n1)OC ZINC000014588193 JK Annotated Anodyne COc1c2cccc(C)c2c2c3c(coc13)[C@H](OCc1coc3c1C(=O)c1c(C)cccc1C3=O)OC2 ZINC000014589598 JK Annotated Clean C=CC(C)(C)OC(C)(C)[C@@H]1COc2ccc(/C=C/C(OC)=C(C)\C(=C/OC)C(=O)OC)cc2O1 ZINC000014589837 JK Annotated Mild C=CC(C)(C)OC(C)(C)[C@H]1COc2ccc(/C=C/C(OC)=C(C)\C(=C/OC)C(=O)OC)cc2O1 ZINC000014589838 JK Annotated Mild CC[C@H](C)CCCCCCCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1 ZINC000014592802 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1 ZINC000014592805 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)ccc2O1 ZINC000014592954 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014593771 JK Annotated Anodyne CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014593890 JK Annotated Anodyne Cc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1O[C@@]3(O)Oc1cc(O)ccc1-2 ZINC000014594788 JK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)ccc2cc(-c3cc(O)cc4c3C[C@H](C(C)(C)O)O4)oc12 ZINC000014610492 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/Cc1c(O)ccc2cc(-c3cc(O)cc4c3C[C@@H](C(C)(C)O)O4)oc12 ZINC000014610494 JK Annotated Anodyne in-vitro biogenic Cc1cc(-c2ccc(O)cc2O)c(O)c(-c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)c1 ZINC000014610508 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC1=C/C(=C(O)\C=C\c2ccc(O)cc2)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000014610797 JK Annotated Mild COc1cc(C)cc2c1[nH]c1c([C@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)cccc12 ZINC000014611022 JK Annotated Anodyne COc1cc(C)cc2c1[nH]c1ccc([C@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)cc12 ZINC000014611030 JK Annotated Anodyne COc1cc(C)cc2c3ccccc3n(Cc3cc4c([nH]c5ccccc54)c4c3OC(C)(C)C=C4)c12 ZINC000014611032 JK Annotated Anodyne COc1cc(C)c([C@H]2CC(C)(C)Oc3c(C)cc4c([nH]c5ccccc54)c32)c2c1[nH]c1ccccc12 ZINC000014611037 JK Annotated Anodyne COc1cc(C)cc2c3ccccc3n([C@H]3c4c(c(C)cc5c4[nH]c4ccccc45)OC(C)(C)[C@@H]3O)c12 ZINC000014611139 JK Annotated Anodyne COc1cc(C)cc2c3ccccc3n([C@@H]3c4c(c(C)cc5c4[nH]c4ccccc45)OC(C)(C)[C@H]3O)c12 ZINC000014611145 JK Annotated Anodyne COc1cc(C)cc2c3ccccc3n([C@@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)c12 ZINC000014611147 JK Annotated Anodyne COc1cc(C)cc2c3ccccc3n([C@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)c12 ZINC000014611149 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000014612078 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000014612079 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000014612080 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000014612081 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@@H](C)C(=O)CC=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000014612087 JK Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014612377 JK Annotated Reactive in-vitro C=C(C)[C@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014612378 JK Annotated Reactive in-vitro C=C(C)[C@@H](O)CC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014612379 JK Annotated Reactive in-vitro CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014612382 JK Annotated Reactive C/C1=C/C[C@@]23OC(C)(C)[C@@H](Cl)C[C@@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O ZINC000014612383 JK Annotated Reactive in-vitro CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1[C@@H](Cc1ccc(O)cc1)[N+](=O)[O-])OCO3 ZINC000014614188 JK Annotated Bother CCCCCc1c2c(cc(O)c1C(=O)OC)OC(=O)c1cc(C(=O)CCCC)c(O)cc1O2 ZINC000014615152 JK Annotated Anodyne CCCCCc1c2c(cc(O)c1C(=O)OC)OC(=O)c1cc(C(=O)CCCC)c(OC)cc1O2 ZINC000014615153 JK Annotated Anodyne COc1c(CC=C(C)C)c(-c2c[nH]c3ccccc23)c(OC)c(O)c1-c1c[nH]c2ccccc12 ZINC000014616127 JK Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000014616170 JK Annotated Anodyne CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]21C ZINC000014617841 JK Annotated Anodyne in-man endogenous CO[C@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]21C ZINC000014617842 JK Annotated Anodyne in-man endogenous CO[C@@H]1CC(C)(C)CC2=C3CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]21C ZINC000014617843 JK Annotated Anodyne in-man endogenous CO[C@H]1CC(C)(C)CC2=C3CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]21C ZINC000014617844 JK Annotated Anodyne in-man endogenous C/C=C(C)/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@H]2[C@@H]1C(=O)C1=C[C@@](O)(Cc2ccccc2)NC1=O ZINC000014618704 JK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]23)cc1 ZINC000014636222 JK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3[C@@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000014636224 JK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000014636228 JK Annotated Anodyne COc1cc2c(cc1OC)C1=Cc3ccc(OC)c(OC)c3[C@@H](C(Cl)(Cl)Cl)N1CC2 ZINC000014636440 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](C(C)C)Cc1cc3c(cc1-2)C(=O)[C@@](O)(C(C)C)c1cc(C)cc(O)c1-3 ZINC000014637593 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H](C(C)C)Cc1cc3c(cc1-2)C(=O)[C@@](O)(C(C)C)c1cc(C)cc(O)c1-3 ZINC000014637595 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](C(C)C)Cc1cc3c(cc1-2)C(=O)[C@](O)(C(C)C)c1cc(C)cc(O)c1-3 ZINC000014637596 JK Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)[C@](O)(C(C)C)c1cc3c(cc1-2)C[C@@H](C(C)C)c1cc(C)cc(O)c1-3 ZINC000014637600 JK Annotated Anodyne O=c1cc(CCCCCCCCCCCCc2ccc3c(c2)OCO3)oc2cccc(O)c12 ZINC000014649605 JK Annotated Anodyne in-vitro biogenic COc1c(OC)c(-c2c[nH]c3ccc(CC=C(C)C)cc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12 ZINC000014650138 JK Annotated Anodyne C#CC(=O)/C=C/CCCCCCC#CC(=O)CCC(=O)C#CCCCCCC/C=C/C(=O)C#C ZINC000014650235 JK Annotated Mild COc1ccc2ccc(=O)oc2c1/C=C/[C@]1(C)CCC(C)=C[C@@H]1c1c(OC)ccc2ccc(=O)oc12 ZINC000014650521 JK Annotated Anodyne COc1cc(/C=C/c2ccccc2O)c2c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)[C@H]2c1ccccc1 ZINC000014653798 JK Annotated Clean CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2 ZINC000014654293 JK Annotated Anodyne CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(OC)c(C(=O)O)c(CCCCC)c1O2 ZINC000014654296 JK Annotated Anodyne CCCCCC(=O)Cc1c(O)c(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2 ZINC000014654303 JK Annotated Clean CC(C)CCC[C@@H](CCC[C@@H](C)CCC[C@@H](C)CCOS(=O)(=O)O)COS(=O)(=O)O ZINC000014654375 JK Annotated Anodyne CC(C)CCC[C@H](CCC[C@@H](C)CCC[C@@H](C)CCOS(=O)(=O)O)COS(=O)(=O)O ZINC000014654378 JK Annotated Anodyne CC(C)CCC[C@@H](CCC[C@H](C)CCC[C@@H](C)CCOS(=O)(=O)O)COS(=O)(=O)O ZINC000014654381 JK Annotated Anodyne CC(C)CCC[C@H](CCC[C@H](C)CCC[C@@H](C)CCOS(=O)(=O)O)COS(=O)(=O)O ZINC000014654384 JK Annotated Anodyne COc1cccc2c1[nH]c1c([C@H]3CCCc4c5[nH]c6ccccc6c5c(OC)c[n+]43)ncc(OC)c12 ZINC000014655516 JK Annotated Anodyne COc1nc(C/C=C(\C)C/C(C)=C/C(C)=C/[C@@H](C)[C@@H](OC)[C@@]2(C)O[C@@H]2C(C)C)c(C)c(O)c1OC ZINC000014656135 JK Annotated Anodyne CC/C=C(\C)[C@@H](OC)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656167 JK Annotated Anodyne in-vitro CC/C=C(\C)[C@H](OC)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656170 JK Annotated Anodyne in-vitro CC/C=C(\C)[C@@H](OC)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656173 JK Annotated Anodyne in-vitro CC/C=C(\C)[C@H](OC)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656176 JK Annotated Anodyne in-vitro COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OCC=C(C)C)c(OC)c4)OC[C@@H]23)ccc1OCC=C(C)C ZINC000014657785 JK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc(OCC=C(C)C)c(OC)c4)OC[C@H]23)ccc1OCC=C(C)C ZINC000014657788 JK Annotated Anodyne COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OCC=C(C)C)c(OC)c4)OC[C@H]23)ccc1OCC=C(C)C ZINC000014657791 JK Annotated Anodyne COC(=O)c1ccc(O)c([C@@H](C=C(C)C)c2c(OC)cc(O)c(C(=O)CCc3ccccc3)c2O)c1 ZINC000014657797 JK Annotated Anodyne COC(=O)c1ccc(O)c([C@H](C=C(C)C)c2c(OC)cc(O)c(C(=O)CCc3ccccc3)c2O)c1 ZINC000014657803 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(/C=C/C(=O)c3ccc(O)c(CC=C(C)C)c3O)ccc(O)c2O1 ZINC000014676653 JK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(/C=C/C(=O)c3ccc(O)c(CC=C(C)C)c3O)ccc(O)c2O1 ZINC000014676655 JK Annotated Mild C=C(CCC=C(C)C)[C@H]1Cc2c(O)c(C(C)=O)c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c2O1 ZINC000014679151 JK Annotated Mild CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](CC=C(C)C)C2 ZINC000014679695 JK Annotated Anodyne CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](CC=C(C)C)C2 ZINC000014679697 JK Annotated Anodyne C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=C[C@](C)(CCC=C(C)C)O2 ZINC000014681540 JK Annotated Mild C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(OC)c(O)c4oc13)C=C[C@@](C)(CCC=C(C)C)O2 ZINC000014681541 JK Annotated Mild C/C(C[C@H]1CC(C)(C)Oc2c1c(=O)n(C)c1ccccc21)=C1/Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014682486 JK Annotated Anodyne C=CC(C)(C)Oc1c(OC)cc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1OC ZINC000014683370 JK Annotated Mild CCCCCc1cc(OC)c(OC(=O)c2c(CCC)cc(OC)cc2OC)c(O)c1C(=O)O ZINC000014685112 JK Annotated Anodyne Oc1ccc(C2=Cc3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000014685480 JK Annotated Anodyne COc1cc(C(=O)OCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)c(O)c2ccccc12 ZINC000014686389 JK Annotated Mild in-vitro biogenic COc1cc(C(=O)OCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000014686391 JK Annotated Mild in-vitro biogenic C/C(=C\Cc1ccccc1)CCC(=O)/C=C/C[C@H](O)C/C(C)=C/C/C=C/C/C(=C\C(=O)O)CC(=O)O ZINC000014687394 JK Annotated Mild COc1c(Oc2c(Cl)cc(O)cc2Cl)cc(O)cc1Oc1c(Cl)cc(O)cc1Cl ZINC000014688983 JK Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H]1C ZINC000014690436 JK Annotated Anodyne in-man CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H]1C ZINC000014690438 JK Annotated Anodyne in-man CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H]1C ZINC000014690440 JK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)C=Cc2c(ccc(-c3oc4cc(O)cc(O)c4c(=O)c3CC=C(C)C)c2O)O1 ZINC000014690587 JK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(-c3oc4cc(O)cc(O)c4c(=O)c3CC=C(C)C)c2O)O1 ZINC000014690589 JK Annotated Anodyne in-vitro biogenic COC(=O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CCN(CCc2ccccc2)C1=O ZINC000014691292 JK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)C(=O)CC=C(C)C)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691502 JK Annotated Mild CC(=O)O[C@H](/C=C(\C)CCC[C@H](C)C(=O)CC=C(C)C)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691516 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@@]3(C)[C@@H]4C[C@@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000014694633 JK Annotated Mild in-man C=C(C)[C@H]1CCC2=C(CC[C@@]3(C)[C@@H]4C[C@@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000014694635 JK Annotated Mild in-man C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000014694637 JK Annotated Mild in-man C=C(C)[C@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@@](C)(C(=O)O)CC[C@@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000014694638 JK Annotated Mild in-man CO[C@@H]1CC[C@]2(C)[C@H]3CCC4=C(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000014696334 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CCC4=C(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000014696336 JK Annotated Anodyne COc1cc(O)c2c(c1)CCc1cc(Oc3c(O)cc(CCc4cccc(O)c4)cc3OC)ccc1-2 ZINC000014697269 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN([C@H](CC(C)C)C(=O)O)C3=O)C[C@@H]1O ZINC000014710482 JK Annotated Anodyne COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1cc2c(cc1O)O[C@H](c1ccc(O)cc1)CC2 ZINC000014710610 JK Annotated Anodyne CC1(C)CC[C@H]([C@@H](C(=O)O)[C@@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@@]5(C)C4=CC[C@@]23C)O1 ZINC000014714633 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCc1cn(CCCN)c[n+]1C ZINC000014715157 JK Annotated Anodyne C=C(CC(C)(C)C(=O)Oc1cc(C=O)c(OC)cc1OC)c1cc2cc(OC)c(OC)cc2o1 ZINC000014715459 JK Annotated Mild CCCCCc1cc(OC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CCC)cc(OC)c1C(=O)O ZINC000014715485 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@@H]1CC=C2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000014716729 JK Annotated Anodyne C=CC(C)(C)c1cc(O)c2oc3c(O)c4c(c(CCC(C)(C)O)c3c(=O)c2c1O)CCC(C)(C)O4 ZINC000014718267 JK Annotated Mild O=C(CCCCCCCCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CC[C@@H](O)C1=O ZINC000014718782 JK Annotated Mild O=C(CCCCCCCCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CC[C@H](O)C1=O ZINC000014718784 JK Annotated Mild in-vitro biogenic COc1cc2c(c3ccccc13)OC(C)(C)C[C@H]2Oc1cc2c(cc1C)C(=O)c1ccccc1C2=O ZINC000014719333 JK Annotated Clean COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@@]3(C)CCC[C@@]3(C)C(=O)C[C@@H](C(C)(C)O)O2)c1 ZINC000014719850 JK Annotated Anodyne CC1(C)CCc2c(-c3c4c(c5ccccc5c3O)OC(C)(C)CC4)c(O)c3ccccc3c2O1 ZINC000014721360 JK Annotated Anodyne CCCC(=O)Oc1c(OC(=O)CCC)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000014721716 JK Annotated Clean in-vitro biogenic COc1cc(Br)c(-c2c[nH]c3ccc(Br)cc23)c2c(Br)c[nH]c12 ZINC000014721996 JK Annotated Anodyne COc1cc(Br)c(-c2c(Br)[nH]c3ccc(Br)cc23)c2cc[nH]c12 ZINC000014721998 JK Annotated Anodyne COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)OC)c3c(=O)c2c(O)c1CC=C(C)C ZINC000014727635 JK Annotated Bother COCCn1c(C(=O)OC)c(NC(=O)Cc2ccccc2)c2cc(NC3CCCCCCC3)cnc21 ZINC000014747521 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC/C=C\C#CCCCCCCCCCC#CC#CC#CCO ZINC000014765206 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\C#CCCCCCCCCCC#CC#CC#CCO ZINC000014765208 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCCCC#CCCCCCCCCCCC#CC#CCO ZINC000014765223 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCCC#CCCCCCCCCCCC#CC#CCO ZINC000014765225 JK Annotated Mild Oc1cc(O)cc(/C=C/c2cc(O)c(O)cc2-c2c(O)cc(O)cc2/C=C/c2ccc(O)c(O)c2)c1 ZINC000014767024 JK Annotated Clean CC(C)=CCc1cc(/C=C/C(=O)c2ccc3c(c2O)CCC(C)(C)O3)cc2c1OC(C)(C)C=C2 ZINC000014768164 JK Annotated Mild in-vitro biogenic O=C(c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1)c1c[nH]c2cc(Br)ccc12 ZINC000014768218 JK Annotated Anodyne O=C(C1=N[C@H](c2c[nH]c3cc(Br)ccc23)CN1)c1c[nH]c2cc(Br)ccc12 ZINC000014768221 JK Annotated Anodyne O=C(C1=N[C@@H](c2c[nH]c3cc(Br)ccc23)CN1)c1c[nH]c2cc(Br)ccc12 ZINC000014768223 JK Annotated Anodyne C=C(C)CC[C@H](Cc1c(O)c(C(=O)c2cccc(O)c2)c(O)c(/C=C/C(C)C)c1OC)C(=C)C ZINC000014768707 JK Annotated Mild C=C(C)CC[C@H](Cc1c(O)c(C(=O)c2cccc(O)c2)c2c(c1OC)C[C@@H](O)C(C)(C)O2)C(=C)C ZINC000014768719 JK Annotated Mild C=C(C)CC[C@H](Cc1c(O)c(C(=O)c2cccc(O)c2)c2c(c1OC)C[C@@H](C(C)(C)O)O2)C(=C)C ZINC000014768729 JK Annotated Mild OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014769177 JK Annotated Anodyne C#C[C@H](O)CCCCCCCCC#CC(=O)CCC(=O)C#CCCCCCCCC[C@@H](O)C#C ZINC000014769215 JK Annotated Mild CSc1c(Br)[nH]c2cc(Br)c(Br)c(Br)c12 ZINC000014769657 JK Annotated Anodyne Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000014770805 JK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCC#C/C=C/CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000014823856 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C/CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000014823894 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@]1(C)OC(C)(C)[C@@H](O)CC1=O ZINC000014826772 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@]1(C)OC(C)(C)C=CC1=O ZINC000014826782 JK Annotated Mild O=C1c2ccccc2N(Cc2ccccc2O)C1(Cc1ccccc1O)Cc1ccccc1O ZINC000014826900 JK Annotated Clean Oc1cc(O)cc(/C=C/c2cc3c(cc2O)O[C@H](c2ccc(O)c(O)c2)[C@H]3c2cc(O)cc(O)c2)c1 ZINC000014829490 JK Annotated Clean Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000014829495 JK Annotated Anodyne in-man biogenic Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000014829497 JK Annotated Anodyne in-man biogenic Oc1ccc(/C=C\c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000014829499 JK Annotated Anodyne in-man biogenic Oc1ccc(/C=C\c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000014829501 JK Annotated Anodyne in-man Oc1ccc(/C=C\c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)O3)cc1 ZINC000014829508 JK Annotated Anodyne in-vitro biogenic C/C=C/CCc1c(C)cc2c(C)c(Cc3c4c(c(O)c5occ(C)c35)CCC[C@H]4C)oc2c1O ZINC000014829697 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O ZINC000014855332 JK Annotated Anodyne in-vitro biogenic COc1cc(C)c(OC)c(C/C=C(\C)CC(=O)C[C@@]2(C)CCC[C@@]2(C)C(=O)CCC(C)(C)O)c1 ZINC000014859713 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@H](O)C[C@@H]2OC2(C)C)c1 ZINC000014887973 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)C[C@@H]2OC2(C)C)c1 ZINC000014887979 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)C(=O)/C=C/C(C)(C)O)c1 ZINC000014887991 JK Annotated Mild COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1 ZINC000014887997 JK Annotated Mild CCC[C@@H](CC(=O)O)C1=C2O[C@H](C)[C@@H](C)C(=O)C2=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000014919201 JK Annotated Mild in-vitro biogenic CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000014920435 JK Annotated Anodyne in-man CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@]2(C)[C@@H]3C[C@@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000014921571 JK Annotated Mild C[C@H]1CCCC(C)(C)[C@H]2C=C(CO)CC[C@@]12O[C@@]12CCC(CO)=C[C@@H]1C(C)(C)CCC[C@@H]2C ZINC000014923181 JK Annotated Anodyne C=C[C@H]1CN2CCc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccc(OC)cc12 ZINC000014926855 JK Annotated Mild S=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccc4ccccc4c3)nc2-c2ccccc2N1 ZINC000014945854 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)o2)cc1Cl ZINC000014946052 JK Annotated Clean O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCC3CCCCC3)ccc12 ZINC000014946809 JK Annotated Anodyne CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCCCCCCC[N+](C)(C)C)ccc(c23)C1 ZINC000014947233 JK Annotated Bother CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCCCCCCCCC[N+](C)(C)C)ccc(c23)C1 ZINC000014947234 JK Annotated Bother O=C1CC[C@@H](CC/C(=C\C[C@H](C(=O)O)N2CCOCC2)OCc2ccc(-c3ccccc3)cc2)C1 ZINC000014951556 JK Annotated Anodyne O=C1CC[C@@H](CC/C(=C\C[C@@H](C(=O)O)N2CCOCC2)OCc2ccc(-c3ccccc3)cc2)C1 ZINC000014951568 JK Annotated Anodyne O=C(O)CC/C=C\CC[C@H]1[C@H](N2CCCCC2)[C@@H](O)C[C@H]1OCc1ccc(-c2ccccc2)cc1 ZINC000014951794 JK Annotated Anodyne in-vitro CC(=O)O[C@H](C[C@]1(C)[C@H](C)C(=O)CC[C@H]1C)/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O ZINC000014957961 JK Annotated Anodyne N#Cc1cnc(-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)c(-c2ccccc2)c1 ZINC000014957966 JK Annotated Mild Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3cccc(OC(F)(F)F)c3)ccc21 ZINC000014958482 JK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000014959458 JK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000014959462 JK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014959474 JK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014959478 JK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000014959488 JK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000014959492 JK Annotated Anodyne CCCN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959619 JK Annotated Anodyne O=C(NC1CCN(C2CC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959632 JK Annotated Anodyne CC(C)NC1CCN(C(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959645 JK Annotated Anodyne CC(C)N1CC[C@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959678 JK Annotated Anodyne CC(C)N1CC[C@@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959682 JK Annotated Anodyne CC(C)CN1CC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959691 JK Annotated Anodyne CC(C)N1CC(CNC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959696 JK Annotated Anodyne O=C(NC1CN(c2ccncc2)C1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959724 JK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc3ccc(Cl)cc3s2)CC1 ZINC000014959758 JK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)no2)CC1 ZINC000014959778 JK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1 ZINC000014959787 JK Annotated Anodyne COc1cc(-c2nnc(Cc3ccc(CCC(=O)O)cc3)o2)ccc1NC(=O)Nc1ccccc1C ZINC000014963393 JK Annotated Anodyne CN1C(C)(C)CC(Nc2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)CC1(C)C ZINC000014964504 JK Annotated Anodyne CCN(CC)CCC/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964846 JK Annotated Anodyne CCN(CC)CCC/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964923 JK Annotated Anodyne CCN(CC)CCCCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964938 JK Annotated Anodyne C[C@H](N)[C@@H](O)CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO ZINC000014965951 JK Annotated Anodyne C[C@@H](N)[C@H](O)CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO ZINC000014965955 JK Annotated Anodyne C[C@@H](N)[C@H](O)CCCCCCCCCCCCCCC(=O)CCCCCCC[C@@H](O)[C@@H](N)CO ZINC000014965971 JK Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)O[C@]1(C)C[C@H]3[C@@H]2[C@@H](C1)c1c(c3c(C)cccc3oc1=O)OC2(C)C ZINC000014966151 JK Annotated Anodyne in-vitro biogenic C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000014968621 JK Annotated Mild CC(C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969862 JK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C(C)(C)C)OC[C@]54C)C[C@H]3C(=O)C[C@]12C)N(C)C ZINC000014969893 JK Annotated Anodyne CC[C@H](C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969897 JK Annotated Anodyne CC[C@@H](C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969900 JK Annotated Anodyne CC(C)C1=N[C@H]2CC[C@H]3C=C4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969926 JK Annotated Mild CC[C@H](C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CN1 ZINC000014969963 JK Annotated Anodyne COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 ZINC000014971603 JK Annotated Anodyne C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 ZINC000014971614 JK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(C)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC ZINC000014972826 JK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(C)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC ZINC000014972831 JK Annotated Anodyne COc1ccccc1[C@@H]1SC(c2ccc(Cl)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972835 JK Annotated Anodyne COc1ccccc1[C@H]1SC(c2ccc(Cl)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972839 JK Annotated Anodyne COc1cc(F)ccc1[C@@H]1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972843 JK Annotated Anodyne COc1cc(F)ccc1[C@H]1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972847 JK Annotated Anodyne O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(F)cc2)S[C@H]1c1ccccc1OC(F)F ZINC000014972850 JK Annotated Anodyne O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(F)cc2)S[C@@H]1c1ccccc1OC(F)F ZINC000014972855 JK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(F)cc2F)c1OC ZINC000014972875 JK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(F)cc2F)c1OC ZINC000014972879 JK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(F)c(F)c3)=NN2C(=O)c2cccc(F)c2)c1OC ZINC000014972882 JK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(F)c(F)c3)=NN2C(=O)c2cccc(F)c2)c1OC ZINC000014972886 JK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)cc(F)c2)c1OC ZINC000014972890 JK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)cc(F)c2)c1OC ZINC000014972895 JK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)ccc2C)c1OC ZINC000014972899 JK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)ccc2C)c1OC ZINC000014972903 JK Annotated Anodyne COc1cc(F)c(C(=O)N2N=C(c3ccc(F)cc3)S[C@@H]2c2cccc(OC)c2OC)c(F)c1 ZINC000014972907 JK Annotated Anodyne COc1cc(F)c(C(=O)N2N=C(c3ccc(F)cc3)S[C@H]2c2cccc(OC)c2OC)c(F)c1 ZINC000014972911 JK Annotated Anodyne CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1 ZINC000014977306 JK Annotated Anodyne N#Cc1cnc2c(Br)cc(NCc3cn[nH]n3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000014977435 JK Annotated Mild CCC(CC)CN1CCC(O)(c2ccc3oc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2)CC1 ZINC000014978138 JK Annotated Anodyne COc1ccc(NC(=O)c2cc3cc(C4(O)CCN(C[C@H]5CC=CCC5)CC4)ccc3o2)cc1 ZINC000014980783 JK Annotated Anodyne COc1ccc(NC(=O)c2cc3cc(C4(O)CCN(C[C@@H]5CC=CCC5)CC4)ccc3o2)cc1 ZINC000014980785 JK Annotated Anodyne O=C(C1CC1)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000014986263 JK Annotated Anodyne COc1cccc(OC)c1CN1CCC([C@@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000014994504 JK Annotated Anodyne COc1cccc(OC)c1CN1CCC([C@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000014994505 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cn1)c1ccc(-c2ccc(COC)cc2)cc1 ZINC000145033592 JK Annotated Anodyne CCN1/C(=C\C=C/c2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21 ZINC000145043187 JK Annotated Anodyne COC[C@@H]1C[C@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@@H]1c1nccs1 ZINC000145059220 JK Annotated Anodyne COC[C@@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@@H]1c1nccs1 ZINC000145059604 JK Annotated Anodyne COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O ZINC000145103186 JK Annotated Reactive CCC[C@@H](C)COc1ccc([C@H](CNC[C@@H]2CCOC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145229791 JK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC[C@@H]2CCOC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145229977 JK Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC[C@H]2CCOC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145230177 JK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC[C@H]2CCOC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145230376 JK Annotated Anodyne CC[C@H]1O[C@H]2C[C@@H](Cl)[C@@H](Cl)C[C@H](C=C=CBr)O[C@H]2C[C@@H]1Br ZINC000145298124 JK Annotated Reactive CC1(C)C[C@]2(CC[C@@H]1Br)O[C@@H]2[C@@H]1CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]12 ZINC000145317907 JK Annotated Reactive C[C@@H]1CN2CCC[C@@H]3CCCCC[C@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCC[C@@H](C1=O)[C@H]32)[C@@H]45 ZINC000145352687 JK Annotated Anodyne O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1 ZINC000145367568 JK Annotated Anodyne COC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)/C=C/C[C@H](C)C(Cl)(Cl)Cl ZINC000145408478 JK Annotated Anodyne NC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(-c4cnc5ccccc5c4)cccc23)cc1N ZINC000145451879 JK Annotated Anodyne COC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(C)(C)C ZINC000145459467 JK Annotated Anodyne COC(=O)C1(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CCCC1 ZINC000145462288 JK Annotated Anodyne CCn1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)c(C)n1 ZINC000145464842 JK Annotated Anodyne CCn1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)c(C)n1 ZINC000145465053 JK Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CC[C@]2(CCCNC2)C1 ZINC000145465282 JK Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CC[C@@]2(CCCNC2)C1 ZINC000145465491 JK Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145471195 JK Annotated Anodyne CC(C)C[C@@](C)(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145475737 JK Annotated Anodyne CC(C)C[C@](C)(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145475945 JK Annotated Anodyne COC(=O)[C@@](C)(CC(C)C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145480822 JK Annotated Anodyne COC(=O)[C@](C)(CC(C)C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145481027 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1)c1cccnc1 ZINC000145482150 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1)c1cccnc1 ZINC000145482338 JK Annotated Anodyne N#Cc1ccc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000145483413 JK Annotated Mild N#Cc1ccc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000145483621 JK Annotated Mild NC(=O)c1ccc(-c2cccc3c(-c4cnc5ccccc5c4)ncnc23)cc1NC1CCC(O)CC1 ZINC000145483702 JK Annotated Anodyne O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145488638 JK Annotated Anodyne O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145488825 JK Annotated Anodyne Cc1noc(C)c1CC(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145492493 JK Annotated Anodyne Cc1noc(C)c1CC(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145492709 JK Annotated Anodyne CCc1cc(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 ZINC000145499183 JK Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cnc5[nH]ccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145501078 JK Annotated Anodyne CC(C)C[C@@H](CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145503385 JK Annotated Anodyne CC(C)C[C@H](CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145503559 JK Annotated Anodyne NC(=O)c1ccc(-c2ccnc3c(-c4cnc5ccccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145523276 JK Annotated Anodyne O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1 ZINC000145523830 JK Annotated Anodyne O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1 ZINC000145524018 JK Annotated Anodyne NC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5ccccc5)c4)cccc23)cc1N ZINC000145525439 JK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5cn6ccsc6n5)s4)ccc3O2)cc1 ZINC000145530105 JK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5cn6ccsc6n5)s4)ccc3O2)cc1 ZINC000145530313 JK Annotated Anodyne Cc1noc(C)c1CCCNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145530545 JK Annotated Anodyne Cc1noc(C)c1CCCNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145530748 JK Annotated Anodyne O=C(NC1(C(=O)O)CCCC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145534830 JK Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(Cl)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145539558 JK Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cnc5cc[nH]c5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145540179 JK Annotated Anodyne Cc1cc(C)n(CCNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000145547249 JK Annotated Anodyne Cc1cc(C)n(CCNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000145547466 JK Annotated Anodyne Cc1c([C@@H](C)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000145547713 JK Annotated Anodyne Cc1c([C@H](C)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000145547869 JK Annotated Anodyne Cc1c([C@@H](C)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000145548165 JK Annotated Anodyne Cc1c([C@H](C)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000145548369 JK Annotated Anodyne Cc1ccc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145551028 JK Annotated Anodyne CC(C)(C)Nc1cc(-c2ccnc3c(-n4cnc(-c5cccnc5)c4)cccc23)ccc1C(N)=O ZINC000145552660 JK Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145553199 JK Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145553404 JK Annotated Anodyne Cc1cc2c(-n3cnc(-c4cnn(C)c4)c3)cccc2c(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)n1 ZINC000145560085 JK Annotated Anodyne NC(=O)c1ccc(-c2cccc3c(-c4cnc5ccccc5c4)nccc23)cc1NC1CCC(O)CC1 ZINC000145560303 JK Annotated Anodyne Cc1noc(C)c1CCC(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145564006 JK Annotated Anodyne Cc1noc(C)c1CCC(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145564197 JK Annotated Anodyne O=C(Cc1cccnc1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145564450 JK Annotated Anodyne O=C(Cc1cccnc1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145564594 JK Annotated Anodyne CN[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC[C@H]1C ZINC000145565218 JK Annotated Anodyne COC(=O)[C@@]1(C)CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 ZINC000145569540 JK Annotated Anodyne COC(=O)[C@]1(C)CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 ZINC000145569749 JK Annotated Anodyne O=C(Cc1ccccn1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145571206 JK Annotated Anodyne O=C(Cc1ccccn1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145571426 JK Annotated Anodyne Cc1ccc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)cc5C)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145572956 JK Annotated Anodyne COC(=O)[C@@H]1CC(C)(C)CN1C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145573539 JK Annotated Anodyne Cc1ccc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)cc(C(C)C)nc34)cn2)cn1 ZINC000145585478 JK Annotated Anodyne C1=C(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)N2CCCN=C2S1 ZINC000145587853 JK Annotated Anodyne C1=C(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)N2CCCN=C2S1 ZINC000145588088 JK Annotated Anodyne CC1(C)C[C@@H](C(=O)O)N(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 ZINC000145597804 JK Annotated Anodyne Cc1cc(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 ZINC000145599857 JK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5nnc6ccccn56)s4)ccc3O2)cc1 ZINC000145606518 JK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5nnc6ccccn56)s4)ccc3O2)cc1 ZINC000145606726 JK Annotated Anodyne Cc1cc(C)nc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000145665679 JK Annotated Anodyne Cc1cc(C)nc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000145665870 JK Annotated Anodyne C=C1CC[C@@](C)([C@H](C)CC(=O)/C=C(/C)C(=O)OC)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000145726227 JK Annotated Mild O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)cc1O ZINC000145770965 JK Annotated Anodyne O=C(C[C@H](C(=O)O)C1CCCCC1)Nc1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2n1 ZINC000145824244 JK Annotated Anodyne in-vitro C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(CO)[C@H]3[C@H](O)C[C@@]21C ZINC000145828798 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(CO)[C@H]3[C@H](O)C[C@]12C ZINC000145829001 JK Annotated Anodyne C1=C2CCCCCCCCCCCN3CCC=C(CCCCCCCCCCCN(CC1)C2)C3 ZINC000145847273 JK Annotated Anodyne C/C(=C\C[C@@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)C(Br)Br ZINC000145867107 JK Annotated Reactive CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000145932015 JK Annotated Clean CCc1cc(C(=O)NC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145969855 JK Annotated Anodyne CCc1cc(C(=O)NOC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145970058 JK Annotated Anodyne C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1 ZINC000145987212 JK Annotated Mild C[C@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1 ZINC000145987438 JK Annotated Mild C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1 ZINC000145987671 JK Annotated Mild C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(-c4ccnnc4)c3C#N)c(Cl)c2)CC(C)(C)N1 ZINC000145987877 JK Annotated Mild O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000146057151 JK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cccc(O)c3)C4)n[nH]c2c1 ZINC000146075172 JK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3ccc(O)cc3)C4)n[nH]c2c1 ZINC000146077140 JK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cccc(OC)c3)C4)n[nH]c2c1 ZINC000146093940 JK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(F)cc3)C4)n[nH]c2c1 ZINC000146097185 JK Annotated Anodyne CCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1cccc(C(F)(F)F)c1 ZINC000146123583 JK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3ccccc3)CC4)n[nH]c2c1 ZINC000146140551 JK Annotated Anodyne CCC(=O)C(CC/C=C/CCc1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)CC ZINC000146157403 JK Annotated Anodyne CC(C)(C)n1c(-c2ccccc2C(=O)Nc2cccnc2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000146183760 JK Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@H](N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2)CC1 ZINC000146245539 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000146284130 JK Annotated Anodyne N#Cc1ccc(/C(=C(\c2ccc(/C=C/C(=O)O)cc2)c2ccc3[nH]nc(F)c3c2)C2CCC2)c(Cl)c1 ZINC000146344665 JK Annotated Anodyne COC(=O)c1cccc2oc(-c3cccc(OC)c3NC(=O)c3cc(-c4ccccc4)on3)nc12 ZINC000146362355 JK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccnc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146371311 JK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(Cl)ccc2C)CC3)[C@H](C)C1 ZINC000146378627 JK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146387354 JK Annotated Anodyne CC(C)(C)n1c(-c2ccccc2C(=O)Nc2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000146387940 JK Annotated Anodyne COc1ccc(C)c(N2CCc3nc(-c4c(C)cccc4C)nc(N4CC[C@@H](OC)C[C@H]4C)c3C2)c1 ZINC000146409378 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC[C@@H]3C)c2C1 ZINC000146446766 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC[C@H]3C)c2C1 ZINC000146447343 JK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)nn2C)CC3)[C@H](C)C1 ZINC000146449329 JK Annotated Anodyne COCCN(C)c1cc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000146450914 JK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3cc(C)ccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146457825 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCC[C@@H]3CO)c2C1 ZINC000146485110 JK Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cc(C4=CCCCO4)ccn3)c2)ccc1OC1CCOCC1 ZINC000146511513 JK Annotated Anodyne CC1(C)O[C@@H]1CC[C@@]1(C)C=C(/C=C/C=C/C2=C[C@](C)(CC[C@H]3OC3(C)C)[C@H](O)CC2)CC[C@H]1O ZINC000146551398 JK Annotated Anodyne O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146559922 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C)(C)[C@@H]4CC[C@@](C)(O)[C@@H]4C[C@@H]4O[C@@]43C)[C@@]2(C)CCC1=O ZINC000146602328 JK Annotated Anodyne C=C1C(=O)C[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000146602538 JK Annotated Mild CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000146602715 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(I)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146608085 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)[C@@H](C)O)c(C)c1Cl ZINC000146637159 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)CCC)cc3)o2)[C@@H](C)O)c(C)c1Cl ZINC000146639594 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(C)=O)cc3)o2)[C@H](C)OC(C)=O)c(C)c1Cl ZINC000146641000 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146641421 JK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl ZINC000146645902 JK Annotated Anodyne CC1=C2[C@@H](C(=O)[C@H](C)C3=C[C@]4(C)[C@@H](C)CCC[C@@H]4CC3=O)[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@]2(O)OC1=O ZINC000146729603 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1CC2=C(O1)[C@@](CC=C(C)C)(C(=O)C(C)C)C(=O)[C@@](C)(CC=C(C)C)C2=O ZINC000146765068 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1CC2=C(O1)[C@](C)(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C)C)C2=O ZINC000146765869 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]45C(=O)O[C@@H](C[C@@]6(C)CCC(C)(C)C[C@H]64)[C@]5(C)[C@H]3CC[C@@]21C ZINC000146845742 JK Annotated Anodyne COC(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cn1 ZINC000146881400 JK Annotated Anodyne CCOc1cccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000146925328 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CC4(COC4)C3)c2C1 ZINC000146925592 JK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc6cn[nH]c6c5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000146928313 JK Annotated Anodyne Cc1cccc(C)c1-c1nc2c(c(N3CCCC(C)(C)C3)n1)CN(c1cc(C(C)C)nn1C)CC2 ZINC000146932657 JK Annotated Anodyne CNCCOc1nc(-c2c(C)ccc3[nH]nc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000146935201 JK Annotated Anodyne Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1c(Cl)c(C3CC3)nn1C)CC2 ZINC000146940037 JK Annotated Anodyne COc1nc(-c2c(C)ccc3[nH]nc(Cl)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000146940460 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CC(N(C)C)C3)c2C1 ZINC000146941881 JK Annotated Anodyne CCOC(=O)c1cncc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1 ZINC000146949351 JK Annotated Anodyne COCCN(C)c1cc(-c2c(C)cccc2C)nc2c1C(=O)N(c1cc(C(C)C)ccc1C)CC2 ZINC000146957511 JK Annotated Anodyne O=c1[nH]c2ccc(-c3ccc4c(c3)CN3CCC4(c4ccc(Cl)c(Cl)c4)CC3)cc2o1 ZINC000146957622 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N[C@@H](CO)C(C)C)c2C1 ZINC000146973536 JK Annotated Anodyne Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(F)c(CO)c1 ZINC000146987281 JK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc(F)c(CO)c5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000146989204 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(OCC(F)F)c2C1 ZINC000146992060 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(C(F)(F)F)s4)ccn23)c1 ZINC000146998245 JK Annotated Anodyne Cc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nnc1Cl ZINC000147003702 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CC(O)C3)c2C1 ZINC000147008124 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3)CCCO4)c2C)cc1C ZINC000147014239 JK Annotated Anodyne C=C1CC[C@H](Br)C(C)(C)[C@@H]1/C=C/[C@@](C)(O)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 ZINC000147040862 JK Annotated Reactive CC1(C)C/C(=C/[C@@H]2[C@@H](O)C[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br ZINC000147041423 JK Annotated Reactive CC1(C)C[C@@](O)(C[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br ZINC000147042799 JK Annotated Reactive CC(C)(C)c1ccc([C@H](O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000147087438 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000147087617 JK Annotated Anodyne Cc1ccc2[nH]c(CCNC(=O)c3cccnc3Oc3ccc(Nc4ccccn4)cc3)cc2c1 ZINC000147144392 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC/C=C(\C)[C@H](O)C[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000147175905 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCCCC5)nn4)ccn23)c1 ZINC000147211621 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCCCC5)nc4)ccn23)c1 ZINC000147370873 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C(=O)[C@H]([C@@H]3CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]3(C)CCO)CC=C2C1 ZINC000147379518 JK Annotated Anodyne C=C(C[C@H](O)[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](OC(C)=O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000147394161 JK Annotated Mild O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1 ZINC000147490394 JK Annotated Reactive Cc1cc(O)cc(O)c1-c1c(N)cc2oc3cc(=N)c(-c4c(C)cc(O)cc4O)c(C)c-3nc2c1C ZINC000147573880 JK Annotated Anodyne in-vitro CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCN1CCCC1 ZINC000147584197 JK Annotated Anodyne O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CC(Oc2ccc(Cl)cc2)C1 ZINC000147598370 JK Annotated Anodyne Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O ZINC000147681384 JK Annotated Mild CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCn1ccnc1 ZINC000147685138 JK Annotated Anodyne Cc1cc(C(F)(F)F)cc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000147751328 JK Annotated Anodyne CC(C)[C@@H](CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccn1 ZINC000147754321 JK Annotated Anodyne CC(C)[C@H](CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccn1 ZINC000147754495 JK Annotated Anodyne O=C(O)c1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1 ZINC000147769348 JK Annotated Anodyne Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O ZINC000147786465 JK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000147807670 JK Annotated Reactive Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2ccc3ccccc3c2)nc2ccccc2c1=O ZINC000147821835 JK Annotated Mild Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(C#Cc2ccccc2)cc1C ZINC000147836805 JK Annotated Mild COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccccc3)cc2C)cc1 ZINC000147854228 JK Annotated Mild Nc1nnc(-c2nc(C3CCCCC3)n(-c3cccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1 ZINC000147870279 JK Annotated Anodyne Cc1nc(NC(=O)c2cc(CNC(=O)C(C)C)cnc2C(F)F)[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000147940527 JK Annotated Anodyne in-vitro C#CCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000147957914 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]34C[C@]23CC[C@@H]2[C@@H]3[C@@H](C)[C@@](C)(O)CC[C@]3(C)CC[C@]24C)C1(C)C ZINC000147971244 JK Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000147974587 JK Annotated Mild COc1cc(OC)cc(-c2c[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)n2)c1 ZINC000148023081 JK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(C3(c4ccccc4)CC3)o2)C1=O ZINC000148024148 JK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(Cc3ccccc3)[nH]2)C1=O ZINC000148027465 JK Annotated Anodyne COC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1 ZINC000148091230 JK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(O)cc2)n2ccc(Cl)cc12 ZINC000148122757 JK Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)nc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148175032 JK Annotated Anodyne Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CCCC3)nc12 ZINC000148223493 JK Annotated Anodyne Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc12 ZINC000148228665 JK Annotated Anodyne COc1ccccc1CC(=N)N1C[C@@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000148459835 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cc(F)c(F)cc1F ZINC000148598071 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1c(F)cc(F)cc1F ZINC000148598295 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1c(F)cccc1F ZINC000148599787 JK Annotated Anodyne CCOc1ccccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148600663 JK Annotated Anodyne CCOc1ccccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148600901 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccc(F)cc1 ZINC000148602167 JK Annotated Anodyne Cc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000148613626 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000148617470 JK Annotated Anodyne CCc1ccccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148621323 JK Annotated Anodyne C[C@@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148767563 JK Annotated Anodyne C[C@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148767783 JK Annotated Anodyne C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148767984 JK Annotated Anodyne C[C@H](c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3)[C@H](C)CCCc1ccc(F)cc1 ZINC000148768206 JK Annotated Anodyne C[C@@H](CCCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148772556 JK Annotated Anodyne C[C@H](CCCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148772778 JK Annotated Anodyne C[C@@H](CCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148773924 JK Annotated Anodyne C[C@H](CCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148774132 JK Annotated Anodyne C[C@@H](CCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148774309 JK Annotated Anodyne C[C@H](c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3)[C@H](C)CCc1ccc(F)cc1 ZINC000148774488 JK Annotated Anodyne CC[C@@H](CNCc1ccccc1)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148777358 JK Annotated Anodyne C[C@@H](CCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148777419 JK Annotated Anodyne C[C@H](CCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000148777598 JK Annotated Anodyne CC[C@@H](CNCc1cccc2[nH]ccc12)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148777617 JK Annotated Anodyne CC[C@@H](CNCc1ccccc1OC)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148778196 JK Annotated Anodyne Cc1ccc(CCC[C@@H](C)c2cc(O)c3c4c(c(=O)oc3c2)CCN(Cc2ccccc2)C4)cc1 ZINC000148779968 JK Annotated Anodyne Cc1ccc(CCC[C@H](C)c2cc(O)c3c4c(c(=O)oc3c2)CCN(Cc2ccccc2)C4)cc1 ZINC000148780174 JK Annotated Anodyne CCCN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2[nH]ccc12 ZINC000148781990 JK Annotated Anodyne CCCN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2[nH]ccc12 ZINC000148782208 JK Annotated Anodyne CCc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000148807823 JK Annotated Anodyne CCc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000148808033 JK Annotated Anodyne CCc1c(C)cccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148815048 JK Annotated Anodyne CCc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148816375 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000148817937 JK Annotated Anodyne Cc1ccc(C)c(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148819478 JK Annotated Anodyne Cc1cccc(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148839840 JK Annotated Anodyne Cc1ccc(C)c(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148844601 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000148847834 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000148865847 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3[nH]ccc23)C1 ZINC000148868323 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000148871744 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000148896870 JK Annotated Anodyne Cc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)CCCCO4)CC(C)C)C2)c1C ZINC000148898433 JK Annotated Anodyne Cc1ccc(C)c(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)CCCCO4)CC(C)C)C2)c1 ZINC000148899074 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2CCN3)C1 ZINC000148901306 JK Annotated Anodyne Cc1ccc(C)c(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)CCCCO4)CC(C)C)C2)c1 ZINC000148911530 JK Annotated Anodyne Cc1ccc(C)c(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)CCCCO4)CC(C)C)C2)c1 ZINC000148911737 JK Annotated Anodyne Cc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)CCCCO3)CC(C)C)c1C ZINC000148912970 JK Annotated Anodyne Cc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)CCCCO3)CC(C)C)c1C ZINC000148913120 JK Annotated Anodyne Cc1ccc(C)c(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)CCCCO3)CC(C)C)c1 ZINC000148914155 JK Annotated Anodyne Cc1ccc(C)c(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)CCCCO3)CC(C)C)c1 ZINC000148914350 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000148927221 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000148930230 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(F)(F)c2ccccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000148941961 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(F)(F)c2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000148942171 JK Annotated Anodyne CC(C)(C)Nc1cc(-c2nccc3c(-n4cnc(-c5cccnc5)c4)cccc23)ccc1C(N)=O ZINC000148982605 JK Annotated Anodyne C[C@H]1c2c(cc(CN3CCC(C#N)(c4ccccn4)CC3)c3ccccc23)C(=O)N1[C@H]1CCCC[C@@H]1O ZINC000149039692 JK Annotated Mild C[C@@H]1c2c(cc(CN3CCC(C#N)(c4ccccn4)CC3)c3ccccc23)C(=O)N1[C@H]1CCCC[C@@H]1O ZINC000149039907 JK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C(=O)C[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC[C@@H]2C1(C)C ZINC000149071188 JK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCC[C@H](O)C3)c2C1 ZINC000149141335 JK Annotated Anodyne COCCCOc1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000149149757 JK Annotated Anodyne CCOc1ccc(CCN(C)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC ZINC000149153590 JK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN([C@@H](C)c2ccccc2)CC3)CC1(C)C ZINC000149157383 JK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN([C@@H](C)c2ccccc2)CC3)CC1(C)C ZINC000149157558 JK Annotated Anodyne CCOc1cc(F)c(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC ZINC000149181136 JK Annotated Anodyne CC(C)Oc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OC(C)C ZINC000149314717 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(Cl)c(Cl)c1 ZINC000149341258 JK Annotated Anodyne CCOc1ccc([C@@H](C)CNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC ZINC000149424062 JK Annotated Anodyne CCOc1ccc([C@H](C)CNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC ZINC000149424282 JK Annotated Anodyne CCOC(=O)[C@]1(O)C[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1=O ZINC000149467685 JK Annotated Mild CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC4)OC1=O ZINC000149538175 JK Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000149540721 JK Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000149540955 JK Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2c(C(=O)/C=C/c3ccccc3)c(O)cc3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3 ZINC000149544715 JK Annotated Mild N#CC1(c2ccccc2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000149600918 JK Annotated Mild CC1=C(c2ccc(CCCN3CCCCC3)cc2)N(c2ccc(O)cc2)NC1=C1C=CC(=O)C=C1 ZINC000149611856 JK Annotated Mild in-vivo C/C(=N\c1ccc2c(c1)C(=O)c1ccc(/N=C(\C)N3CCCCC3)cc1C2=O)N1CCCCC1 ZINC000149667712 JK Annotated Mild CCN(CC)CCNCCCOc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149956161 JK Annotated Anodyne Cc1nc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c(C)s1 ZINC000149957387 JK Annotated Clean CCc1cc(C2CCC2)c(-c2nnc(OC)[nH]2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000149984873 JK Annotated Anodyne COc1cc(O)c(-c2c(O)cc(OC)c3c2ccc2cc(O)ccc23)c2c1-c1ccc(O)cc1CC2 ZINC000001531701 JK Annotated Bother in-vitro biogenic C/C=C(C)/C=C/C=C/[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2cc(O)cc(O)c2c(=O)c1C ZINC000001532465 JK Annotated Anodyne in-vitro C/C=C(C)/C=C/C=C/[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2cc(O)cc(OC)c2c(=O)c1C ZINC000001532466 JK Annotated Anodyne in-vitro O=C(CCSCc1ccco1)NCC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001535883 JK Annotated Anodyne O=C(CCSCc1ccco1)CNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000001535889 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(-c3ccccc3)cc1)[C@H]2O ZINC000001536485 JK Annotated Anodyne Cc1cc2c(-c3ccccc3)c(NC(=O)N(C)Cc3ccccc3Cl)n(C)c(=O)c2cc1C ZINC000001537730 JK Annotated Anodyne COCc1cc(-c2ccccc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 ZINC000001538119 JK Annotated Anodyne C[C@@H](O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 ZINC000001538120 JK Annotated Anodyne COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540649 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000001540651 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccc(C)cc3)[nH]2)c1 ZINC000001540655 JK Annotated Anodyne COc1ccc(S(=O)(=O)C(C)C)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540659 JK Annotated Anodyne CCOc1nc(-c2ccc(CP(=O)(OCC)OCC)cc2)nc2ccc(Br)cc12 ZINC000001540758 JK Annotated Anodyne CCCC(=O)c1cnc2c(OCCCN(C)Cc3ccccc3)cccc2c1Nc1ccccc1C ZINC000001541164 JK Annotated Anodyne CCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 ZINC000001541553 JK Annotated Anodyne CCCN1c2ccccc2C(=O)N(CC(=O)O)c2cc(OCc3cccc4ccccc34)ccc21 ZINC000001542051 JK Annotated Anodyne CCCN1c2ccccc2C(=O)N(CC(=O)O)c2cc(NCc3cccc4ccccc34)ccc21 ZINC000001542052 JK Annotated Anodyne Fc1ccc(C2=C[C@H]3CC[C@@H](C2)N3CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000001542666 JK Annotated Anodyne Oc1c(CN2CCCCCC2)ccc2c1CCN(CCCC(c1ccccc1)c1ccccc1)C2 ZINC000001545737 JK Annotated Clean in-vivo C=C/C=C/C(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl ZINC000001546047 JK Annotated Anodyne CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000001546480 JK Annotated Anodyne O[C@@H](c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)C(F)(F)F ZINC000001550615 JK Annotated Anodyne Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001550754 JK Annotated Mild Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001550756 JK Annotated Mild CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c(Cl)c1Cl ZINC000001551495 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@H](CO)C3)ncn2)cc1C(F)(F)F ZINC000001551498 JK Annotated Anodyne COc1ccc(-c2cc(Oc3c(F)c(F)cc(F)c3F)nnc2-c2ccc(OC)cc2)cc1 ZINC000001551965 JK Annotated Anodyne COc1ccc(-c2cc(Oc3c(F)c(F)c(F)c(F)c3F)nnc2-c2ccc(OC)cc2)cc1 ZINC000001551966 JK Annotated Anodyne C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 ZINC000001551995 JK Annotated Anodyne CC1(C)c2ccoc2C[C@@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@@H]21 ZINC000001552558 JK Annotated Reactive O=C(Oc1c2c(c(OC(=O)c3ccccc3)c3cc(Cl)ccc13)OCCCO2)c1ccccc1 ZINC000001554438 JK Annotated Anodyne Cc1cc(NCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1 ZINC000001560988 JK Annotated Bother CNCCc1c([C@@H]2[C@@H]3[C@@H](C=C(C)CC3(C)C)c3c(CCNC)c4ccccc4n32)[nH]c2ccccc12 ZINC000001571981 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)CC2=C(CC(C)(C)O)C(=O)[C@@]3(C)CCC[C@@]3(C)C2)c1 ZINC000001609180 JK Annotated Mild COc1cc(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2c1OC ZINC000001611751 JK Annotated Clean CCCCC1(C2c3ccccc3Oc3ccccc32)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000001612882 JK Annotated Clean CC(C)(C)C1=Nc2c(Br)cc(C(C)(C)C)cc2C(C(F)(F)F)(C(F)(F)F)O1 ZINC000001613925 JK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1SSc1c(NC(=O)C(C)(C)C)cccc1OC ZINC000001616558 JK Annotated Reactive O=P1(Oc2ccc(Cl)cc2Cl)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1 ZINC000001616869 JK Annotated Anodyne FC(F)(F)c1nc(-c2ccccc2)oc1Sc1oc(-c2ccccc2)nc1C(F)(F)F ZINC000001618854 JK Annotated Anodyne Cc1c(-c2cc3n(n2)[C@@H](c2cccs2)C(C#N)=C(c2ccccc2)N3)c(=O)n(-c2ccccc2)n1C ZINC000001618910 JK Annotated Reactive CC(C)(C)[C@@]1(c2ccc([C@@]3(c4ccccc4)Oc4ccccc4S3)[nH]2)Oc2ccccc2S1 ZINC000001618933 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc([C@@]3(c4ccccc4)Oc4ccccc4S3)[nH]2)Oc2ccccc2S1 ZINC000001618934 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc([C@]3(c4ccccc4)Oc4ccccc4S3)[nH]2)Oc2ccccc2S1 ZINC000001618935 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc([C@]3(c4ccccc4)Oc4ccccc4S3)[nH]2)Oc2ccccc2S1 ZINC000001618936 JK Annotated Anodyne CCCCCCCCC[C@H]1[C@@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000001618975 JK Annotated Mild O=c1c(Sc2c(O)c3ccccc3c3ccccc3c2=O)c(O)c2ccccc2c2ccccc12 ZINC000001619539 JK Annotated Bother COc1cc(C(=C2SCCS2)c2nccc3cc(OC)c(OC)cc23)c([N+](=O)[O-])cc1OC ZINC000001619890 JK Annotated Bother O=S(=O)(/C=C/c1ccc(F)cc1)Cc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000001622499 JK Annotated Anodyne CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1 ZINC000001622506 JK Annotated Anodyne Brc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 ZINC000001622955 JK Annotated Anodyne c1c2c(cc(-n3nnc4c3CCCCCC4)c1-n1nnc3c1CCCCCC3)CCCCCC2 ZINC000001623076 JK Annotated Anodyne CC12c3ccccc3C(OC=O)(c3ccccc31)C1(C)c3ccccc3C2(OC=O)c2ccccc21 ZINC000001624590 JK Annotated Anodyne CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)NC)c1)c1cc(Cl)c(OC)c(C(=O)NC)c1 ZINC000001625560 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@@H]2[C@@H]3O[C@@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000001626059 JK Annotated Anodyne N#CCCN(CCC#N)c1ccc(/C=C2\N=C(COc3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000001627744 JK Annotated Mild O=C(c1ccccc1)c1nc2c(Cl)ccc(Cl)c2cc1C(Br)Br ZINC000001628645 JK Annotated Reactive Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 ZINC000001628717 JK Annotated Anodyne COC(=O)c1c2c(c(-c3ccccc3)c3c1-c1nc(Cl)ccc1CC3)CCc1ccc(Cl)nc1-2 ZINC000001629629 JK Annotated Anodyne Cc1ccc(NC(=O)C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 ZINC000001630167 JK Annotated Mild CC(C)c1cccc(C(C)C)c1NC(=S)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000001631607 JK Annotated Mild CC(C)(C)C1=CC(=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000001631609 JK Annotated Mild CC(C)(C)C1=CC(=N/N=c2\scc(-c3ccccc3)n2Cc2ccccc2)C=C(C(C)(C)C)C1=O ZINC000001631611 JK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000001632183 JK Annotated Anodyne CN(c1n[n+]2c(-c3ccccc3)csc2s1)c1n[n+]2c(-c3ccccc3)csc2s1 ZINC000001632398 JK Annotated Anodyne CCN(c1n[n+]2c(-c3ccccc3)csc2s1)c1n[n+]2c(-c3ccccc3)csc2s1 ZINC000001632399 JK Annotated Anodyne COc1ccc(N2C(=O)c3c(c4[nH]c5ccc(OC)cc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1 ZINC000001634937 JK Annotated Bother CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc(CN(CC)CC)c1O ZINC000001635285 JK Annotated Clean COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(Cl)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000001635401 JK Annotated Anodyne C=C[C@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br ZINC000001635416 JK Annotated Reactive C=C[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Br ZINC000001635417 JK Annotated Reactive C=C[C@@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br ZINC000001635418 JK Annotated Reactive C=C[C@@](Br)(CBr)CC[C@H](Br)C(C)(C)Br ZINC000001635419 JK Annotated Reactive C=C(Br)[C@@](C)(Br)CC[C@@H](Br)C(C)(C)Br ZINC000001635865 JK Annotated Reactive C=C(Br)[C@@](C)(Br)CC[C@H](Br)C(C)(C)Br ZINC000001635866 JK Annotated Reactive C=C(Br)[C@](C)(Br)CC[C@@H](Br)C(C)(C)Br ZINC000001635867 JK Annotated Reactive C=C(Br)[C@](C)(Br)CC[C@H](Br)C(C)(C)Br ZINC000001635868 JK Annotated Reactive COc1cccc(/C=C2/N=C(c3ccccc3)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1 ZINC000001635964 JK Annotated Clean CC(C)NC(=O)OCc1c2c(n(C)c1COC(=O)NC(C)C)-c1cc(Cl)c(Cl)cc1CC2 ZINC000001636222 JK Annotated Anodyne CC(C)(Cl)[C@@H](Br)CC[C@@](C)(Br)[C@@H](Br)CBr ZINC000001637291 JK Annotated Reactive COc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1 ZINC000001637752 JK Annotated Reactive O=C1C[C@H](NC(=O)C(F)(F)F)c2c(Br)sc(N3CCC(c4ccccc4)CC3)c21 ZINC000001638253 JK Annotated Anodyne O=C1C[C@@H](NC(=O)C(F)(F)F)c2c(Br)sc(N3CCC(c4ccccc4)CC3)c21 ZINC000001638254 JK Annotated Anodyne CCOC(=O)c1c(Br)c(-c2ccc(Br)cc2)c(Br)n1C ZINC000001638631 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)oc(=O)c(Cc2cccc3cccnc23)c1-c1ccccc1 ZINC000001639085 JK Annotated Anodyne C=C(Cl)[C@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br ZINC000001639185 JK Annotated Reactive C=C(Cl)[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Br ZINC000001639186 JK Annotated Reactive C=C(Cl)[C@@](Br)(CBr)CC[C@@H](Br)C(C)(C)Br ZINC000001639187 JK Annotated Reactive C=C(Cl)[C@@](Br)(CBr)CC[C@H](Br)C(C)(C)Br ZINC000001639188 JK Annotated Reactive Cc1cc(Br)c(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)c(Br)c1 ZINC000001640470 JK Annotated Mild CC(C)(C)C1=C(Br)[C@@](OC(=O)C(F)(F)F)(C(C)(C)C)O[P@]1(=O)c1ccccc1 ZINC000001642279 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@@](OC(=O)C(F)(F)F)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642280 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@](OC(=O)C(F)(F)F)(C(C)(C)C)O[P@]1(=O)c1ccccc1 ZINC000001642281 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@](OC(=O)C(F)(F)F)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642282 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@@](Br)(C(C)(C)C)O[P@]1(=O)c1ccccc1 ZINC000001642287 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@@](Br)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642288 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@](Br)(C(C)(C)C)O[P@]1(=O)c1ccccc1 ZINC000001642289 JK Annotated Anodyne CC(C)(C)C1=C(Br)[C@](Br)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642290 JK Annotated Anodyne COc1ccc(-c2c3c(nc4nc(SCCc5ccccc5)nc(N)c24)CCCC3)cc1OC ZINC000001642451 JK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)[C@@]12N(Cc1ccccc1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000001643279 JK Annotated Anodyne CSC(SC)=C(C(=O)c1ccc(Cl)cc1)n1c(=O)sc2cc(Br)ccc21 ZINC000001643583 JK Annotated Mild CC(C)c1ccc(/C=C2\CSCC3=C2N=C2SCC(=O)N2[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000001643691 JK Annotated Anodyne CC(C)c1ccc(/C=C2\CSCC3=C2N=C2SCC(=O)N2[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000001643693 JK Annotated Anodyne OCCN=C1c2ccccc2C2C(c3ccccc31)C1c3ccccc3C(=NCCO)c3ccccc3C21 ZINC000001643731 JK Annotated Mild O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccco1 ZINC000001644229 JK Annotated Anodyne Oc1ccccc1/C=N/N1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 ZINC000001644373 JK Annotated Mild O=C1CS[C@H](c2ccccc2O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001645220 JK Annotated Clean O=C1CS[C@H](c2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001645225 JK Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000001645226 JK Annotated Anodyne COC(CN(C(=O)c1ccccc1)[C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC ZINC000001645614 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(F)cc1 ZINC000001646015 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(OC)cc1 ZINC000001646017 JK Annotated Anodyne CCN1C(c2ccccc2)=CC(c2ccccc2)(C(Cl)(Cl)Cl)C=C1c1ccccc1 ZINC000001647039 JK Annotated Anodyne Br[C@]1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21 ZINC000001647042 JK Annotated Anodyne CC(C)(C)c1cc([C@H]2CO[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O ZINC000001647610 JK Annotated Anodyne CC(C)(C)c1cc([C@H]2CO[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O ZINC000001647611 JK Annotated Anodyne CC(C)(C)c1cc([C@@H]2CO[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O ZINC000001647613 JK Annotated Anodyne Cc1cc(NCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)c2ccccc2n1 ZINC000001648061 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3ccc4ccn(S(=O)(=O)c5ccc(C)cc5)c4c3)c2)cc1 ZINC000001648861 JK Annotated Anodyne COc1cc([C@@H]2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc(OC)c1OC ZINC000001648875 JK Annotated Mild O=S(=O)(O)/C(=N/c1cccc(Cc2ccccc2)c1)Nc1cccc(Cc2ccccc2)c1 ZINC000001649346 JK Annotated Mild CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1cc(Cl)c(Cl)cc12 ZINC000001649421 JK Annotated Anodyne CC(=O)Nc1ccccc1S(=O)(=O)c1c(-c2c(C)c(Cl)c(C)c(Cl)c2C)noc1C ZINC000001649700 JK Annotated Anodyne SC1=Nc2ccccc2-c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)c2C1 ZINC000001649891 JK Annotated Anodyne CCN1/C(=C/C#C/C(C)=C\c2sc3ccc(Cl)cc3[n+]2CC)Sc2ccc(Cl)cc21 ZINC000001649953 JK Annotated Mild CC(C)COP(=O)(OCC(C)C)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000001649984 JK Annotated Anodyne CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000001650031 JK Annotated Anodyne Cc1ccc(C)n1-c1ccccc1[C@H]1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32 ZINC000001650070 JK Annotated Clean COc1c(OC(C)C)c(OC(C)C)c2oc(=O)n3c2c1[C@@H](c1ccccc1-n1c(C)ccc1C)C=C3 ZINC000001650071 JK Annotated Clean Cc1ccc(C)n1-c1ccccc1[C@H]1C=Cn2c(O)nnc3c(OC(C)C)c(OC(C)C)c(=O)c1c2-3 ZINC000001650072 JK Annotated Clean Cc1ccc(OC[C@H]2O[C@@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000001650313 JK Annotated Anodyne CC1(C)CC(=O)C2(C[C@H](CS(=O)(=O)c3ccccc3)[C@H](CSc3ccccc3)C2)C(=O)C1 ZINC000001650853 JK Annotated Anodyne CC1(C)CC(=O)C2(C[C@@H](CSc3ccccc3)[C@H](CS(=O)(=O)c3ccccc3)C2)C(=O)C1 ZINC000001650854 JK Annotated Anodyne CC1(C)CC(=O)C2(C[C@H](CSc3ccccc3)[C@@H](CS(=O)(=O)c3ccccc3)C2)C(=O)C1 ZINC000001650855 JK Annotated Anodyne CC1(C)CC(=O)C2(C[C@H](CSc3ccccc3)[C@H](CS(=O)(=O)c3ccccc3)C2)C(=O)C1 ZINC000001650856 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000001651462 JK Annotated Anodyne Cn1c(=O)c2sc3cc4c(cc3c2c2ccccc21)sc1c(=O)n(C)c2ccccc2c14 ZINC000001651650 JK Annotated Bother Cn1c(=O)c2sc3c4sc5c(=O)n(C)c6ccccc6c5c4sc3c2c2ccccc21 ZINC000001651651 JK Annotated Bother CC1(C)OC(=O)c2cc(C(=CCCO)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1 ZINC000001651718 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@H](C)C3=C2NC(=S)N[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001652448 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc1OC ZINC000001652467 JK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000001652646 JK Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1 ZINC000001652647 JK Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1 ZINC000001652649 JK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000001652651 JK Annotated Reactive CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 ZINC000001652764 JK Annotated Reactive Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(C)c1C ZINC000001652843 JK Annotated Anodyne CNc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000001653499 JK Annotated Reactive O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000001653649 JK Annotated Anodyne CCOc1cc([C@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)ccc1O ZINC000001653652 JK Annotated Anodyne CN(C)c1ccc([C@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000001653654 JK Annotated Clean CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000001653940 JK Annotated Reactive Brc1c(C#CCC2CCCCC2)ccc(C#CCC2CCCCC2)c1Br ZINC000001654511 JK Annotated Mild Cc1cc2nc3c(C#N)c(-c4ccccc4)cc(Nc4cccc(C(F)(F)F)c4)n3c2cc1C ZINC000001654903 JK Annotated Mild Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c12 ZINC000001655004 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3Br)c12 ZINC000001655005 JK Annotated Anodyne CCCCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1 ZINC000001655034 JK Annotated Anodyne CCOc1cc2oc(C)cc(=O)c2c(OC)c1/C=N/c1ccc(Cn2c(C)nc3ccccc32)cc1 ZINC000001655170 JK Annotated Mild CC(=O)c1c(SCCN2CCCCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001655229 JK Annotated Anodyne O=c1c(-c2ccccc2)c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001655234 JK Annotated Anodyne CN(C)c1ccc(/C(F)=C(F)/C(F)=C(F)/C(F)=C(\F)c2ccc(Br)cc2)cc1 ZINC000001655358 JK Annotated Clean C=CCN(C(C)=O)c1cc(OCc2ccccc2)c2c(c1)c(C)cn2S(=O)(=O)c1ccccc1 ZINC000001655806 JK Annotated Mild COc1ccc(C(=O)c2ccc(-n3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)cc2)cc1 ZINC000001655852 JK Annotated Mild CCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1-n1cc(-c2ccccc2)c(C#N)c1N ZINC000001657497 JK Annotated Mild COc1ccc(/C=N/c2nc3cc4sc(/N=C/c5ccc(OC)cc5)nc4cc3s2)cc1 ZINC000001657695 JK Annotated Mild C(=C/c1ccccc1)\C=N\c1nc2cc3sc(/N=C/C=C/c4ccccc4)nc3cc2s1 ZINC000001657698 JK Annotated Mild O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)[C@@H](SC(=S)N1CCCCC1)c1ccccc1 ZINC000001658302 JK Annotated Anodyne Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3\C(=O)N(CN(C)C)c4ccccc43)n2)cc1 ZINC000001658385 JK Annotated Mild CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1ccc(O)cc1O[C@@H]4C=C(C)C)C=CC(C)(C)O2 ZINC000001658456 JK Annotated Anodyne O=c1c(Cc2ccc(Cl)cc2)nnc2sc(-c3ccc(-c4ccc(F)c(Cl)c4)o3)nn12 ZINC000001658991 JK Annotated Anodyne O=c1c(Cc2ccc(Cl)cc2)nnc2sc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)nn12 ZINC000001658992 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000001659059 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)c(Cl)c1)n2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000001659063 JK Annotated Anodyne Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000001659067 JK Annotated Anodyne C[C@@H](CO)C1=C[C@@H](C#CCOCc2ccccc2)N(C(=O)Oc2ccccc2)c2ccccc21 ZINC000001659685 JK Annotated Mild C[C@H](CO)C1=C[C@@H](C#CCOCc2ccccc2)N(C(=O)Oc2ccccc2)c2ccccc21 ZINC000001659686 JK Annotated Mild C[C@@H](CO)C1=C[C@H](C#CCOCc2ccccc2)N(C(=O)Oc2ccccc2)c2ccccc21 ZINC000001659687 JK Annotated Mild C[C@H](CO)C1=C[C@H](C#CCOCc2ccccc2)N(C(=O)Oc2ccccc2)c2ccccc21 ZINC000001659688 JK Annotated Mild Clc1ccc(OCc2nnc3sc(-c4ccc(-c5ccc(Cl)cc5Cl)o4)nn23)cc1 ZINC000001660340 JK Annotated Anodyne O=C1[C@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000001660604 JK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000001660605 JK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000001660606 JK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000001660607 JK Annotated Reactive O=C1[C@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000001660608 JK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000001660609 JK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000001660610 JK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000001660611 JK Annotated Reactive O=C1[C@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl ZINC000001660612 JK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl ZINC000001660613 JK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl ZINC000001660614 JK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1c(Cl)cccc1Cl ZINC000001660615 JK Annotated Reactive COc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660616 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660617 JK Annotated Reactive COc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660618 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660619 JK Annotated Reactive O=C1CS[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000001660620 JK Annotated Anodyne O=C1CS[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000001660621 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H](C)S[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660624 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660625 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H](C)S[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660626 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H](C)S[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660627 JK Annotated Anodyne NC(=O)[C@H](Nc1c(Cl)cccc1Cl)c1cc2cc(Br)ccc2nc1Cl ZINC000001660632 JK Annotated Anodyne CC(C)(C)OC(=O)N1C(OP(=O)(Oc2ccccc2)Oc2ccccc2)=CSc2ccccc21 ZINC000001661586 JK Annotated Anodyne O=C(CCS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000001661716 JK Annotated Anodyne O=C(O)CCS/C(=C\[C@@H](SCCC(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001661719 JK Annotated Anodyne O=C(O)CCS/C(=C\[C@H](SCCC(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001661721 JK Annotated Anodyne O=C1[C@H](Cl)[C@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 ZINC000001662028 JK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 ZINC000001662029 JK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 ZINC000001662030 JK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cccc(Cl)c2)N1c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 ZINC000001662031 JK Annotated Reactive O=C1CS[C@H](c2cccc(Cl)c2)N1c1c(O)c(Cl)cc(Br)c1Cl ZINC000001662037 JK Annotated Anodyne COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCBr)OCO2 ZINC000001662764 JK Annotated Reactive COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1 ZINC000001662842 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1N ZINC000001662935 JK Annotated Reactive Cc1cc(S(=O)(=O)Nc2nc3ccccc3nc2-c2ccc(Cl)cc2)c(S)cc1Cl ZINC000001663289 JK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3ccccc3nc2-c2cccc([N+](=O)[O-])c2)c(S)cc1Cl ZINC000001663290 JK Annotated Bother CCN(CC)C(=S)S[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000001663333 JK Annotated Anodyne Nc1c(C(=O)c2ccc(Cl)cc2)[nH]c(NCc2ccccc2)c1C(=S)Nc1ccccc1 ZINC000001663701 JK Annotated Anodyne Nc1c(C(=O)c2ccc(Cl)c(Cl)c2)[nH]c(NCc2ccccc2)c1C(=S)Nc1ccccc1 ZINC000001663702 JK Annotated Anodyne Cc1ccc(C(=O)c2[nH]c(Nc3ccc(Cl)cc3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000001663720 JK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(Nc3ccc(Cl)cc3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000001663746 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000001728529 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000001728530 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000001728531 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000001728532 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@@]1(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000001757565 JK Annotated Anodyne CCCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000001773394 JK Annotated Anodyne CCCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1C ZINC000001773406 JK Annotated Anodyne Cc1cccc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)n1 ZINC000001787250 JK Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000001830775 JK Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000001830776 JK Annotated Anodyne CC1=C2[C@H](c3ccccc3)[C@H]3C=C[C@@]2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000001851230 JK Annotated Anodyne CC1=C2[C@@H](c3ccccc3)[C@H]3C=C[C@@]2(c2ccccc23)N(C(=O)Nc2cccc3ccccc23)C1=O ZINC000001851240 JK Annotated Anodyne O=[P@@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@@H](C(Cl)(Cl)Cl)O1 ZINC000001855888 JK Annotated Reactive O=[P@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@@H](C(Cl)(Cl)Cl)O1 ZINC000001855891 JK Annotated Reactive O=[P@@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@H](C(Cl)(Cl)Cl)O1 ZINC000001855893 JK Annotated Reactive O=[P@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2[C@H](C(Cl)(Cl)Cl)O1 ZINC000001855895 JK Annotated Reactive N#Cc1cccc(Nc2ccccc2SSc2ccccc2Nc2cccc(C#N)c2)c1 ZINC000001856428 JK Annotated Reactive Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3[C@@]2(O)c2cccc(C(F)(F)F)c2)cc1 ZINC000001856512 JK Annotated Anodyne CC(/C=C/C=C(\C)c1ccc(C)c(=O)o1)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000001858422 JK Annotated Mild C/C(=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C)c1ccc(C)c(=O)o1 ZINC000001858425 JK Annotated Mild CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000001858691 JK Annotated Reactive O=[P@](Nc1ccccc1)(Oc1c(F)c(F)c(F)c(F)c1F)N(CCCl)CCCl ZINC000001859042 JK Annotated Reactive Cc1ccc(N[P@@](=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1 ZINC000001859091 JK Annotated Reactive COc1ccc(/C=N/N2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1 ZINC000001859620 JK Annotated Mild Nc1ccc2c(c1)N(C(=O)c1cc3cc(NC(=O)c4cc5ccccc5o4)ccc3[nH]1)C[C@@H]2CCl ZINC000001859944 JK Annotated Reactive O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Nc1cccc2ccccc12)Sc1ccccc1 ZINC000001860578 JK Annotated Anodyne O=C(c1ccc(Br)cc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000001860783 JK Annotated Bother COc1cc(C(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc(OC)c1OC ZINC000001860786 JK Annotated Bother S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1 ZINC000001860809 JK Annotated Bother COc1cc(/C=C2/S[C@H](c3ccccc3)N(c3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000001860866 JK Annotated Anodyne COc1cc(/C=C2/S[C@@H](c3ccccc3)N(c3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000001860868 JK Annotated Anodyne COc1cc(/C=C2/S[C@H](c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000001860871 JK Annotated Anodyne COc1cc(/C=C2/S[C@@H](c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000001860873 JK Annotated Anodyne COc1cc(/C=C2/S[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC ZINC000001860878 JK Annotated Bother COc1cc(/C=C2/S[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC ZINC000001860882 JK Annotated Bother COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S[C@@H]2c2ccccc2)cc1 ZINC000001860894 JK Annotated Anodyne COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S[C@H]2c2ccccc2)cc1 ZINC000001860896 JK Annotated Anodyne COc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@@H]1c1ccccc1 ZINC000001861129 JK Annotated Anodyne COc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@H]1c1ccccc1 ZINC000001861133 JK Annotated Anodyne COC(=O)c1cc(C(=CCCCCO)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001861423 JK Annotated Anodyne COC(=O)C[P@@]1(=O)O[C@@H]2[C@@H]([C@@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001861601 JK Annotated Anodyne Brc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)s1 ZINC000001861853 JK Annotated Anodyne COC(=O)c1cc(C(=CCCCC=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001861930 JK Annotated Mild CS[C@@]12c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862071 JK Annotated Clean CS[C@]12c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862072 JK Annotated Clean CS[C@@]12c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862073 JK Annotated Clean CS[C@]12c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862075 JK Annotated Clean N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)nc1N ZINC000001862561 JK Annotated Mild N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)nc1N ZINC000001862563 JK Annotated Mild COc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)nc(N)c2C#N)cc1 ZINC000001862564 JK Annotated Mild COc1ccccc1N1C(=O)/C(=C\c2ccccc2)S[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001862951 JK Annotated Anodyne COc1ccccc1N1C(=O)/C(=C\c2ccccc2)S[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001862955 JK Annotated Anodyne COc1ccc(N2C(=O)/C(=C\c3ccccc3)S[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001862991 JK Annotated Anodyne COc1ccc(N2C(=O)/C(=C\c3ccccc3)S[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001862993 JK Annotated Anodyne COc1ccc(OC)c(N2C(=O)/C(=C\c3ccccc3)S[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001863006 JK Annotated Anodyne COc1ccc(OC)c(N2C(=O)/C(=C\c3ccccc3)S[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001863010 JK Annotated Anodyne CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1 ZINC000001863572 JK Annotated Anodyne CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C=O)c1)c1cc(Cl)c(OC)c(C=O)c1 ZINC000001863574 JK Annotated Anodyne Brc1ccc2[nH]cc(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c2c1 ZINC000001863762 JK Annotated Anodyne Brc1ccc2c(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c[nH]c2c1 ZINC000001863768 JK Annotated Anodyne Brc1ccc2c(-c3nc(-c4c[nH]c5ccc(Br)cc45)cs3)c[nH]c2c1 ZINC000001863771 JK Annotated Anodyne Fc1ccc(C(=C2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c2ccc(F)cc2)cc1 ZINC000001863817 JK Annotated Anodyne C[C@@]1(c2cccc(C(F)(F)F)c2)CC(c2cccc(C(F)(F)F)c2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000001864088 JK Annotated Reactive O=C1/C(=C/c2cccnc2)[C@@H](n2cccc2)c2c(Br)sc(Br)c21 ZINC000001864354 JK Annotated Mild O=C1/C(=C/c2cccnc2)[C@H](n2cccc2)c2c(Br)sc(Br)c21 ZINC000001864359 JK Annotated Mild O=C1/C(=C/c2ccncc2)[C@H](n2cccc2)c2c(Br)sc(Br)c21 ZINC000001864367 JK Annotated Mild CSc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4c(Cl)cc(Cl)cc4s3)C2=O)cc1 ZINC000001864554 JK Annotated Clean CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4c(Cl)cc(Cl)cc4s3)C2=O)cc1 ZINC000001864556 JK Annotated Clean CNC(=O)OCc1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1COC(=O)NC ZINC000001873949 JK Annotated Anodyne O=C(O)CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001895107 JK Annotated Clean CC1(C)COP(=O)(C(CCC(=O)c2cccc(F)c2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000001895375 JK Annotated Anodyne Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cc(OCCCN(C)C)ccc2n1 ZINC000001905563 JK Annotated Anodyne Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCCN(C)C)c2n1 ZINC000001905574 JK Annotated Anodyne Fc1cc(F)cc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000001910625 JK Annotated Anodyne CCN(CC)CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1 ZINC000001913779 JK Annotated Mild OC1(C2(CCC#CCN3CCCCC3)SCCCS2)c2ccccc2Oc2ccccc21 ZINC000001913782 JK Annotated Mild CCN(CC)CC#CCCC1(C2(O)c3ccccc3Sc3ccccc32)SCCCS1 ZINC000001913792 JK Annotated Mild CCN(CC)CC#CCCC1(C2(O)c3ccccc3C=Cc3ccccc32)SCCCS1 ZINC000001913801 JK Annotated Mild CCN(CC)CC#CCCC1(C2(O)c3ccccc3CCc3ccccc32)SCCCS1 ZINC000001913804 JK Annotated Mild O=C(O)CSCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914963 JK Annotated Anodyne O=C(O)C[S@@](=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914967 JK Annotated Anodyne c1ccc(-c2nn(CCCCCCCCc3nn[nH]n3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001914969 JK Annotated Anodyne CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(-c2ccccc2)c2ccc(Cl)cc21 ZINC000001920767 JK Annotated Clean CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(-c2ccccc2)c2cc(Cl)ccc21 ZINC000001920787 JK Annotated Clean CCC(=C/c1sc2ccccc2[n+]1CC)/C=C1/Sc2ccccc2N1CCCS(=O)(=O)O ZINC000001951385 JK Annotated Clean COc1cccc(/C=C/CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000001996701 JK Annotated Bother O=C1C[C@@H](C(=O)N2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)c2ccccc21 ZINC000015002234 JK Annotated Anodyne O=C1C[C@H](C(=O)N2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)c2ccccc21 ZINC000015002237 JK Annotated Anodyne C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000015061008 JK Annotated Mild COC(=O)[C@@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@@]13C ZINC000015105785 JK Annotated Anodyne in-man COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@@]13C ZINC000015105787 JK Annotated Anodyne in-man COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@@]13C ZINC000015105789 JK Annotated Anodyne in-man COC(=O)[C@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@@]13C ZINC000015105790 JK Annotated Anodyne in-man COc1cc(O)c(C(=O)CCCCCCCCCCc2c(O)cccc2OC(C)=O)c(O)c1 ZINC000015113885 JK Annotated Anodyne in-vitro biogenic COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000015117572 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@H](O)/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000015117574 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@H](O)/C=C(\C)CCC[C@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000015117577 JK Annotated Anodyne CO[C@@]12C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@@H]12 ZINC000015118580 JK Annotated Anodyne in-man CO[C@]12C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@@H]12 ZINC000015118582 JK Annotated Anodyne in-man CO[C@@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@@H]12 ZINC000015118584 JK Annotated Anodyne in-man CO[C@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@@H]12 ZINC000015118586 JK Annotated Anodyne in-man C/C(=C\C[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)(C)C ZINC000015120038 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@H]([C@H](C)C/C=C(\C)C(C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C ZINC000015120042 JK Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(oc12)C=C(O)C(=O)C3(CC=C(C)C)CC=C(C)C ZINC000015121025 JK Annotated Mild in-vitro C=CC(C)(C)c1c(O)c(CC=C(C)C)c(O)c2c(=O)c3cc4c(c(O)c3oc12)OC(C)(C)C=C4 ZINC000015121026 JK Annotated Mild OCCCC[C@]1(c2ccc(/C=C3/C=C[C@@]4(CCCCO4)O3)s2)C=C/C(=C/c2cccs2)O1 ZINC000015121620 JK Annotated Anodyne CC1(C)C=Cc2c(ccc3c2OC(=O)C2C3C3C(=O)Oc4c(ccc5c4C=CC(C)(C)O5)C23)O1 ZINC000015122184 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCCC/C=C\CCCCCCC[C@H](O)C#CC#CC#CCO ZINC000015147642 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000015147665 JK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@@H]1Nc1ccccc12 ZINC000015148170 JK Annotated Mild CC(=O)SCCCCCCCCCCCCC(=O)Nc1c(O)cccc1-c1ccnc(C)c1 ZINC000015149124 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@H]1NC(=O)[C@H](C)NC1=O ZINC000015149219 JK Annotated Mild C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O ZINC000015149221 JK Annotated Mild C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@@H]1NC(=O)[C@@H](C)NC1=O ZINC000015149225 JK Annotated Mild CCCC[C@H](CCCCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000015149626 JK Annotated Anodyne COc1cc2c(cc1[C@@](C)(O)C[C@@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151277 JK Annotated Anodyne COc1cc2c(cc1[C@](C)(O)C[C@@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151280 JK Annotated Anodyne COc1cc2c(cc1[C@@](C)(O)C[C@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151283 JK Annotated Anodyne COc1cc2c(cc1[C@](C)(O)C[C@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151286 JK Annotated Anodyne CCCCCc1c(Oc2cc(O)cc(CCC(=O)CC)c2C(=O)OC)c(OC)cc(O)c1C(=O)O ZINC000015152007 JK Annotated Anodyne C=C(COC(=O)CCC)[C@@H]1C/C=C(\C)Cc2cc(co2)CC/C=C(\COC(=O)CCC)CC1 ZINC000015154233 JK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H](C)CC[C@]23C(=C[C@@H](OC(=O)C(C)C)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015156191 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N/c3cccc4ccccc34)n2C)cc1 ZINC000015188774 JK Annotated Anodyne COc1c(CC=C(C)C)c(-c2coc3cc(O)cc(O)c3c2=O)c2cc(C(C)(C)O)oc2c1O ZINC000015203803 JK Annotated Anodyne CCc1cc2cc3[nH]c(cc4nc(c(CC)c4C)c4c5[nH]c(cc1n2)c(C)c5CC4)c(C)c3CC ZINC000015204654 JK Annotated Bother CC(=O)CC[C@@H]1[C@@H]([C@H]2C(=O)CC[C@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000015205824 JK Annotated Anodyne in-man CC(=O)CC[C@@H]1[C@@H]([C@H]2C(=O)CC[C@]2(C)[C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000015205827 JK Annotated Anodyne in-man CC(=O)CC[C@@H]1[C@@H]([C@H]2C(=O)CC[C@@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000015205830 JK Annotated Anodyne in-man CC(=O)CC[C@@H]1[C@@H]([C@H]2C(=O)CC[C@@]2(C)[C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000015205833 JK Annotated Anodyne in-man C=CCc1ccc(O)c(-c2ccc(O[C@]3(C)CCC[C@]4(C)CC[C@@H](C(C)(C)O)C[C@H]43)c(CC=C)c2)c1 ZINC000015206180 JK Annotated Mild C=CCc1ccc(O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)c(-c2ccc(O)c(CC=C)c2)c1 ZINC000015206192 JK Annotated Mild C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)c1 ZINC000015207495 JK Annotated Mild CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@@H](CC[C@@H]3C)C1(C)C ZINC000015209924 JK Annotated Anodyne in-man endogenous CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@@H](CC[C@@H]3C)C1(C)C ZINC000015209927 JK Annotated Anodyne in-man endogenous C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000015210032 JK Annotated Anodyne in-man endogenous C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000015210035 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210126 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210128 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210131 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210134 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210172 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000015210177 JK Annotated Anodyne in-man CC(C)=CCc1c(C)cc2cc3c(c(O)c2c1O)C(O)=CC(=O)C3(CC=C(C)C)CC=C(C)C ZINC000015215604 JK Annotated Mild in-vitro biogenic CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)c2cc3cc(C)cc(O)c3c(O)c2C1=O ZINC000015215606 JK Annotated Mild COc1c(O)c(OC)c(C(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)c(O)c1OC ZINC000015216363 JK Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5cc(O)cc(O)c5c4c2O3)c1 ZINC000015218815 JK Annotated Anodyne CO[C@H]1C[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)c2cc(C)oc2[C@@]1(CO)OC ZINC000015221737 JK Annotated Anodyne CC1(C)c2ccoc2C[C@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@H]21 ZINC000015222192 JK Annotated Reactive CC1(C)c2ccoc2C[C@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@@H]21 ZINC000015222195 JK Annotated Reactive CC1(C)c2ccoc2C[C@@H]2C=C(CSSCC3=C[C@@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@H]21 ZINC000015222198 JK Annotated Reactive COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1OC/C(O)=N/c1cccc(C)c1 ZINC000015227627 JK Annotated Mild C=C(C)[C@@H]1C[C@@]2(CC=C(C)C)CC(=O)[C@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000015251632 JK Annotated Mild C=C(C)[C@H]1C[C@@]2(CC=C(C)C)CC(=O)[C@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000015251635 JK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]1(CC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000015252024 JK Annotated Mild in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@]1(CC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000015252028 JK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)C(C)C)(C(=O)C(/C=C\C(C)(C)O)=C2O)C1(C)C ZINC000015252082 JK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000015252121 JK Annotated Mild Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000015262206 JK Annotated Anodyne Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000015262208 JK Annotated Anodyne Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000015262212 JK Annotated Anodyne in-vitro biogenic Oc1ccc(CCc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000015262216 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000015262241 JK Annotated Clean Oc1cc(O)cc([C@H]2c3c(O)cc(/C=C/c4ccc(O)c(O)c4)cc3O[C@@H]2c2ccc(O)c(O)c2)c1 ZINC000015262257 JK Annotated Clean Oc1ccc(CCc2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000015262291 JK Annotated Anodyne Oc1ccc(CCc2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000015262295 JK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@H]1C ZINC000015262552 JK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@H]1C ZINC000015262556 JK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@H]1C ZINC000015262559 JK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@@H]1C)OCO3 ZINC000015262643 JK Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2c(c3ccccc3c3oc4c(c5c(c6ccccc64)OC(=O)C(C)(C)O5)c(=O)c23)O1 ZINC000015265698 JK Annotated Bother COc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)c(O)cc1CC2 ZINC000015265813 JK Annotated Anodyne in-vitro biogenic CCCCCC(=O)Cc1cc(O)cc2oc3cc(O)c4c(c3c12)C[C@@](O)(CCCCC)OC4=O ZINC000015266312 JK Annotated Anodyne CC[C@](C)(O)c1c(Cl)c(OC)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 ZINC000015266344 JK Annotated Anodyne C1=C2CCCCCCCCCCN3CCC=C(CCCCCCCCCCCN(CC1)C2)C3 ZINC000015266444 JK Annotated Anodyne C1=C\CCCCN2C[C@@H]3CCCC/C=C\CCCCN4CC[C@H]([C@@H](CCCCCC/1)C4)[C@@H](C3)C2 ZINC000015266446 JK Annotated Anodyne CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000015266745 JK Annotated Anodyne C[C@H]1CCC2=C(CCCC2(C)C)[C@]1(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000015266759 JK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000015266766 JK Annotated Anodyne C[C@H]1CC[C@H]2C(=CC(=O)CC2(C)C)[C@@]1(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000015266774 JK Annotated Mild C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)OC1)COS(=O)(=O)O ZINC000015266799 JK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(C)c(CC=C(C)C)c1C2 ZINC000015267608 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC1(CC=C(C)C)C2=C(C=CC(C)(C)O2)C(=O)c2c1cc1cc(C)cc(O)c1c2O ZINC000015267610 JK Annotated Mild in-vitro biogenic CC(C)=CCC1(CC=C(C)C)C2=C(C(=O)c3c1cc1cc(C)cc(O)c1c3O)[C@@H](C)C(C)(C)O2 ZINC000015267614 JK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(O)cc(O)cc4[C@H]2O[C@H]3c2ccc(O)cc2)cc1 ZINC000015268223 JK Annotated Anodyne COc1cc2c(c(O)c1[C@@H](c1c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c1O)C(C)C)OCO2 ZINC000015268394 JK Annotated Anodyne O=S(=O)(O)OCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O ZINC000015269057 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCC/C=C\CCCCCCCC[C@H](O)C#CC#CC#CCO ZINC000015269220 JK Annotated Mild C#C/C=C\CCCCCCCCCC/C=C\CCCCCCC/C=C/[C@@H](O)C#CC#CCO ZINC000015269253 JK Annotated Mild C/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000015270803 JK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@@H]1C)OCO3 ZINC000015270810 JK Annotated Anodyne in-vitro biogenic CC(=O)NC(CCCC#CCC(Cl)(Cl)Cl)CCCC#CCC(Cl)(Cl)Cl ZINC000015273936 JK Annotated Mild CC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)=O ZINC000015273941 JK Annotated Anodyne O=C1CCCC2=C1[C@H](O)C[C@H](CCCCCCCCCCCCc1ccc3c(c1)OCO3)O2 ZINC000015274289 JK Annotated Mild Oc1ccc2c(ccc3c(-c4c(O)c(O)cc5c4ccc4cc(O)ccc45)c(O)c(O)cc32)c1 ZINC000015274403 JK Annotated Clean COc1cc2c(ccc3cc(O)ccc32)c(-c2c(O)c(O)cc3c2ccc2cc(O)ccc23)c1O ZINC000015274404 JK Annotated Clean COc1cc2c(ccc3cc(O)ccc32)c(-c2c(O)c(OC)cc3c2ccc2cc(O)ccc23)c1O ZINC000015274405 JK Annotated Bother COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1CCc1cc(O)ccc1-3)CCc1cc(O)ccc1-2 ZINC000015274410 JK Annotated Anodyne COc1cc(O)c(-c2c(O)cc(OC)c3c2CCc2cc(O)ccc2-3)c2c1-c1ccc(O)cc1CC2 ZINC000015274411 JK Annotated Anodyne in-vitro biogenic COc1cc(O)cc2ccc3c(-c4c(O)cc(OC)c5c4ccc4cccc(O)c45)ccc(O)c3c12 ZINC000015274413 JK Annotated Bother CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O ZINC000015277245 JK Annotated Bother CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O ZINC000015277246 JK Annotated Bother CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1 ZINC000150038158 JK Annotated Anodyne CCc1cc(Cl)c(-c2nc3c([nH]2)COCC3)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150051196 JK Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4C(F)F)c3)cnnc21 ZINC000150089222 JK Annotated Anodyne CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4F)c3)cnnc21 ZINC000150117633 JK Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(Cl)c1 ZINC000150139037 JK Annotated Anodyne CCOc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CC2)[nH]1 ZINC000150180807 JK Annotated Anodyne CCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1-c1nnc(COC(C)C)[nH]1 ZINC000150225647 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(Br)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150227467 JK Annotated Anodyne Cc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)cc1 ZINC000150232778 JK Annotated Anodyne Cc1cc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)[nH]n1 ZINC000150238853 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(-c6ccc(O)nc6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150241558 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cccc(-c6ccc(F)cc6)c5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150248998 JK Annotated Anodyne Cc1cc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)[nH]n1 ZINC000150251942 JK Annotated Anodyne COC(=O)/C=C/c1ccc2nn3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3c2c1 ZINC000150255802 JK Annotated Anodyne NC(=O)/C=C/c1ccc2nn3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3c2c1 ZINC000150258730 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6ccn[nH]6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150267415 JK Annotated Anodyne N#Cc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)cc1 ZINC000150271512 JK Annotated Anodyne CCc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)[nH]1 ZINC000150271515 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cccc(Br)c5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150272923 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(Br)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150275740 JK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(-c6ccc(F)cc6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000150277132 JK Annotated Anodyne Cc1cnc([C@H](CCC(C)C)NC(=O)Cc2ccc3oc([C@@H](O)c4c(C)noc4C)cc3c2)c(C)c1 ZINC000150279079 JK Annotated Anodyne CCc1cc(CC)c(-c2nc3c([nH]2)COCC3)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150319758 JK Annotated Anodyne CCCCCCCC[C@@H]1Sc2ccccc2-c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21 ZINC000150338633 JK Annotated Mild aggregator CCCCCCCC[C@H]1Sc2ccccc2-c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21 ZINC000150338634 JK Annotated Mild aggregator CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC[C@@H](C)C(=O)O1 ZINC000152930187 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]([C@@H](C)c4ncc(C)cc4O)[C@@]3(C)CC[C@@H]12 ZINC000152957691 JK Annotated Anodyne C=C(C(=O)C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000153055825 JK Annotated Mild CC(=O)O[C@H]1C(NC(=O)C=C(C)C)=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@@H]12 ZINC000153191186 JK Annotated Anodyne C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000153228513 JK Annotated Reactive CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]12C ZINC000153446733 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CC(=O)C4=C(C(=O)C[C@@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000153579032 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C[C@H](O)C4=C(C(=O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000153579424 JK Annotated Mild CC(C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C(=O)C(C)C)c(O)c3c2OC(C)(C)C=C3)C1=O ZINC000153944824 JK Annotated Mild CC(C)=CCC[C@H](C)C1=C(O)C(=O)C(C)=C(C2=C(C)C(=O)C(O)=C([C@@H](C)CCC=C(C)C)C2=O)C1=O ZINC000154543655 JK Annotated Mild CC(C)=CCC[C@H](C)C1=C(O)C(=O)C(C)=C(C2=C(C)C(=O)C(O)=C([C@H](C)CCC=C(C)C)C2=O)C1=O ZINC000154543776 JK Annotated Mild C[N+](C)(C)CCCCCCCCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000015607914 JK Annotated Bother CC[C@](C)(c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C)N1CCOCC1 ZINC000015636766 JK Annotated Anodyne CC[C@@](C)(c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C)N1CCOCC1 ZINC000015636768 JK Annotated Anodyne CC[C@](C)(c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C)N1CCOCC1 ZINC000015636770 JK Annotated Anodyne CC[C@@](C)(c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C)N1CCOCC1 ZINC000015636772 JK Annotated Anodyne CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000015636790 JK Annotated Anodyne CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000015636792 JK Annotated Anodyne CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000015636794 JK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@H](c1ccccc1)N1CCOCC1 ZINC000015636808 JK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@H](c1ccccc1)N1CCOCC1 ZINC000015636810 JK Annotated Anodyne Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 ZINC000015723474 JK Annotated Clean CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(I)cc3)C2=C(O)C1 ZINC000015745880 JK Annotated Anodyne Cc1ccc(C[n+]2c(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1 ZINC000015770945 JK Annotated Anodyne O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1Cl ZINC000015771327 JK Annotated Bother Cc1ccc2c(c1)[C@H]1C[N+](C)(CC(=O)c3ccccc3)CC[C@H]1N2C(=O)c1ccccc1Cl ZINC000015906284 JK Annotated Mild Cc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2cc(Cl)c(N)c(Cl)c2)cs1 ZINC000015924844 JK Annotated Anodyne Cc1ccc(CNC(=O)c2ccc(Cn3cc(-c4ccc(C)cc4)nc3-c3ccncc3)cc2)cc1 ZINC000015924914 JK Annotated Anodyne Cc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1 ZINC000015924916 JK Annotated Anodyne Cc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000015933653 JK Annotated Bother COc1ccc(/C=C/c2c(-c3ccc(OC)cc3)sc3ccc(N4CCOCC4)cc23)cc1 ZINC000015934061 JK Annotated Anodyne COc1ccc(/C=C/c2c(-c3cccc(C)c3)oc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1 ZINC000015934070 JK Annotated Anodyne COc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C#Cc2ccsc2)cc1 ZINC000015934074 JK Annotated Mild Cc1ccc(-c2csc(N3CCN(CCCn4c(C(F)(F)F)nc5ccccc54)CC3)n2)cc1 ZINC000015934842 JK Annotated Anodyne Cc1ccc(-c2csc(N(CCO)CCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1 ZINC000015934847 JK Annotated Anodyne Cc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4cc(C(F)(F)F)ccc43)n2)cc1 ZINC000015934850 JK Annotated Anodyne Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(C)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000015935163 JK Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(C)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000015935164 JK Annotated Anodyne CCCn1c([C@@H](C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000015935266 JK Annotated Anodyne CCCn1c([C@H](C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000015935267 JK Annotated Anodyne C[C@@]12C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015935733 JK Annotated Anodyne CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3c4ccccc4cc4ccccc34)s2)cc1 ZINC000015936202 JK Annotated Bother Fc1ccc(-[n+]2nc(Nc3ccccc3)sc2-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000015936218 JK Annotated Anodyne COc1cc(Br)c(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1OC ZINC000015936221 JK Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)ccc2Cl)cc1NC1CCCCCCC1 ZINC000015936234 JK Annotated Bother C[C@]12C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936693 JK Annotated Anodyne C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936701 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1ccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000015936818 JK Annotated Bother COc1cc(Br)c(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1OC ZINC000015936828 JK Annotated Anodyne COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1Br ZINC000015936830 JK Annotated Anodyne c1ccc(-[n+]2nc(Nc3cccc4ccccc34)sc2-c2c3ccccc3cc3ccccc23)cc1 ZINC000015936850 JK Annotated Bother COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(OC)c(OC)c2OC)s1 ZINC000015936894 JK Annotated Anodyne CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(OC)c(Br)c3)s2)cc1 ZINC000015936900 JK Annotated Anodyne CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3cc(OC)c(OC)cc3Br)s2)cc1 ZINC000015936901 JK Annotated Anodyne COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2c(OC)ccc3ccccc23)s1 ZINC000015936909 JK Annotated Anodyne CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(OCc4ccccc4)cc3)s2)cc1 ZINC000015936912 JK Annotated Anodyne CCCn1c([C@@H]2CCCN2c2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000015937206 JK Annotated Anodyne CCCn1c([C@H]2CCCN2c2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000015937208 JK Annotated Anodyne CCCn1c([C@@H](CO)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000015937209 JK Annotated Anodyne CCCn1c([C@H](CO)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000015937210 JK Annotated Anodyne CCCCCCc1ccc(N2C[C@H](CCCCC)[C@@H](CC(=O)NCc3ccc(OC)cc3)C2=O)cc1 ZINC000015937344 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000015937543 JK Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000015937544 JK Annotated Bother O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000015953211 JK Annotated Anodyne COc1cc(Br)ccc1[C@H]1N[C@@H](c2ccc(Br)cc2OC)CC(=O)[C@H]1C ZINC000015962762 JK Annotated Anodyne COc1cc(Br)ccc1[C@H]1N[C@@H](c2ccc(Br)cc2OC)CC(=O)[C@@H]1C ZINC000015962766 JK Annotated Anodyne COc1ccc(OC)c(/N=C(\O)[C@H]2C[C@@H]3CCCN3[C@@]23C(O)=Nc2c(C)cc(Cl)cc23)c1 ZINC000015972444 JK Annotated Mild COc1ccc(Cl)cc1/N=C(\O)[C@H]1C[C@H](C(C)C)N[C@@]12C(O)=Nc1c(C)cc(Cl)cc12 ZINC000015973147 JK Annotated Anodyne COc1ccc(Cl)cc1/N=C(\O)[C@H]1C[C@H](CCC(=N)O)N[C@@]12C(O)=Nc1c(C)cc(Cl)cc12 ZINC000015973271 JK Annotated Anodyne CC(/C=C(\NC(=O)c1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc(C)cc12)=C\c1ccccc1 ZINC000015974586 JK Annotated Clean Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2/N=C\c1ccccc1 ZINC000015978680 JK Annotated Mild COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1nc(C)c(Br)c1C ZINC000015989872 JK Annotated Mild CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 ZINC000015990204 JK Annotated Anodyne aggregator C=C(C)[C@@H](C)CCC(=C)[C@H](C)CC/C(C)=C/CC/C=C(\C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000155028494 JK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCNC(=N)N)C(CCCCC)=NC(=N1)N32 ZINC000155284862 JK Annotated Mild CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1/C(=O)c2ccccc2C2=C1C(=O)CC(C)(C)O2 ZINC000155613756 JK Annotated Mild C=C1C(=O)C[C@@H]2[C@@H](C[C@@]2(C)CO)C(=C)CC[C@H]1OC(=O)[C@H]1CC/C=C(\C)C(=O)C[C@@H]2[C@H]1CC2(C)C ZINC000155686776 JK Annotated Mild CC(C)=CCC1=C([C@@H]2CC(C)(C)OC3=C2C(=O)c2ccccc2C3=O)C(=O)c2ccccc2C1=O ZINC000156299166 JK Annotated Mild CC(C)(O)C[C@@H]1C2=C(Oc3c1c1c(c4ccccc34)OC(C)(C)C=C1)C(=O)c1ccccc1C2=O ZINC000156299316 JK Annotated Mild COc1ccc(Cl)cc1/N=C(\O)[C@H]1C[C@@H]2CCCN2[C@@]12C(O)=Nc1c(Cl)cc(C)cc12 ZINC000016033315 JK Annotated Anodyne O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 ZINC000016039116 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSCc3ccco3)c(C)[nH]c(=O)c2I)c1 ZINC000016051815 JK Annotated Anodyne in-vivo COc1ccc(N(C(=O)Nc2ccccc2Cl)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000016052060 JK Annotated Anodyne in-vivo COc1ccc(N(C(=O)Nc2ccccc2Cl)c2ccnc(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000016052743 JK Annotated Anodyne C=CCc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(F)cc1 ZINC000016195549 JK Annotated Mild CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c(C)c(C#N)c2nc3ccccc3n2c1O ZINC000016249432 JK Annotated Mild O=C1CCCC2=C1[C@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)C1=C(O)CCCC1=N2 ZINC000016265775 JK Annotated Anodyne FC(F)(F)c1ccc(/N=C/C=C(/Nc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)cc1 ZINC000016400077 JK Annotated Mild CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C(C)C ZINC000016569227 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C(C)C ZINC000016569228 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000016569241 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000016569242 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)C ZINC000016569249 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)CC(C)C ZINC000016569250 JK Annotated Anodyne CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000016569399 JK Annotated Anodyne CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000016569400 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](C)Cl ZINC000016570131 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)[C@@H](C)Cl ZINC000016570132 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)[C@H](C)Cl ZINC000016570133 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)[C@H](C)Cl ZINC000016570134 JK Annotated Reactive C(=N/c1ccc(/N=N/c2ccccc2)cc1)\C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 ZINC000016671129 JK Annotated Mild C(=N/c1ccc(/N=N/c2ccccc2)cc1)\C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 ZINC000016671131 JK Annotated Mild O/N=C1C(=C/c2ccc(Cl)c(Cl)c2)/CCC[C@@H]/1[C@@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000016953561 JK Annotated Mild CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C(=O)[C@H](C)CN12 ZINC000016957487 JK Annotated Anodyne CC(C)C(/C=C/c1ccc(Cl)cc1)=N\NC(=O)N/N=C(/C=C/c1ccc(Cl)cc1)C(C)C ZINC000016958446 JK Annotated Reactive CC[N+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000016958492 JK Annotated Bother COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000016958510 JK Annotated Anodyne C[C@@H]1[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 ZINC000016958573 JK Annotated Anodyne C(/C=C/c1ccccc1)=N/c1ccc(SSc2ccc(/N=C\C=C\c3ccccc3)cc2)cc1 ZINC000016958797 JK Annotated Reactive C[C@H]1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2 ZINC000016958973 JK Annotated Anodyne COc1ccc(OC)c2c([C@@H](O)CNC34CC5CC(CC(C5)C3)C4)cc(-c3ccc(Cl)cc3)nc12 ZINC000016975394 JK Annotated Anodyne COc1cc(Br)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CC2)cc1 ZINC000165200911 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2(CO1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000165559966 JK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]1(C)CC2 ZINC000165598871 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C[C@@H](O)[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000165727788 JK Annotated Anodyne Cc1cc(O)cc(O)c1-c1c(O)cc2oc3cc(=O)c(-c4c(C)cc(O)cc4O)c(C)c-3nc2c1C ZINC000165746494 JK Annotated Bother Cc1cc(O)cc(O)c1-c1c(N)cc2oc3cc(=O)c(-c4c(C)cc(O)cc4O)c(C)c-3nc2c1C ZINC000165796128 JK Annotated Bother CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000165853988 JK Annotated Mild C/C(C[C@@H]1CC(C)(C)Oc2c1c(=O)n(C)c1ccccc21)=C1/Cc2c(n(C)c3ccccc3c2=O)O1 ZINC000165897517 JK Annotated Anodyne C=C1CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)OC)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000165899458 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000165984130 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000165984582 JK Annotated Anodyne CCc1ccc(C)c2c1C[C@@]1(C)[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000166025463 JK Annotated Anodyne CCCc1ccc(C)c2c1C[C@@]1(C)[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000166025583 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@H](C(=C)C)[C@@H]4O)OC3)CO2)[C@H]1O ZINC000166073642 JK Annotated Mild CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000166162038 JK Annotated Mild C=C1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(O)[C@@H](C)CC[C@@H]2OC(C)(C)C(=O)CC[C@]21C ZINC000166193884 JK Annotated Mild C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@]1(O)CC[C@]1(C)[C@@H]2CC[C@H]3O[C@]2(CC[C@H]1C)OC3(C)C ZINC000166352270 JK Annotated Anodyne COc1cc(C)c2c(c1)C=C[C@@](C)(CC(=O)C[C@]1(C)CCC[C@]1(C)C(=O)/C=C\C(C)(C)O)O2 ZINC000166366525 JK Annotated Mild CC1(C)O[C@H]2CC[C@]3(C)/C(=C4\CC[C@@H]5O[C@@H](C(C)(C)O)CC[C@@]5(C)C4)CC[C@H]3[C@]2(C)CC[C@@H]1O ZINC000166373513 JK Annotated Anodyne CC1(C)O[C@H]2CC[C@]3(C)/C(=C4\CC[C@@H]5O[C@@H](C(C)(C)O)CC[C@@]5(C)C4)CC[C@@H]3[C@]2(C)CC[C@@H]1O ZINC000166373633 JK Annotated Anodyne O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)CSc1cc(Cl)c(Cl)cc1-2 ZINC000166384326 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)CSc1c-2ccc(Cl)c1Cl ZINC000166384450 JK Annotated Mild O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1nc2c(s1)CSc1c-2ccc(Cl)c1Cl ZINC000166384693 JK Annotated Mild CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)CC[C@@H]1Cl ZINC000166479978 JK Annotated Reactive C=C[C@]1(C)CC[C@@H](Br)[C@](C)(CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]2(C)O)O1 ZINC000166569558 JK Annotated Reactive CC[C@@H]1O[C@@]1(C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C/C(C)=C/Cc1[nH]c(OC)c(OC)c(=O)c1C ZINC000166609254 JK Annotated Anodyne CO[C@H]1C[C@@]2(OC(C[C@]3(C)CCc4cc(O)cc(C)c4O3)=C[C@@]3(C)CCC[C@]32C)OC1(C)C ZINC000166673011 JK Annotated Anodyne CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C5C(=O)O[C@@H](OC(C)=O)[C@@H]54)[C@]3(C)CC[C@@H]12 ZINC000166754405 JK Annotated Anodyne CC(=O)O[C@H](C/C=C1/C[C@H](C=C(C)C)OC1=O)/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1 ZINC000166774540 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](O)C(C)(C)O3)O2)c1 ZINC000166783779 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](OC)C(C)(C)O3)O2)c1 ZINC000166783900 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](O)C(C)(C)O3)O2)c1 ZINC000166784261 JK Annotated Anodyne CO[C@@H]1C[C@]2(OC(C/C(C)=C/CC3=CC(=O)C=C(C)C3=O)=C[C@]3(C)CCC[C@@]32C)OC1(C)C ZINC000166784402 JK Annotated Mild COc1cc(C)c(OC)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C=CC(C)(C)O3)O2)c1 ZINC000166784541 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](OC)C(C)(C)O3)O2)c1 ZINC000166784669 JK Annotated Anodyne COc1ccc(C(=O)Nc2cc([C@@H](C)Nc3nccc4c(C(N)=O)cccc34)ccc2F)cc1F ZINC000166953020 JK Annotated Anodyne COCCNC(=O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1 ZINC000166968858 JK Annotated Anodyne COc1ccc(Cc2cc(C(=O)C(=O)Nc3c(Cl)cncc3Cl)c3cc(Cl)ccn23)cc1 ZINC000167661740 JK Annotated Anodyne CCN(CC)Cc1cc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)ccc1O ZINC000167720138 JK Annotated Reactive in-vivo O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccc(Cl)cc12 ZINC000168143976 JK Annotated Anodyne C/C(=C\C[C@@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000168178976 JK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000168179140 JK Annotated Clean CC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1 ZINC000168282187 JK Annotated Anodyne NC(=O)c1cc(-c2cccnc2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000168319804 JK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccc(F)cc12 ZINC000168336111 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3ccc(Br)cc3C)cc2)c(CC)c1CC(=O)O ZINC000168882689 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3cc(C)ccc3Br)cc2)c(CC)c1CC(=O)O ZINC000168883579 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3cccc(C)c3Br)cc2)c(CC)c1CC(=O)O ZINC000168886267 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3cccc(C)c3CC(C)C)cc2)c(CC)c1CC(=O)O ZINC000168887515 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3ccccc3C3CCCCC3)cc2)c(CC)c1CC(=O)O ZINC000168889699 JK Annotated Anodyne CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C(C)C)c1CC(=O)O ZINC000168901055 JK Annotated Anodyne CCc1c(CC(=O)O)c(C2CC2)nn1Cc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1 ZINC000168903526 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)c(C2CC2)c1CC(=O)O ZINC000168905136 JK Annotated Anodyne N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4CCO5)CC3)CC2)cc1 ZINC000168928946 JK Annotated Mild CCc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@@H](c4ccccc4)CC3)cc2)c(CC)c1CC(=O)O ZINC000168941031 JK Annotated Anodyne CCc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)cc2)c(CC)c1CC(=O)O ZINC000168941133 JK Annotated Anodyne CCc1nn(Cc2ccc(OCc3ccc(OC)c(C(F)(F)F)c3)cc2)c(CC)c1CC(=O)O ZINC000168953133 JK Annotated Anodyne CCc1nn([C@@H](C)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O ZINC000168958045 JK Annotated Anodyne CCc1nn([C@H](C)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O ZINC000168958132 JK Annotated Anodyne CCc1nn(Cc2ccc([S@@](=O)Cc3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(=O)O ZINC000168959250 JK Annotated Anodyne CCc1nn(Cc2ccc([S@](=O)Cc3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(=O)O ZINC000168959341 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000168993888 JK Annotated Reactive O=C(CC1CCOCC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4occc34)CC2)CC1 ZINC000169022076 JK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3ccc(F)c4occc34)CC2)CC1)C1CCOCC1 ZINC000169023892 JK Annotated Anodyne O=C(CC1CCOCC1)N[C@@H]1CC[C@@H](CCN2CCC(c3ccc(F)c4occc34)CC2)CC1 ZINC000169065376 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC2(CCC3(CC2)OCC(C)(C)CO3)OC1=O ZINC000169113058 JK Annotated Anodyne CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2)C1=O ZINC000169136647 JK Annotated Anodyne Cc1cc(-c2cc(Cl)cnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)ccn1 ZINC000169150486 JK Annotated Anodyne CCc1cn(-c2ccc(C(N)=O)c(NCCCCO)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169223991 JK Annotated Anodyne CC(C)(C)n1c(-c2cccc(F)n2)nc2cc(-c3cnc(NCc4cccc(F)n4)nc3)ccc21 ZINC000169253881 JK Annotated Anodyne O=S(=O)(NCC[C@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000169289578 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169290231 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H](c2ccccc2C)N1N=O ZINC000169290268 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2C)N1N=O ZINC000169290269 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H](c2ccccc2C)N1N=O ZINC000169290270 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H](c2ccccc2OC)N1N=O ZINC000169290271 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2OC)N1N=O ZINC000169290272 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H](c2ccccc2OC)N1N=O ZINC000169290273 JK Annotated Anodyne CC(=O)/C=C\C(=O)/C(C)=C/C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000169290275 JK Annotated Mild N#CN1[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000169290366 JK Annotated Anodyne N#CN1[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000169290367 JK Annotated Anodyne N#CN1[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000169290368 JK Annotated Anodyne N#CN1[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000169290370 JK Annotated Anodyne N#CN1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000169290371 JK Annotated Anodyne N#CN1[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000169290372 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H](c2ccccc2C)N1C#N ZINC000169290375 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2C)N1C#N ZINC000169290376 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H](c2ccccc2C)N1C#N ZINC000169290377 JK Annotated Anodyne CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290380 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290381 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290382 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290383 JK Annotated Mild COc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@H](c3ccccc3)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000169290395 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@@H](c3ccccc3)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000169290396 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@@H](c3ccccc3)[C@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000169290397 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@H](c3ccccc3)[C@@H](c3ccc(C)cc3)N2N=O)cc1 ZINC000169290412 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@@H](c3ccccc3)[C@@H](c3ccc(C)cc3)N2N=O)cc1 ZINC000169290413 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@@H](c3ccccc3)[C@H](c3ccc(C)cc3)N2N=O)cc1 ZINC000169290414 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169290520 JK Annotated Anodyne c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169290521 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@H]1CCN[C@@H]2CCCC[C@@H]12 ZINC000169290522 JK Annotated Anodyne c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCCN[C@H]1CCN[C@@H]2CCCC[C@@H]12 ZINC000169290523 JK Annotated Anodyne NCCN1CCC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169290637 JK Annotated Anodyne CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)CC(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290735 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)CC(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290736 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)CC(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290737 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)CC(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169290738 JK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000169290777 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000169290778 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000169290779 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000169290780 JK Annotated Anodyne CC(/C=C/C=C(\C)C(=O)O)=C\C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000169290920 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@@H](C)[C@@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000169290989 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)[C@@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000169290990 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@H](C)[C@@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000169290991 JK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)[C@@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000169290992 JK Annotated Mild NC(=O)CN1CCC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169291002 JK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291252 JK Annotated Anodyne COc1ccc([C@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291253 JK Annotated Anodyne Cc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291359 JK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291361 JK Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@H](OC(=O)C=C(C)C)[C@@]12C ZINC000169291685 JK Annotated Anodyne COc1ccc2c(c1)S[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291779 JK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291780 JK Annotated Anodyne COc1ccc2c(c1)S[C@@H](c1ccc(Cl)cc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291782 JK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291783 JK Annotated Anodyne Cc1ccc2c(c1)S[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291805 JK Annotated Anodyne Cc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291806 JK Annotated Anodyne Cc1ccc2c(c1)S[C@@H](c1ccc(Cl)cc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291807 JK Annotated Anodyne Cc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291809 JK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\C=O)[C@@]3(C)CC[C@H]21 ZINC000169291895 JK Annotated Reactive C/C1=C/C/C=C\C/C(CC(=O)O)=C\C(=O)O[C@@H]2C[C@@H](C1)O[C@@](O)(CC/C(C)=C/Cc1ccccc1)C2 ZINC000169291923 JK Annotated Anodyne C/C(=C\Cc1ccccc1)CC[C@@]1(O)C[C@H]2C[C@@H](C/C(C)=C/C/C=C\C/C(CC(=O)O)=C\C(=O)O2)O1 ZINC000169291924 JK Annotated Anodyne C/C1=C/C/C=C/C/C(CC(=O)O)=C\C(=O)O[C@@H]2C[C@@H](C1)O[C@@](O)(CC/C(C)=C/Cc1ccccc1)C2 ZINC000169291925 JK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169292000 JK Annotated Anodyne COc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169292001 JK Annotated Anodyne Cc1cc(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)cc(C)c4C[C@@H]3CC(C)(C)/C=C\C[C@@]1(C)C2 ZINC000169292233 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169292290 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169292291 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)CCN3CCCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000169292467 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)CCN3CCCCC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000169292468 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000169292485 JK Annotated Anodyne C/C1=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(\C)CC/C=C(\C)CC2)CC/C(C)=C/CC1 ZINC000169292571 JK Annotated Anodyne C/C1=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(\C)CC/C=C(\C)CC2)CC/C(C)=C\CC1 ZINC000169292572 JK Annotated Anodyne C/C1=C\C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(\C)CC/C=C(\C)CC2)CC/C(C)=C/CC1 ZINC000169292573 JK Annotated Anodyne C/C1=C/CC/C(C)=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(\C)CC/C=C(\C)CC2)CC1 ZINC000169292574 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000169292606 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000169292607 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccncc1 ZINC000169292889 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000169292967 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccncc1 ZINC000169292968 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000169292994 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccccc1 ZINC000169292995 JK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCc1cccc2ccccc12 ZINC000169293049 JK Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293215 JK Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293216 JK Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293217 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@](C1)(C5)[C@@H]42 ZINC000169293235 JK Annotated Anodyne O[C@@H]1/C=C/C=C\CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@](C1)(C5)[C@@H]42 ZINC000169293236 JK Annotated Anodyne O[C@@H]1/C=C\C=C\CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@](C1)(C5)[C@@H]42 ZINC000169293237 JK Annotated Anodyne O[C@@H]1/C=C/C=C/CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@](C1)(C5)[C@@H]42 ZINC000169293238 JK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)/C=C\c1cccc(OC)c1Oc1cccc(c1)CC2 ZINC000169293301 JK Annotated Anodyne OCCN1CCC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169293304 JK Annotated Anodyne CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)[C@@H](O)C/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169293415 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169293416 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)C/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169293417 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)[C@@H](O)C/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169293418 JK Annotated Mild NC(=O)CN1CCC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169293430 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)O[C@@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169293616 JK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169293617 JK Annotated Anodyne CCC[C@@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000169293664 JK Annotated Anodyne CCC[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000169293665 JK Annotated Anodyne C[C@@]12C[C@](C)(C=C1/C=C/c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000169293675 JK Annotated Anodyne C[C@@]12C=C(/C=C/c3ccc(C(F)(F)F)cc3)[C@](C)(C1)[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000169293677 JK Annotated Anodyne CCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293726 JK Annotated Anodyne CCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169293727 JK Annotated Anodyne CCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169293728 JK Annotated Anodyne C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](n3ccc4cc(NC(=O)c5ccco5)ccc43)CC2)CC1 ZINC000169293872 JK Annotated Mild NCCN1CCC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169294150 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@]1(C)CCc2cc(OCC(=O)O)c(F)cc2O1 ZINC000169294607 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@]1(C)CCc2cc(OCC(=O)O)c(F)cc2O1 ZINC000169294608 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@@]1(C)CCc2cc(OCC(=O)O)c(F)cc2O1 ZINC000169294609 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@]1(C)CCc2cc(OCC(=O)O)c(F)cc2O1 ZINC000169294610 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000169294788 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000169294790 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000169294791 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000169294793 JK Annotated Anodyne C=CCc1cccc([C@@H]2[C@@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4cccc(CC=C)c4)C(=O)N23)c1 ZINC000169294886 JK Annotated Mild C=CCc1cccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@H](C)[C@@H]4c4cccc(CC=C)c4)C(=O)N32)c1 ZINC000169294887 JK Annotated Mild C=CCc1cccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4cccc(CC=C)c4)C(=O)N23)c1 ZINC000169294890 JK Annotated Mild C=CCc1cccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@@H](C)[C@@H]4c4cccc(CC=C)c4)C(=O)N32)c1 ZINC000169294892 JK Annotated Mild C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169295101 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169295102 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169295103 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169295104 JK Annotated Anodyne Cc1ccc(C[C@@H]2CN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000169295175 JK Annotated Anodyne Cc1ccc(C[C@H]2CN(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000169295176 JK Annotated Anodyne Cc1ccc(C[C@@H]2CN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000169295177 JK Annotated Anodyne Cc1ccc(C[C@H]2CN(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000169295178 JK Annotated Anodyne ON=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000169295869 JK Annotated Mild CC(C)CC(O)(CC(C)C)[C@@H]1C=C/C=C(\CO)C2=C([C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1 ZINC000169295936 JK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1/C=C/C=C(\CO)C2=C([C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1 ZINC000169295937 JK Annotated Anodyne CC(C)(CN1C[C@@H]2CC[C@@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000169296002 JK Annotated Anodyne CC(C)(CN1C[C@H]2CC[C@@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000169296003 JK Annotated Anodyne CN1C[C@@](O)(c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169296058 JK Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169296059 JK Annotated Anodyne CON=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000169296060 JK Annotated Mild CON=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000169296061 JK Annotated Mild Cc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169296105 JK Annotated Anodyne Cc1ccc(-c2c([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169296107 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169296110 JK Annotated Anodyne Cc1ccc(-c2c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169296111 JK Annotated Anodyne C[C@H]1C(=NOCc2ccccc2)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169296318 JK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000169297423 JK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000169297424 JK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000169297428 JK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000169297430 JK Annotated Anodyne C[C@H]1C(=NOCc2ccccc2)[C@H](C)[C@@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000169298557 JK Annotated Mild COc1ccc([C@H]2/C=C/CN(C(=O)C3CCCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169298640 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169298719 JK Annotated Anodyne CCN(CC)CCCN1CCC2(N3CCN(C)CC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169298863 JK Annotated Anodyne CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000169299153 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@@H](O)[C@@]2(C)CO[C@@]4(C)CC[C@@H]2C4)[C@@H]1N5[C@@H]3O ZINC000169299253 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@@H](O)[C@@]2(C)CO[C@@]4(C)CC[C@@H]2C4)[C@@H]1N5[C@@H]3O ZINC000169299254 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H](O)[C@@]2(C)CO[C@@]4(C)CC[C@@H]2C4)[C@@H]1N5[C@@H]3O ZINC000169299255 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H](O)[C@@]2(C)CO[C@@]4(C)CC[C@@H]2C4)[C@@H]1N5[C@@H]3O ZINC000169299256 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccco3)s1)C2 ZINC000169299306 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccco3)s1)C2 ZINC000169299308 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccco3)s1)C2 ZINC000169299309 JK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccco3)s1)C2 ZINC000169299310 JK Annotated Anodyne Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000169299311 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000169299312 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000169299313 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000169299315 JK Annotated Reactive C1=C\Cc2ccc[n+](c2)CCCCCCCC/C=C/Cc2ccc[n+](c2)CCCCCCCC/1 ZINC000169299487 JK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169299548 JK Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169299549 JK Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169299550 JK Annotated Anodyne CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2 ZINC000169299560 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2 ZINC000169299561 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1)N2 ZINC000169299562 JK Annotated Reactive C[C@@]12C[C@](C)(C=C1/C=C/c1ccc(Br)cc1)C(=O)C[C@@H]2c1ccc(Br)cc1 ZINC000169299675 JK Annotated Anodyne C[C@@]12C=C(/C=C/c3ccc(Br)cc3)[C@](C)(C1)[C@@H](c1ccc(Br)cc1)CC2=O ZINC000169299676 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H]1[C@H](CNCCCNCCCNCCCNC[C@H]1CC[C@H]3CC[C@H]1C3(C)C)CC2 ZINC000169299836 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H]1[C@H](CNCCCNCCCNCCCNC[C@H]1CC[C@@H]3CC[C@H]1C3(C)C)CC2 ZINC000169299837 JK Annotated Anodyne CC1=C[C@@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300012 JK Annotated Mild CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300013 JK Annotated Mild CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169300014 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000169300015 JK Annotated Mild O=C(C1CCCCC1)N1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169300106 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000169300282 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000169300283 JK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000169300450 JK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12 ZINC000169300451 JK Annotated Anodyne c1ccc(CN2CCC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169300843 JK Annotated Anodyne C[C@@H]1/C(=N/Nc2nc3ccccc3s2)C[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000169301838 JK Annotated Mild COc1ccc([C@@H]2/C=C/CN(CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169301916 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000169301939 JK Annotated Bother CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3O)[C@@H]12 ZINC000169302001 JK Annotated Clean CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccc(O)cc3)[C@@H]12 ZINC000169302031 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3Cl)[C@@H]12 ZINC000169302033 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccc(Cl)cc3)[C@@H]12 ZINC000169302035 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000169302078 JK Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000169302079 JK Annotated Mild C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](NCCCCN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000169302284 JK Annotated Anodyne C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](NCCCCN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000169302285 JK Annotated Anodyne CC(=O)OC[C@@H](C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302361 JK Annotated Anodyne CC(=O)OC[C@@H](C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302364 JK Annotated Anodyne CC(=O)OC[C@H](C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302366 JK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000169302478 JK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccccc5[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302501 JK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Nc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302502 JK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C ZINC000169302507 JK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)c5ccc(Cl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302552 JK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)Nc5ccc(F)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302561 JK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)Nc5ccc(Cl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302562 JK Annotated Mild CC(=O)[C@@]1(OC(=O)Nc2ccc(F)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302571 JK Annotated Mild CC(=O)[C@@]1(OC(=O)Nc2ccc(Cl)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302572 JK Annotated Mild FC(F)(F)c1ccccc1-c1nc(NCC2CCN(c3cccnc3)CC2)c2ccccc2n1 ZINC000169302764 JK Annotated Anodyne c1ccc(CCN2CCC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169302772 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(N(C)C)cc3)CC2=N1 ZINC000169303084 JK Annotated Anodyne FC(F)(F)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2sccc2n1 ZINC000169303115 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc(F)c1OCC ZINC000169303121 JK Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(C)cc4)C(=O)[C@H]3[C@H]1C[C@@H]2C(C)C ZINC000169303164 JK Annotated Mild CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(C)cc4)C(=O)[C@@H]3[C@H]1C[C@@H]2C(C)C ZINC000169303165 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000169303166 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@H]21 ZINC000169303167 JK Annotated Mild COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000169303607 JK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]2CC)n1 ZINC000169303659 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2CC)n1 ZINC000169303662 JK Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2C(F)(F)F)c1C(=O)NCCc1cccs1 ZINC000169303702 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000169303947 JK Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OS(=O)(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000169303949 JK Annotated Mild Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CNc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000169303954 JK Annotated Mild Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CNc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000169303955 JK Annotated Mild CCCc1cc2c(n1Cc1ccc(C)cc1)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169303977 JK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(C)cc1)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169303978 JK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(C)cc1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169303981 JK Annotated Anodyne Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccnc(C(F)(F)F)c2)cc1 ZINC000169304024 JK Annotated Anodyne CCNC1=N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000169304177 JK Annotated Anodyne CCNC1=N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000169304178 JK Annotated Anodyne N#Cc1c(-c2ccccc2C(F)(F)F)nc2ccccc2c1NCc1ccc(-c2cccnc2)cc1 ZINC000169304354 JK Annotated Mild C[C@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@]12[C@H]1C(=O)CC(=O)[C@H](C)[C@@]1(C)CC[C@@H]23 ZINC000169304406 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(C)n2)cc1OCC ZINC000169304734 JK Annotated Anodyne CCC[N+]1(C/C2=C\CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000169304846 JK Annotated Bother CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000169304968 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000169304970 JK Annotated Mild CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(F)cc3)CC2=N1 ZINC000169305520 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(F)cc3)CC2=N1 ZINC000169305521 JK Annotated Anodyne Cc1ccc(-c2ccc(CNc3nc(-c4ccccc4C(C)C)nc4ccsc34)cc2)cn1 ZINC000169305530 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(Cc3ccc(N(C)C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169305858 JK Annotated Clean O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000169305887 JK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000169305888 JK Annotated Anodyne COc1ccc(CN([C@H]2CC(=O)c3ccccc32)[C@@H]2CCc3ccccc3C2)c(OC)c1OC ZINC000169306228 JK Annotated Anodyne CC1=C[C@@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169306394 JK Annotated Mild CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169306395 JK Annotated Mild CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169306396 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]21 ZINC000169306398 JK Annotated Mild Cc1cccc2nc(-c3cccc(-c4cccc(C(=O)N5CCCC[C@@H]5CN5CC[C@@H](O)C5)c4)c3)[nH]c12 ZINC000169306509 JK Annotated Anodyne Cc1cccc2nc(-c3cccc(-c4cccc(C(=O)N5CCCC[C@H]5CN5CC[C@@H](O)C5)c4)c3)[nH]c12 ZINC000169306510 JK Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169306520 JK Annotated Mild CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169306521 JK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(O)c(OC)c(OC)c(Br)c1C[C@H](C)[C@H](C)C2 ZINC000169306782 JK Annotated Anodyne Cc1ccccc1[C@@H]1C[C@H](N2CCOCC2)CC[C@H]1c1cc(C(c2ccccc2)c2ccccc2)n[nH]1 ZINC000169306834 JK Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc3ccccc3c2)no1)C(F)(F)F ZINC000169307037 JK Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc3ccccc3c2)no1)C(F)(F)F ZINC000169307039 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3nn4cc(-c5ccccc5)nc4s3)nc12 ZINC000169307141 JK Annotated Anodyne c1ccc(C(c2ccccc2)c2nnc(-c3sc4ccccc4c3OC3CCNCC3)o2)cc1 ZINC000169307418 JK Annotated Anodyne Cc1cc2nc(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)[nH]c2cc1C ZINC000169307435 JK Annotated Anodyne CCOC(=O)c1cnc2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1O ZINC000169307554 JK Annotated Bother Clc1ccc(CN[C@@H](c2ccc[nH]2)c2nnc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000169307916 JK Annotated Anodyne Clc1ccc(CN[C@H](c2ccc[nH]2)c2nnc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000169307917 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169307931 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169307932 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169307934 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000169307935 JK Annotated Anodyne C#CCn1cc(C(=O)OCC)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21 ZINC000169307946 JK Annotated Mild CCOC(=O)c1cn(CC)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1=O ZINC000169307952 JK Annotated Bother C#CCn1cc(C(=O)OCC)c(=O)c2c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3ccc21 ZINC000169307956 JK Annotated Mild c1ccc([C@H]2CC3(N4CCCCC4)CCN(CCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169308036 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/CCCCCCCCCCCC/N=C1\C[C@H]3CC[C@]1(C)C3(C)C)C2 ZINC000169308292 JK Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/c1ccc(Cc3ccc(/N=C4\C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2 ZINC000169308293 JK Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/c1ccc(Oc3ccc(/N=C4\C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2 ZINC000169308294 JK Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCCCCCCCCCCCCN[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 ZINC000169308297 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Nc1ccc(Cc3ccc(N[C@@H]4C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2 ZINC000169308298 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Nc1ccc(Oc3ccc(N[C@@H]4C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2 ZINC000169308300 JK Annotated Anodyne CCOC(=O)[C@]1(N)[C@H]2C[C@H](c3cccc(Nc4ccc(N)cc4)c3)[C@H](C2)[C@@H]1Sc1ccccc1 ZINC000169308346 JK Annotated Clean CCOC(=O)[C@@]1(N)[C@@H](Sc2ccccc2)[C@@H]2C[C@@H](c3cccc(Nc4ccc(N)cc4)c3)[C@H]1C2 ZINC000169308348 JK Annotated Clean CCOC(=O)[C@]1(N)[C@H]2C[C@H](c3cccc(Nc4ccc(N)cc4)c3)[C@H](C2)[C@H]1Sc1ccccc1 ZINC000169308349 JK Annotated Clean CCOC(=O)[C@]1(N)[C@@H]2C[C@@H](C[C@H]2c2cccc(Nc3ccc(N)cc3)c2)[C@H]1Sc1ccccc1 ZINC000169308350 JK Annotated Clean CCOC(=O)[C@@]1(N)[C@H]2C[C@H](c3cccc(Nc4ccc(N)cc4)c3)[C@H](C2)[C@@H]1Sc1ccccc1 ZINC000169308351 JK Annotated Clean CCOC(=O)[C@]1(N)[C@@H](Sc2ccccc2)[C@@H]2C[C@@H](c3cccc(Nc4ccc(N)cc4)c3)[C@H]1C2 ZINC000169308352 JK Annotated Clean C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccc4c(c3)Cc3ccccc3-4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308379 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(OCc3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308396 JK Annotated Reactive O=C(O)c1cn(CC(F)(F)F)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O ZINC000169308505 JK Annotated Bother CCCCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3ccc21 ZINC000169308519 JK Annotated Bother Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(Cl)sc12 ZINC000169308843 JK Annotated Anodyne Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308844 JK Annotated Anodyne Cc1nn(-c2c(F)cccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308848 JK Annotated Anodyne Cc1cc(SCc2nc3ccccc3s2)nc(SCc2nc3ccccc3s2)n1 ZINC000169308885 JK Annotated Anodyne C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1/C=C\c1ccccc1)N(Cc1ccccc1)C2=O ZINC000169309020 JK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1/C=C\c1ccccc1)N(Cc1ccccc1)C2=O ZINC000169309022 JK Annotated Anodyne CCCc1c(Cl)c(O)c(Cl)c2c1Oc1c(Cl)c(O)c(Cl)c(CCC)c1C(=O)O2 ZINC000169309040 JK Annotated Anodyne CCCc1c(Cl)c(OC)c(Cl)c2c1Oc1c(Cl)c(O)c(Cl)c(CCC)c1C(=O)O2 ZINC000169309042 JK Annotated Anodyne CCCc1c(Cl)c(OC)c(Cl)c2c1OC(=O)c1c(CCC)c(Cl)c(O)c(Cl)c1O2 ZINC000169309046 JK Annotated Anodyne CCCc1c(Cl)c(O)c(Cl)c2c1OC(=O)c1c(CCC)c(Cl)c(O)c(Cl)c1O2 ZINC000169309051 JK Annotated Anodyne O=[P@@](O)(Oc1ccccc1)C(O)(c1ccc(Br)cc1)[P@@](=O)(O)Oc1ccccc1 ZINC000169309276 JK Annotated Anodyne CCCCCCCCn1cc(CO[C@@]2(C(F)(F)F)Oc3ccccc3C=C2C(=O)OCC)nn1 ZINC000169309342 JK Annotated Mild CCCCCCCCn1cc(CO[C@]2(C(F)(F)F)Oc3ccccc3C=C2C(=O)OCC)nn1 ZINC000169309344 JK Annotated Mild CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(F)cc2)no1)C(F)(F)F ZINC000169309364 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(F)cc2)no1)C(F)(F)F ZINC000169309365 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc3ccccc3c2)no1)C(F)(F)F ZINC000169309369 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc3ccccc3c2)no1)C(F)(F)F ZINC000169309370 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(C)cc2)no1)C(F)(F)F ZINC000169309371 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(C)cc2)no1)C(F)(F)F ZINC000169309372 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F ZINC000169309373 JK Annotated Bother CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F ZINC000169309374 JK Annotated Bother CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(F)cc2F)no1)C(F)(F)F ZINC000169309375 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(F)cc2F)no1)C(F)(F)F ZINC000169309376 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(OC)cc2)no1)C(F)(F)F ZINC000169309377 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(OC)cc2)no1)C(F)(F)F ZINC000169309378 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000169309381 JK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000169309382 JK Annotated Anodyne COC(=O)/C(C)=C/c1ccc(Oc2ccccc2N/C(=N/c2ccccc2)NCc2ccccc2)cc1 ZINC000169309606 JK Annotated Mild COC(=O)/C(C)=C/c1ccc(Oc2ccccc2N/C(=N/c2cccc(Cl)c2)NC2CC2)cc1 ZINC000169309612 JK Annotated Mild O=C(O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)F ZINC000169309666 JK Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)F ZINC000169309668 JK Annotated Anodyne C=C(C)[C@@H]1C[C@@H]2O[C@@]1(CCC(=O)O)CC1=C2[C@]2(C)CC[C@H]([C@H](C)CCC(=O)OC)[C@@]2(C)CC1=O ZINC000169309813 JK Annotated Mild C=C(C)[C@@H]1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000169309815 JK Annotated Mild C=C(C)[C@@H]1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000169309817 JK Annotated Mild C=C(C)[C@@H]1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000169309819 JK Annotated Mild CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N[C@H](C)c3ccc(Br)cc3)cc21 ZINC000169309931 JK Annotated Anodyne CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N[C@H](C)c3ccc4ccccc4c3)cc21 ZINC000169309932 JK Annotated Anodyne COc1nc(OCCF)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 ZINC000169310202 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169310568 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169310570 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CC[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169310571 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169310573 JK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 ZINC000169310624 JK Annotated Reactive Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 ZINC000169310625 JK Annotated Reactive Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310626 JK Annotated Reactive Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310627 JK Annotated Reactive Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CC(C)(C)C4)c2Cl)cc1 ZINC000169310629 JK Annotated Reactive Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CC(C)(C)C4)c2Cl)cc1 ZINC000169310630 JK Annotated Reactive O=C(c1ccccc1)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169310808 JK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169310814 JK Annotated Anodyne O=C1Nc2cc(Br)ccc2[C@]12[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169310815 JK Annotated Anodyne COc1ccc(C2=NN(c3ccccc3)[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2c2ccccc2)cc1 ZINC000169310819 JK Annotated Anodyne CC(C)(C)C1=NN(c2ccccc2)[C@]2(C(=O)Nc3cc(Br)ccc32)[C@H]1c1ccccc1 ZINC000169310823 JK Annotated Anodyne COc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@]23C(=O)Nc2cc(Cl)ccc23)cc1 ZINC000169310824 JK Annotated Anodyne CCCCCCCCCCC/C(Nc1ccc(N)cc1)=C1\C(=O)CN(CCCCCC)C1=O ZINC000169310887 JK Annotated Mild CCCCCCCCCC/C(NCCCOC(C)C)=C1\C(=O)[C@@H](CCSC)N(C(C)=O)C1=O ZINC000169310893 JK Annotated Mild CCCCCCCCCC/C(NCCCOC(C)C)=C1\C(=O)[C@H](CCSC)N(C(C)=O)C1=O ZINC000169310894 JK Annotated Mild CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311086 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311087 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311089 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311091 JK Annotated Clean COc1cc(/C=C/c2cc(OC)c3ccn(C)c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311108 JK Annotated Anodyne O=C(Nc1ccccc1)N(Cc1ccc(Br)cc1O)c1cc(-c2ccccc2)[nH]n1 ZINC000169311261 JK Annotated Clean CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H](N=[N+]=[N-])C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000169311381 JK Annotated Clean CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C=C(N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000169311382 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3F)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311465 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311467 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311468 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311469 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cccc3c2ccn3Cc2cccc(F)c2)c2c1C=CC(C)(C)O2 ZINC000169311481 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cccc3c2ccn3Cc2cccc(Cl)c2)c2c1C=CC(C)(C)O2 ZINC000169311482 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cccc3ccn(Cc4cccc(F)c4)c23)c2c1C=CC(C)(C)O2 ZINC000169311494 JK Annotated Mild C/C(=C\C[C@@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169311594 JK Annotated Clean C/C(=C\C[C@@]12O[C@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169311596 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311605 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311606 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311608 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311609 JK Annotated Clean COc1ccc(C(=O)/C=C/c2cccc3ccn(Cc4cccc(Cl)c4)c23)c2c1C=CC(C)(C)O2 ZINC000169311860 JK Annotated Mild C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(Cc3ccccc3)o2)C1=O ZINC000169311886 JK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(-c3cc(F)cc(F)c3)o2)C1=O ZINC000169311893 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](F)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311914 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](F)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311915 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@@H](F)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311916 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@@H](F)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169311917 JK Annotated Clean COc1cc(OC)c2ccc(=O)oc2c1/C=C/[C@H]1C[C@@H](C=C(C)C)c2c(c3ccccc3n(C)c2=O)O1 ZINC000169311937 JK Annotated Anodyne O=[N+]([O-])c1cc(/N=N/Nc2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)ccc1F ZINC000169312070 JK Annotated Clean c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312222 JK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312223 JK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312224 JK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312225 JK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312232 JK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312233 JK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312234 JK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312235 JK Annotated Anodyne C/C(=C\C[C@@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312249 JK Annotated Clean C/C(=C\C[C@@]12O[C@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312251 JK Annotated Clean C/C(=C\C[C@]12O[C@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312252 JK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312303 JK Annotated Mild C/C(=C\C[C@@]12O[C@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312306 JK Annotated Mild C/C(=C\C[C@]12O[C@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312307 JK Annotated Mild N#Cc1c(N)nc(SCc2csc(C3CCCCC3)n2)nc1-c1ccc2c(c1)OCO2 ZINC000169312323 JK Annotated Mild O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc(Cl)cc12 ZINC000169312642 JK Annotated Mild COc1ccc2c(c1)c(C(=O)/C=C(\O)C(=O)O)cn2Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000169312660 JK Annotated Mild O=C1OCC(C(=O)c2cn(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c3ccc(F)cc23)=C1O ZINC000169312676 JK Annotated Mild COc1ccc2c(c1)c(C(=O)C1=C(O)C(=O)OC1)cn2Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000169312682 JK Annotated Mild CC[C@@H](C)Sc1nc2c(cc(-c3ccc(Br)cc3)n2-c2ccccc2)c(=N)s1 ZINC000169313052 JK Annotated Anodyne CC[C@H](C)Sc1nc2c(cc(-c3ccc(Br)cc3)n2-c2ccccc2)c(=N)s1 ZINC000169313053 JK Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2nc3cccc(C(=O)O)c3s2)cn1 ZINC000169313079 JK Annotated Anodyne COc1c(Cl)c2c(c(OC)c1OC)-c1c(c(Cl)c3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000169313203 JK Annotated Anodyne COc1c(Br)c2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000169313206 JK Annotated Anodyne COc1c(O)c2c(c(Cl)c1OC)C[C@H](C)[C@H](C)Cc1c(Cl)c(OC)c(OC)c(OC)c1-2 ZINC000169313212 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1 ZINC000169313997 JK Annotated Anodyne CCC(=O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)O1 ZINC000169314387 JK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)C[C@@](O)(CC)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314392 JK Annotated Anodyne C[C@@H]1[C@H]2Cc3ccc(OC(=O)c4ccco4)cc3[C@@]1(c1ccccc1)CCN2C(=O)c1ccco1 ZINC000169315299 JK Annotated Anodyne C[C@H]1[C@H]2Cc3ccc(OC(=O)c4ccco4)cc3[C@@]1(c1ccccc1)CCN2C(=O)c1ccco1 ZINC000169315300 JK Annotated Anodyne CC(C)c1ccc(CCCC(CCCc2ccc(C(C)C)cc2)NCCCNCCCN)cc1 ZINC000169315409 JK Annotated Anodyne CC(C)c1ccc(CCCC(CCCc2ccc(C(C)C)cc2)NCCNCCNCCN)cc1 ZINC000169315412 JK Annotated Anodyne CC(C)(C)c1ccc(CCCC(CCCc2ccc(C(C)(C)C)cc2)NCCCNCCCN)cc1 ZINC000169315414 JK Annotated Anodyne CCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169316240 JK Annotated Anodyne CCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169316242 JK Annotated Anodyne CCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169316245 JK Annotated Anodyne Fc1ccc(C2=C[C@@H]3CC[C@@H](C2)N3CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000169316268 JK Annotated Anodyne C[C@@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccc(Cl)cc2)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000169316718 JK Annotated Mild OCCN1CCN(CCCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Cl)cc23)CC1 ZINC000169316868 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccccc2)sc2ccc(Br)cc12 ZINC000169316873 JK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccccc2)sc2ccc(Br)cc12 ZINC000169316874 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Br)cc12 ZINC000169316877 JK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Br)cc12 ZINC000169316878 JK Annotated Anodyne CN1CCN(CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Br)cc23)CC1 ZINC000169316879 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(F)cc2)sc2ccc(Br)cc12 ZINC000169316886 JK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(F)cc2)sc2ccc(Br)cc12 ZINC000169316887 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(C23CC4CC(CC(C4)C2)C3)sc2ccc(Cl)cc12 ZINC000169316890 JK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(C23CC4CC(CC(C4)C2)C3)sc2ccc(Cl)cc12 ZINC000169316891 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(F)cc12 ZINC000169316894 JK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(F)cc12 ZINC000169316895 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(OC)cc12 ZINC000169316899 JK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(OC)cc12 ZINC000169316900 JK Annotated Anodyne Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)cc1 ZINC000169317064 JK Annotated Reactive CCCCCCCC/C=C/CCCCCCCCNc1cc(C)nc2c(Br)cnn12 ZINC000169317417 JK Annotated Mild COC(=O)[C@@H](Oc1ccc(Cl)c2cccnc12)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317449 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(Cl)c2cccnc12)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317451 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C2(C)CCCCC2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317452 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C2(C)CCCCC2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317453 JK Annotated Anodyne Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000169317619 JK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000169317622 JK Annotated Reactive CO/C(=C\C(N)=O)[C@@H](C)[C@@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000169317740 JK Annotated Anodyne C[C@H]1[C@@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@@H]2C[C@@H]1C2(C)C ZINC000169318045 JK Annotated Anodyne C[C@@H]1[C@@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@@H]2C[C@@H]1C2(C)C ZINC000169318047 JK Annotated Anodyne C[C@H]1[C@@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@@H]2C[C@H]1C2(C)C ZINC000169318048 JK Annotated Anodyne C[C@@H]1[C@@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@@H]2C[C@H]1C2(C)C ZINC000169318050 JK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(OC)ccc23)c(OC)c1 ZINC000169318135 JK Annotated Clean CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(OC)ccc23)c(OC)c1 ZINC000169318137 JK Annotated Clean CCCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 ZINC000169318139 JK Annotated Clean CCCCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 ZINC000169318141 JK Annotated Clean CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000169318524 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000169318526 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000169318528 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000169318531 JK Annotated Anodyne CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@@H](O)CNCc1ccccc1 ZINC000169318806 JK Annotated Anodyne CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@H](O)CNCc1ccccc1 ZINC000169318807 JK Annotated Anodyne CN(C)CCNC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318808 JK Annotated Anodyne CN(C)CCNC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318809 JK Annotated Anodyne CCN(CC)CCCNC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318810 JK Annotated Anodyne CCN(CC)CCCNC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318811 JK Annotated Anodyne Cc1ccc(C[N+](C)(C)CCOc2c(Br)cc(Br)cc2Br)o1 ZINC000169318996 JK Annotated Bother CCCC(=O)OC1(c2ccccc2)CCN(C[C@@H]2CCc3c(OC)ccc(Cl)c3C2=O)CC1 ZINC000169319240 JK Annotated Anodyne CCCC(=O)OC1(c2ccccc2)CCN(C[C@H]2CCc3c(OC)ccc(Cl)c3C2=O)CC1 ZINC000169319241 JK Annotated Anodyne Cc1ccc(-n2[nH]c(C(C)(C)C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C ZINC000169319695 JK Annotated Clean CC(C)N(/C=N/c1ccc2c(c1)C(=O)c1ccc(/N=C/N(C(C)C)C(C)C)cc1C2=O)C(C)C ZINC000169319748 JK Annotated Mild O[C@]1(c2ccc(Br)cc2)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 ZINC000169319884 JK Annotated Anodyne CC/C(=N\NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000169320584 JK Annotated Mild CC[C@@H](O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)O1 ZINC000169320834 JK Annotated Anodyne CC[C@H](O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)O1 ZINC000169320835 JK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(C)(C)O)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320843 JK Annotated Anodyne COC(=O)C(Oc1ccc(Cl)cc1)(C(=O)OC)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169321225 JK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321336 JK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321337 JK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000169321339 JK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000169321341 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000169321357 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000169321359 JK Annotated Anodyne Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2cc(O)cc(O)c2)nc2ccccc2c1=O ZINC000169321496 JK Annotated Mild Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2ccc(O)c([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000169321497 JK Annotated Mild COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccccc3)cc2C)cc(OC)c1 ZINC000169321498 JK Annotated Mild Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O ZINC000169321532 JK Annotated Mild Cc1cc(C#Cc2ccccc2)ccc1-n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000169321533 JK Annotated Mild CCCCn1c(-c2ccc(Cl)cc2)c(Cc2c(OC)ccc3ccccc23)c(=O)[nH]c1=S ZINC000169321737 JK Annotated Anodyne C[C@@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169321798 JK Annotated Mild C[C@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169321801 JK Annotated Mild C[C@@]12CCC[C@H](/C1=N\O)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169321804 JK Annotated Mild C[C@]12CCC[C@H](/C1=N\O)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169321805 JK Annotated Mild COc1ccc2ccccc2c1Cc1c(-c2ccccc2)n(Cc2ccccc2)c(=S)[nH]c1=O ZINC000169321908 JK Annotated Anodyne O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(Cl)c(Cl)c4)cc3c(=O)c2c1 ZINC000169321929 JK Annotated Bother O=c1[nH]c(=S)n(Cc2ccccc2)c(-c2ccccc2)c1Cc1c(O)ccc2ccccc12 ZINC000169321930 JK Annotated Anodyne O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(Cl)c(Cl)c4)cc3c(=O)c2c1 ZINC000169321932 JK Annotated Bother COc1ccc(Cn2c(-c3ccccc3)c(Cc3c(O)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321933 JK Annotated Anodyne O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSC45CC6CC(CC(C6)C4)C5)cc3c(=O)c2c1 ZINC000169321966 JK Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSC45CC6CC(CC(C6)C4)C5)cc3c(=O)c2c1 ZINC000169321968 JK Annotated Bother Clc1ccc([C@@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)cc1 ZINC000169321969 JK Annotated Mild Clc1ccc([C@H]2N[C@H](c3ccc(Cl)cc3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)cc1 ZINC000169321971 JK Annotated Mild C[C@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169322076 JK Annotated Mild C[C@@]12CCC[C@H](/C1=N\O)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169322079 JK Annotated Mild C[C@]12CCC[C@H](/C1=N\O)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169322082 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322501 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322504 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322508 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322510 JK Annotated Mild CC1=C(C(=O)SC(C)(C)C)[C@H](c2ccc(Br)cc2)C=C(c2ccc(C)cc2)N1 ZINC000169322838 JK Annotated Mild CC1=C(C(=O)SC(C)(C)C)[C@@H](c2ccc(Br)cc2)C=C(c2ccc(C)cc2)N1 ZINC000169322841 JK Annotated Mild Cc1cc(Nc2cccc(Nc3ccc(N4CCN(C)CC4)nc3)c2)c2c(ccc3nc[nH]c32)n1 ZINC000169322940 JK Annotated Anodyne O=C(Nc1c(Cl)ccnc1Cl)C(=O)c1cc(Cc2ccc(Cl)cc2)n2ccccc12 ZINC000169323277 JK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(Cl)cc2)n2ccccc12 ZINC000169323298 JK Annotated Anodyne COc1ccc(Cc2cc(C(=O)C(=O)Nc3c(Cl)cncc3Cl)c3ccccn23)cc1 ZINC000169323300 JK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(Cl)cc2)n2ccc(Cl)cc12 ZINC000169323303 JK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccc(Cl)cc12 ZINC000169323307 JK Annotated Anodyne N#Cc1ccc(Cc2cc(C(=O)C(=O)Nc3c(Cl)cncc3Cl)c3cc(Cl)ccn23)cc1 ZINC000169323310 JK Annotated Mild CCN(CC)CCOc1ccc2c(c1)C(Cc1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 ZINC000169323971 JK Annotated Anodyne O=c1c2cc(Br)c3ccccc3c2oc(=S)n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000169324309 JK Annotated Bother O=c1c2cc(Br)c3ccccc3c2oc(=S)n1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000169324318 JK Annotated Bother CCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169324549 JK Annotated Anodyne CCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169324552 JK Annotated Anodyne CCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169324554 JK Annotated Anodyne CCCCCCc1oc(=O)c2c(nn3c(-c4ccccc4)ccnc23)c1-c1cccc(C(N)=O)c1 ZINC000169324558 JK Annotated Anodyne CCCCCCc1oc(=O)c2c(nn3c(-c4ccccc4)ccnc23)c1/C=C/C(=O)OC(C)(C)C ZINC000169324564 JK Annotated Anodyne O=c1oc(-c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c2nn3c(-c4ccccc4)ccnc3c12 ZINC000169324568 JK Annotated Bother O=c1oc(-c2ccccc2)c(-c2cnc3ccccc3c2)c2nn3c(-c4ccccc4)ccnc3c12 ZINC000169324571 JK Annotated Anodyne c1ccc(C2=Nc3ccccc3N=C(N3CCC(C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000169324583 JK Annotated Anodyne CCCCN(C)/C(CC)=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\CC)N(C)CCCC)cc1C2=O ZINC000169324837 JK Annotated Mild O=C1c2ccc(N/C3=N\CCCCCC3)cc2C(=O)c2ccc(N/C3=N\CCCCCC3)cc21 ZINC000169324849 JK Annotated Clean CC(C)(C)N(Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2no[n+]([O-])c2/C=N/O)c1)N=O ZINC000169324857 JK Annotated Mild CC(C)C/C(=N\c1ccc2c(c1)C(=O)c1ccc(/N=C(\CC(C)C)N(C)C)cc1C2=O)N(C)C ZINC000169324858 JK Annotated Mild CC(C)(C)N(Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2no[n+]([O-])c2C#N)c1)N=O ZINC000169324859 JK Annotated Mild CN(C)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C3CCC3)N(C)C)cc1C2=O)C1CCC1 ZINC000169324860 JK Annotated Mild CCN(CC)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C3CC3)N(CC)CC)cc1C2=O)C1CC1 ZINC000169324871 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169324996 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169324997 JK Annotated Anodyne CCCCN(CCCC)CC[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169325016 JK Annotated Anodyne CCCCN(CCCC)CC[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169325017 JK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(OCCCN2CCOCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169325324 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OCCCN2CCOCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169325325 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OCCCN2CCOCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169325329 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OCCCN2CCOCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169325331 JK Annotated Anodyne N[C@@H](C(=O)Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1)c1ccccc1 ZINC000169325433 JK Annotated Anodyne CCCc1c(CN2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cccc1Oc1cc(F)cc(Cl)c1 ZINC000169325462 JK Annotated Anodyne N#CCCSC1=NC(c2ccc(O)cc2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169325542 JK Annotated Mild N#CCCSC1=NC(c2ccc(O)cc2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169325543 JK Annotated Mild COc1cccc(C2=C[C@@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)c1 ZINC000169325546 JK Annotated Mild COc1cccc(C2=C[C@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)c1 ZINC000169325550 JK Annotated Mild COc1ccc(C2=C[C@@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)cc1 ZINC000169325556 JK Annotated Mild COc1ccc(C2=C[C@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)cc1 ZINC000169325561 JK Annotated Mild O=C1O/C(=C\Cn2cc(C3=CCCCC3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169325615 JK Annotated Anodyne CC(C)N(CCOc1ccc2sc3ccc(OCCN(C(C)C)C(C)C)cc3c2c1)C(C)C ZINC000169325953 JK Annotated Anodyne CS(=O)(=O)c1cc(Cl)ccc1-c1nc2ccc(Br)cn2c1NC1CCCC1 ZINC000169326056 JK Annotated Anodyne Fc1cc(-c2nc3ccc(Br)cn3c2NC2CCCC2)ccc1N1CCOCC1 ZINC000169326058 JK Annotated Anodyne COc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1OCc1ccccc1 ZINC000169326064 JK Annotated Anodyne Cc1ccc(-c2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)nn2)cc1 ZINC000169326328 JK Annotated Anodyne COc1cc(OC)c2c(c1)N(CCCCCCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)C(=O)C2 ZINC000169326597 JK Annotated Anodyne COc1cc(OC)c2c(c1)[C@@H](CCCCCCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)OC2=O ZINC000169326600 JK Annotated Anodyne CC(C)(/C=N/O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC#N ZINC000169326825 JK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C/C(=N\O)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000169327072 JK Annotated Mild N#CCCSC1=NC(c2cccc(Cl)c2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327108 JK Annotated Mild N#CCCSC1=NC(c2cccc(Cl)c2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327109 JK Annotated Mild N#CCCSC1=NC(c2ccc(Cl)cc2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327110 JK Annotated Mild N#CCCSC1=NC(c2ccc(Cl)cc2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327112 JK Annotated Mild CCCCCCCc1ccc(C(=O)NCCn2cc(Cc3csc4ccccc34)nn2)cc1 ZINC000169327265 JK Annotated Mild CCCCCc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)nn1 ZINC000169327660 JK Annotated Anodyne O=C1O/C(=C\Cn2cc(-c3ccccc3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169327687 JK Annotated Anodyne Cc1cc(C)c(CCCCN(CCCCc2c(C)cc(C)c(O)c2C)Cc2ccccc2)c(C)c1O ZINC000169327716 JK Annotated Anodyne Cc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4C(=O)c5ccccc5N[C@@H]34)cc2)cc1 ZINC000169327722 JK Annotated Anodyne Cc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4C(=O)c5ccccc5N[C@@H]34)cc2)cc1 ZINC000169327726 JK Annotated Anodyne CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169327733 JK Annotated Mild CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169327735 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169327737 JK Annotated Mild CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169327757 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@@]1(C)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169327758 JK Annotated Mild CO/N=C1\[C@@H]2CCC[C@]1(C)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169327761 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169327764 JK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2ccc(-c3ccccc3)cc2)nc(N)c1C#N ZINC000169327766 JK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2ccc(Cl)cc2)nc(N)c1C#N ZINC000169327771 JK Annotated Mild Cc1cn(-c2c(-c3cc(-c4ccc(Cl)cc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169327773 JK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2ccc(Br)cc2)nc(N)c1C#N ZINC000169327775 JK Annotated Mild N#CCCSC1=NC(c2cccc(F)c2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327802 JK Annotated Mild N#CCCSC1=NC(c2cccc(F)c2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327805 JK Annotated Mild N#CCCSC1=NC(c2ccc(F)cc2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327807 JK Annotated Mild N#CCCSC1=NC(c2ccc(F)cc2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327808 JK Annotated Mild Cc1cccc(C2=C[C@@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)c1 ZINC000169327810 JK Annotated Mild Cc1cccc(C2=C[C@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)c1 ZINC000169327813 JK Annotated Mild Cc1ccc(C2=C[C@@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)cc1 ZINC000169327816 JK Annotated Mild Cc1ccc(C2=C[C@H](c3cc4cc(Cl)ccc4nc3Cl)NC(SCCC#N)=N2)cc1 ZINC000169327818 JK Annotated Mild N#CCCSC1=NC(c2cccc([N+](=O)[O-])c2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327819 JK Annotated Mild N#CCCSC1=NC(c2cccc([N+](=O)[O-])c2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327821 JK Annotated Mild N#CCCSC1=NC(c2ccc([N+](=O)[O-])cc2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327823 JK Annotated Mild N#CCCSC1=NC(c2ccc([N+](=O)[O-])cc2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327824 JK Annotated Mild N#CCCSC1=NC(c2cccc(O)c2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327826 JK Annotated Mild N#CCCSC1=NC(c2cccc(O)c2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327828 JK Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN(c2ccccc2F)C3=O)CC1 ZINC000169327900 JK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C/C(=N\O)[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000169327975 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2cc(SC)ccc2c2c(Cl)c(Cl)ccc12 ZINC000169328057 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(SC)ccc2c2c(Cl)c(Cl)ccc12 ZINC000169328058 JK Annotated Bother CCNc1ncc2ccccc2c1-c1ccc(NC(=O)CCN(CCCl)CCCl)cc1 ZINC000169328157 JK Annotated Reactive CC(C)C[C@H]1C2=C(Oc3cc(O)c(C(=O)CCc4ccccc4)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000169328398 JK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c(C(=O)CCc4ccccc4)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000169328400 JK Annotated Mild COc1cc([C@@H]2C[C@]23CCCC[C@@]2(C[C@@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000169328515 JK Annotated Anodyne CCCc1cn(C/C=C2/C(OCc3ccccc3)=C(OCc3ccccc3)C(=O)N2CCC)nn1 ZINC000169328880 JK Annotated Anodyne Cc1[nH]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169328936 JK Annotated Clean Cc1[nH]n(-c2cccc(C(C)(C)C)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169328941 JK Annotated Clean C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169328945 JK Annotated Reactive C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169328947 JK Annotated Reactive Cc1cn(-c2c(-c3cc(/C=C/c4cccc(O)c4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169328948 JK Annotated Mild C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169328950 JK Annotated Reactive C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169328951 JK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2ccc3c(c2)OC(C)(C)O3)nc(N)c1C#N ZINC000169328952 JK Annotated Mild CCCCC[C@@H](C)[C@@H](C)c1cc(OCCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169329035 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OCCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169329036 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OCCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169329038 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OCCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169329040 JK Annotated Anodyne Cc1cn2cc(CNc3ncnc4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)nc2s1 ZINC000169329466 JK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000169329561 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000169329563 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)nc2)[C@@]13C(=O)O ZINC000169329566 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000169329570 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000169329574 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(C#N)cc2)[C@@]13C(=O)O ZINC000169329576 JK Annotated Mild C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCC[N+](C)(C)Cc5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000169329603 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169329682 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169329684 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 ZINC000169329807 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 ZINC000169329808 JK Annotated Bother Cc1[nH]n(-c2ccc(C(C)C)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330022 JK Annotated Clean Cc1[nH]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330023 JK Annotated Clean Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330031 JK Annotated Clean O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O ZINC000169330113 JK Annotated Anodyne O=C1CCCC[C@@]12[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000169330115 JK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O ZINC000169330117 JK Annotated Anodyne O=C1CCCC[C@@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000169330118 JK Annotated Anodyne O=C1[C@@]2(CCC[C@]13C[C@@H]3c1ccc(Br)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000169330287 JK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCC[C@@]2(C[C@@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000169330306 JK Annotated Anodyne Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330413 JK Annotated Clean CCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2ccc(OC(F)(F)F)cc2)c1 ZINC000169330498 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(C)cc2C)nc2c1cc(Cl)c1ccccc12 ZINC000169330680 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(C)cc2C)nc2c1cc(Cl)c1ccccc12 ZINC000169330681 JK Annotated Bother CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCC2=O ZINC000169330803 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCC2=O ZINC000169330805 JK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OC[C@H]1[C@@H]3C2=C(CC(C)(C)CC2=O)OC1(C)C ZINC000169330929 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000169330995 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000169331000 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cc4ccccc4o2)[C@@]13C(=O)O ZINC000169331003 JK Annotated Mild O=c1nc2ccc(Cl)cn2cc1Cc1ccc(Oc2nc(Cl)c(Cl)cc2Cl)cc1 ZINC000169331050 JK Annotated Anodyne CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(C(F)(F)F)CC2)cc1 ZINC000169331072 JK Annotated Clean CCCCCCN1C(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC=C[C@@H]1C(C)C ZINC000169331266 JK Annotated Anodyne CSc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169331383 JK Annotated Mild CSc1ccc(C(=O)OCC[C@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169331385 JK Annotated Mild CSc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169331387 JK Annotated Mild CSc1ccc(C(=O)OCC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169331389 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2c(Cl)c(Cl)ccc12 ZINC000169331483 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2c(Cl)c(Cl)ccc12 ZINC000169331484 JK Annotated Bother COc1ccc([C@@H](N)CCCCCCC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169331514 JK Annotated Anodyne COc1ccc([C@H](N)CCCCCCC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169331515 JK Annotated Anodyne COc1ccc([C@@H](N)CCCCCCC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169331516 JK Annotated Anodyne COc1ccc([C@H](N)CCCCCCC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169331517 JK Annotated Anodyne C1=C\CCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000169331536 JK Annotated Anodyne O=[N+]([O-])c1ccc2c(Nc3ccc(CS(=O)(=O)Nc4ccccn4)cc3)c3ccccc3nc2c1 ZINC000169331703 JK Annotated Clean COc1ccc(N2CN3C(=C(O)[C@H]2c2cccc(Br)c2)Nc2ccccc23)cc1 ZINC000169331815 JK Annotated Clean COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000169331836 JK Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000169331839 JK Annotated Mild CCN(CC)CCOC(=O)c1ccc2c(c1)sc1ccc(C(=O)OCCN(CC)CC)cc12 ZINC000169331937 JK Annotated Anodyne COc1ccc([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2cc(Cl)cc(Cl)c2)cc1OC ZINC000169332105 JK Annotated Anodyne Cc1ccc2c(c1)[C@H]1CN(CCCN3c4ccccc4Sc4cc(Cl)ccc43)CC[C@H]1N2 ZINC000169332181 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169332392 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169332394 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169332396 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000169332399 JK Annotated Anodyne CN(C)CCCN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000169332472 JK Annotated Anodyne C[C@@H]1CCCN(COC(=O)c2ccc3oc4ccc(C(=O)OCN5CCC[C@@H](C)C5)cc4c3c2)C1 ZINC000169332614 JK Annotated Anodyne C[C@H]1CCCN(COC(=O)c2ccc3oc4ccc(C(=O)OCN5CCC[C@@H](C)C5)cc4c3c2)C1 ZINC000169332615 JK Annotated Anodyne O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12O[C@@H](COc1ccccc1)C[C@@H]1CCC[C@@H]12 ZINC000169332653 JK Annotated Anodyne O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12O[C@H](COc1ccccc1)C[C@@H]1CCC[C@@H]12 ZINC000169332654 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)n2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000169332713 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)n2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000169332714 JK Annotated Anodyne Clc1ccccc1[C@@H]1N[C@@H](c2ccccc2Cl)[C@@H]2CCC[C@@H]1C2=NOCc1ccccc1 ZINC000169332897 JK Annotated Mild Clc1ccccc1[C@H]1N[C@H](c2ccccc2Cl)[C@@H]2CCC[C@@H]1C2=NOCc1ccccc1 ZINC000169332900 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(F)cc2c2ccccc12 ZINC000169332942 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(F)cc2c2ccccc12 ZINC000169332944 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1c(F)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333362 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c(F)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333364 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc12 ZINC000169333372 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc12 ZINC000169333375 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333385 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333386 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(F)cc4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333395 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(F)cc4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333398 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)cc(F)c4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333400 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)cc(F)c4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333403 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(F)cc4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169333421 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(F)cc4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169333423 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)cc(F)c4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169333428 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)cc(F)c4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169333431 JK Annotated Anodyne CN1CCN(C[C@@H](O)c2cc(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cc23)CC1 ZINC000169333443 JK Annotated Anodyne CN1CCN(C[C@H](O)c2cc(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cc23)CC1 ZINC000169333445 JK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1ccc(Cl)cc1CC2 ZINC000169333454 JK Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1ccc(Cl)cc1CC2 ZINC000169333456 JK Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1ccc(Cl)cc1CC2 ZINC000169333458 JK Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1ccc(Cl)cc1CC2 ZINC000169333459 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000169333461 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000169333465 JK Annotated Anodyne O[C@@H](CNCc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333495 JK Annotated Anodyne O[C@H](CNCc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333497 JK Annotated Anodyne C[C@@]12C=C(/C=C\c3ccc(Br)cc3)[C@@](C)(C1)[C@@H](c1ccc(Br)cc1)CC2=O ZINC000169333516 JK Annotated Anodyne C[C@@]12C[C@](C)(C=C1/C=C\c1ccc(Br)cc1)C(=O)C[C@@H]2c1ccc(Br)cc1 ZINC000169333518 JK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1cccc(Cl)c1CC2 ZINC000169333530 JK Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1cccc(Cl)c1CC2 ZINC000169333532 JK Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1cccc(Cl)c1CC2 ZINC000169333536 JK Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1c2c(nc3c(Cl)cc(Cl)cc13)-c1cccc(Cl)c1CC2 ZINC000169333539 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2C(C)C)N2CCCCC2)cc1 ZINC000169333805 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2C(C)C)N2CCCCC2)cc1 ZINC000169333807 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2C(C)C)N2CCOCC2)cc1 ZINC000169333814 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2C(C)C)N2CCOCC2)cc1 ZINC000169333817 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2C(C)C)N2CCN(C)CC2)cc1 ZINC000169333821 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2C(C)C)N2CCN(C)CC2)cc1 ZINC000169333822 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(OC)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169333865 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c(OC)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169333866 JK Annotated Anodyne O[C@@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 ZINC000169333870 JK Annotated Anodyne O[C@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 ZINC000169333872 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc3c(cc12)OCO3 ZINC000169333952 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc3c(cc12)OCO3 ZINC000169333955 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333965 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333966 JK Annotated Anodyne CCCCN(CCCC)CC[C@@H](O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 ZINC000169334015 JK Annotated Anodyne CCCCN(CCCC)CC[C@H](O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 ZINC000169334016 JK Annotated Anodyne CC(C)c1cccc2c1[C@H](Cc1ccc(C[C@H]3c4c(cccc4C(C)C)CCN3C)cc1)N(C)CC2 ZINC000169334131 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334296 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334298 JK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334300 JK Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334302 JK Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334303 JK Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334305 JK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334307 JK Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334308 JK Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334310 JK Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334312 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2cccs2)nc2cccc(Br)c12 ZINC000169334338 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2cccs2)nc2cccc(Br)c12 ZINC000169334339 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cn3)c(=O)c2cc1Cl ZINC000169334418 JK Annotated Anodyne C=C1CCC[C@@H]2N(C)c3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169334462 JK Annotated Mild COc1cc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C(C)C)cc(OC)c1OC ZINC000169334499 JK Annotated Anodyne COc1cc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C2CC2)cc(OC)c1OC ZINC000169334521 JK Annotated Anodyne COc1ccc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C2CCCC2)cc1OC ZINC000169334524 JK Annotated Anodyne COc1cc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C2CCCC2)cc(OC)c1OC ZINC000169334526 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334610 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334611 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12 ZINC000169334636 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12 ZINC000169334639 JK Annotated Anodyne CC/C=C\C[C@@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000169334704 JK Annotated Anodyne CC/C=C/C[C@@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000169334706 JK Annotated Anodyne CC/C=C\C[C@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000169334708 JK Annotated Anodyne CC/C=C/C[C@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000169334713 JK Annotated Anodyne CCCCN(CCCC)[C@@H](C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169334780 JK Annotated Anodyne CCCCN(CCCC)[C@H](C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169334782 JK Annotated Anodyne CCCCN(CCCC)[C@@H](C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169334784 JK Annotated Anodyne CCCCN(CCCC)[C@H](C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000169334786 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C2(C)CCCC2)nc2c(Cl)cc(Cl)cc12 ZINC000169334885 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C2(C)CCCC2)nc2c(Cl)cc(Cl)cc12 ZINC000169334887 JK Annotated Anodyne C[C@H](NC(=O)NCCCCNC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334951 JK Annotated Anodyne C[C@H](NC(=O)NCCCCNC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334953 JK Annotated Anodyne C[C@@H](NC(=O)NCCCCNC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334955 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c2c(nc3c(C)cc(C)cc13)/C(=C/c1ccc(Cl)cc1)CC2 ZINC000169335249 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c2c(nc3c(C)cc(C)cc13)/C(=C/c1ccc(Cl)cc1)CC2 ZINC000169335251 JK Annotated Anodyne CN(Cc1ccccc1)C[C@@H](O)c1cc(-c2cccs2)nc2cccc(Br)c12 ZINC000169335276 JK Annotated Anodyne CN(Cc1ccccc1)C[C@H](O)c1cc(-c2cccs2)nc2cccc(Br)c12 ZINC000169335278 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccc(Cl)cc12 ZINC000169335287 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccc(Cl)cc12 ZINC000169335288 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(F)(F)c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000169335296 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(F)(F)c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000169335298 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(F)(F)c2ccccc2)nc2c(Cl)cccc12 ZINC000169335301 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(F)(F)c2ccccc2)nc2c(Cl)cccc12 ZINC000169335303 JK Annotated Anodyne CCC[C@@H](C)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335311 JK Annotated Anodyne CCC[C@H](C)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335313 JK Annotated Anodyne CCC[C@@H](C)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335315 JK Annotated Anodyne CCC[C@H](C)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335317 JK Annotated Anodyne CC[C@@H](C)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335334 JK Annotated Anodyne CC[C@H](C)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335335 JK Annotated Anodyne CC[C@@H](C)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335336 JK Annotated Anodyne CC[C@H](C)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335337 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)[C@@H]2C(=O)C[C@@H](c3ccco3)CC2=N1 ZINC000169335594 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OC(C)C)[C@@H]2C(=O)C[C@@H](c3ccco3)CC2=N1 ZINC000169335598 JK Annotated Anodyne CCCC(CCC)NC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335651 JK Annotated Anodyne CCCC(CCC)NC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335653 JK Annotated Anodyne CCCCNC[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335669 JK Annotated Anodyne CCCCNC[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335670 JK Annotated Anodyne CCCC[N+]([O-])(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335712 JK Annotated Bother CCCC[N+]([O-])(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335714 JK Annotated Bother O[C@@H](C[N+]12CCC(CC1)CC2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335737 JK Annotated Bother O[C@H](C[N+]12CCC(CC1)CC2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335738 JK Annotated Bother CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335767 JK Annotated Anodyne CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335768 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(OC)cc2)c1 ZINC000169335787 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(OC)cc2)c1 ZINC000169335788 JK Annotated Anodyne CC(C)[C@@H](C#CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000169335794 JK Annotated Mild CC(C)[C@H](C#CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000169335796 JK Annotated Mild CC(C)[C@@H](C#CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000169335798 JK Annotated Mild CC(C)[C@H](C#CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000169335800 JK Annotated Mild CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000169335804 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000169335806 JK Annotated Anodyne Cc1ccc2c(-c3ccc4c(c3Cl)NCCO4)c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2c1 ZINC000169335813 JK Annotated Anodyne Cc1ccc2c(-c3ccc4c5c(ccnc35)CCO4)c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2c1 ZINC000169335814 JK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1Cc1c(C)ccc(C(=O)OC)c1C(=O)OC ZINC000169335951 JK Annotated Mild CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169335961 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169335963 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000169336001 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000169336003 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336012 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336014 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)sc12 ZINC000169336023 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)sc12 ZINC000169336024 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)sc12 ZINC000169336025 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)sc12 ZINC000169336026 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Cl)sc12 ZINC000169336029 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Cl)sc12 ZINC000169336031 JK Annotated Anodyne O=c1[nH]c2c(cc1CNCc1cc(C(F)(F)F)ccc1F)c(C1CC1)nn2-c1ccccc1 ZINC000169336059 JK Annotated Anodyne O=c1[nH]c2c(cc1CNCc1cccc(C(F)(F)F)c1F)c(C1CC1)nn2-c1ccccc1 ZINC000169336062 JK Annotated Anodyne Cc1ccc(C(F)(F)F)cc1CNCc1cc2c(C3CC3)nn(-c3ccccc3)c2[nH]c1=O ZINC000169336068 JK Annotated Anodyne CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCN(c4ccccn4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169336461 JK Annotated Anodyne CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCN(c4ccncc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169336462 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)c(OC)cc12 ZINC000169336641 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)c(OC)cc12 ZINC000169336642 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)c2c(Cl)cc(Cl)cc12 ZINC000169336648 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1ccc(-c2ccc(Cl)cc2)c2c(Cl)cc(Cl)cc12 ZINC000169336650 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000169336661 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000169336664 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(Cl)cc(Cl)c2nc(-c3ccc(Cl)cc3)ccc12 ZINC000169336863 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c(Cl)cc(Cl)c2nc(-c3ccc(Cl)cc3)ccc12 ZINC000169336865 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(Cl)cc2ccc(-c3ccc(Cl)cc3)nc2c1Cl ZINC000169336868 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c(Cl)cc2ccc(-c3ccc(Cl)cc3)nc2c1Cl ZINC000169336871 JK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(Cl)cc2cc3ccccc3cc12 ZINC000169336889 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(Cl)cc2cc3ccccc3cc12 ZINC000169336891 JK Annotated Mild CCCCCCN(CCCCCC)C[C@@H](O)c1cccc2c1cc(Br)c1ccccc12 ZINC000169336898 JK Annotated Bother CCCCCCN(CCCCCC)C[C@H](O)c1cccc2c1cc(Br)c1ccccc12 ZINC000169336900 JK Annotated Bother CCCCCN(CCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 ZINC000169336913 JK Annotated Anodyne CCCCCN(CCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 ZINC000169336916 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 ZINC000169336931 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 ZINC000169336935 JK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2sccc2c2cc(Cl)sc12 ZINC000169336944 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2sccc2c2cc(Cl)sc12 ZINC000169336946 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2cc3cccc(Cl)c3cc12 ZINC000169336973 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2cc3cccc(Cl)c3cc12 ZINC000169336974 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(Oc2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169337009 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Oc2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169337011 JK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1cc(Cl)c1ccccc12 ZINC000169337030 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1cc(Cl)c1ccccc12 ZINC000169337032 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c3ccccc3c3ccccc3c12 ZINC000169337058 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c3ccccc3c3ccccc3c12 ZINC000169337060 JK Annotated Mild CCCCCCN(CCCCCC)C[C@@H](O)c1cccc2ccc3cccc(Br)c3c12 ZINC000169337069 JK Annotated Bother CCCCCCN(CCCCCC)C[C@H](O)c1cccc2ccc3cccc(Br)c3c12 ZINC000169337072 JK Annotated Bother COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2N)cc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000169337145 JK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2ccncc12 ZINC000169337289 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2ccncc12 ZINC000169337292 JK Annotated Mild CC(C)c1cccc2c1[C@H](Cc1cccc(C[C@H]3c4c(cccc4C(C)C)CCN3C)c1)N(C)CC2 ZINC000169337445 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(OC)c2cc(Cl)cc(Cl)c2n1 ZINC000169337619 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(OC)c2cc(Cl)cc(Cl)c2n1 ZINC000169337622 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(C)c(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 ZINC000169337637 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1c(C)c(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 ZINC000169337639 JK Annotated Bother CCCN(CCC)C[C@@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337750 JK Annotated Bother CCCN(CCC)C[C@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337752 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337776 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337778 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337783 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337785 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337787 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337790 JK Annotated Bother CCCN(CCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169337794 JK Annotated Bother CCCN(CCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169337796 JK Annotated Bother CCCN(CCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337808 JK Annotated Bother CCCN(CCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337810 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 ZINC000169337811 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 ZINC000169337813 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 ZINC000169337816 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 ZINC000169337817 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 ZINC000169337819 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 ZINC000169337820 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2c(Cl)cc(Cl)cc12 ZINC000169337831 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2c(Cl)cc(Cl)cc12 ZINC000169337832 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 ZINC000169337839 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 ZINC000169337840 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 ZINC000169337842 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 ZINC000169337843 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 ZINC000169337851 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 ZINC000169337852 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 ZINC000169337853 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 ZINC000169337854 JK Annotated Bother O[C@@H](CCNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337855 JK Annotated Bother O[C@H](CCNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337856 JK Annotated Bother CCCC(CCC)NC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337930 JK Annotated Bother CCCC(CCC)NC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337932 JK Annotated Bother CCCN(CCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 ZINC000169337943 JK Annotated Bother CCCN(CCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 ZINC000169337944 JK Annotated Bother CCCN(CCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169337961 JK Annotated Bother CCCN(CCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169337962 JK Annotated Bother CCCN(CCC)CC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337986 JK Annotated Bother CCCN(CCC)CC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337989 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 ZINC000169337997 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 ZINC000169337999 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2c(Cl)cc(Cl)cc12 ZINC000169338001 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2c(Cl)cc(Cl)cc12 ZINC000169338002 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)c2cc(Cl)cc(Cl)c2n1 ZINC000169338061 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)c2cc(Cl)cc(Cl)c2n1 ZINC000169338064 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)c2cc(OC)c(Cl)cc2n1 ZINC000169338066 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)c2cc(OC)c(Cl)cc2n1 ZINC000169338068 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2cccc(O)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169338119 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2cccc(O)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169338120 JK Annotated Anodyne O[C@@H](CN1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 ZINC000169338207 JK Annotated Anodyne O[C@H](CN1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 ZINC000169338209 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1 ZINC000169338245 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1 ZINC000169338247 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 ZINC000169338304 JK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 ZINC000169338306 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)cc(Cl)cc12 ZINC000169338442 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)cc(Cl)cc12 ZINC000169338444 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)c(Cl)ccc12 ZINC000169338447 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)c(Cl)ccc12 ZINC000169338449 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)c(Cl)cc12 ZINC000169338451 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)c(Cl)cc12 ZINC000169338453 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169338459 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169338461 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169338464 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169338467 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2ccc(Cl)cc12 ZINC000169338470 JK Annotated Bother COc1cc([C@H]2[C@H]3c4c(c5ccccc5n(C)c4=O)OC(C)(C)[C@H]3[C@@H]2C2CC2)cc(OC)c1OC ZINC000169338471 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2ccc(Cl)cc12 ZINC000169338472 JK Annotated Bother O[C@@H](Cc1ccc2ccccc2n1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338511 JK Annotated Bother O[C@H](Cc1ccc2ccccc2n1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338513 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169338541 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169338543 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(SC)ccc12 ZINC000169338569 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(SC)ccc12 ZINC000169338570 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 ZINC000169338856 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 ZINC000169338860 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 ZINC000169338863 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 ZINC000169338867 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 ZINC000169338870 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 ZINC000169338871 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 ZINC000169338898 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 ZINC000169338899 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 ZINC000169338901 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 ZINC000169338904 JK Annotated Bother CCCCCCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338924 JK Annotated Bother CCCCCCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338925 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(SC)ccc2c2cc(Cl)c(Cl)cc12 ZINC000169338927 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(SC)ccc2c2cc(Cl)c(Cl)cc12 ZINC000169338929 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169338931 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169338933 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2cc(Cl)c(Cl)cc12 ZINC000169338935 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2cc(Cl)c(Cl)cc12 ZINC000169338937 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 ZINC000169338960 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 ZINC000169338962 JK Annotated Bother O[C@@H](CNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338968 JK Annotated Bother O[C@H](CNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338969 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338975 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338976 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338979 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338980 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169338990 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169338992 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339003 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339004 JK Annotated Bother CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000169339042 JK Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000169339045 JK Annotated Reactive CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 ZINC000169339216 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 ZINC000169339219 JK Annotated Anodyne CC(C)(C)NC[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339299 JK Annotated Bother CC(C)(C)NC[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339302 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169339323 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169339325 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cccc(Br)c2c2cc(C(F)(F)F)ccc12 ZINC000169339347 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cccc(Br)c2c2cc(C(F)(F)F)ccc12 ZINC000169339349 JK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(Cl)c(Cl)cc12 ZINC000169339423 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(Cl)c(Cl)cc12 ZINC000169339425 JK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339444 JK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339446 JK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339448 JK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339450 JK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccccc2c2ccc3ccccc3c12 ZINC000169339472 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccccc2c2ccc3ccccc3c12 ZINC000169339474 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc12 ZINC000169339495 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc12 ZINC000169339496 JK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2ccccc12 ZINC000169339521 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2ccccc12 ZINC000169339523 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccccc2c2c(Cl)cccc12 ZINC000169339524 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccccc2c2c(Cl)cccc12 ZINC000169339525 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccccc2c2cc(F)ccc12 ZINC000169339526 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccccc2c2cc(F)ccc12 ZINC000169339527 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2cc(OC)ccc12 ZINC000169339539 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2cc(OC)ccc12 ZINC000169339541 JK Annotated Mild CCN(Cc1cc(N)ccc1OC)C[C@@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000169339543 JK Annotated Bother CCN(Cc1cc(N)ccc1OC)C[C@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000169339546 JK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2cccc(Cl)c2c2ccccc12 ZINC000169339588 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2cccc(Cl)c2c2ccccc12 ZINC000169339590 JK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(SC)ccc12 ZINC000169339622 JK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(SC)ccc12 ZINC000169339623 JK Annotated Bother CCCCCCCCN(CCCCCCCC)CC[C@@H](O)c1cc2c(O)cccc2c2ccccc12 ZINC000169339626 JK Annotated Mild CCCCCCCCN(CCCCCCCC)CC[C@H](O)c1cc2c(O)cccc2c2ccccc12 ZINC000169339630 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cccc2c2ccccc12 ZINC000169339636 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cccc2c2ccccc12 ZINC000169339638 JK Annotated Mild O=C1N(CC2CC2)c2cccc(Br)c2[C@]12O[C@@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000169339641 JK Annotated Anodyne O=C1N(CC2CC2)c2cccc(Br)c2[C@]12O[C@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000169339644 JK Annotated Anodyne OCc1nc2cc(-c3c(O)ccc4cc(Br)ccc34)c3cc(Br)ccc3c2o1 ZINC000169339670 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cc(C)cc(C)n2)cc1OCC ZINC000169339848 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2F)cc1OCC ZINC000169339987 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 ZINC000169340198 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000169340431 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCC2CC2)=N[C@@H]1c1ccccc1 ZINC000169340457 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCC2CC2)=N[C@H]1c1ccccc1 ZINC000169340459 JK Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000169340509 JK Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000169340511 JK Annotated Anodyne Cc1ccc(C(F)(F)F)cc1CNCc1cc2c(C(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000169340997 JK Annotated Anodyne CCCCCCCOC(=O)Nc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C ZINC000169341038 JK Annotated Mild CCCCCCCOC(=O)Nc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C ZINC000169341041 JK Annotated Mild COC(=O)c1ccc(CN2C(=O)[C@@]3(O[C@@H](C)CC4=CCC[C@@H]43)c3c(Br)cccc32)cc1 ZINC000169341070 JK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(O[C@H](C)CC4=CCC[C@@H]43)c3c(Br)cccc32)cc1 ZINC000169341072 JK Annotated Anodyne Cc1ccccc1NC1=C/C(=N/N=C(\N)SCc2ccccc2)C(=O)N=C1Nc1ccccc1C ZINC000169341097 JK Annotated Mild Cc1cccc(NC2=C/C(=N/N=C(\N)SCc3ccccc3)C(=O)N=C2Nc2cccc(C)c2)c1 ZINC000169341100 JK Annotated Mild Cc1ccc(NC2=C/C(=N/N=C(\N)SCc3ccccc3)C(=O)N=C2Nc2ccc(C)cc2)cc1 ZINC000169341102 JK Annotated Mild C[C@@H](Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2ccncc2)cc1 ZINC000169341113 JK Annotated Anodyne C[C@H](Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2ccncc2)cc1 ZINC000169341116 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@@H]1[C@@H]1C(=O)c3ccccc3C(=O)[C@@H]21 ZINC000169341819 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@@H]1[C@@H]1C(=O)c3ccccc3C(=O)[C@@H]21 ZINC000169341821 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@H]1[C@@H]1C(=O)c3ccccc3C(=O)[C@@H]21 ZINC000169341822 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@@H]1C(=O)c3ccccc3C(=O)[C@@H]21 ZINC000169341826 JK Annotated Mild CC[C@H]1C(=O)N(C2CCN([C@@H](C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 ZINC000169341844 JK Annotated Anodyne CC[C@@H]1C(=O)N(C2CCN([C@@H](C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 ZINC000169341846 JK Annotated Anodyne CC[C@H]1C(=O)N(C2CCN([C@H](C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 ZINC000169341848 JK Annotated Anodyne CC[C@@H]1C(=O)N(C2CCN([C@H](C)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 ZINC000169341849 JK Annotated Anodyne CN(Cc1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12 ZINC000169342005 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCCC2=O ZINC000169342020 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCCC2=O ZINC000169342022 JK Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342081 JK Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342085 JK Annotated Anodyne CCC(=O)C(CCCCCCc1ccc(OC(=O)c2cc(OC)cc(OC)c2)cc1)C(=O)CC ZINC000169342185 JK Annotated Anodyne C[C@@]12C=C(/C=C\c3ccc(C(F)(F)F)cc3)[C@@](C)(C1)[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000169342399 JK Annotated Anodyne C[C@@]12C[C@](C)(C=C1/C=C\c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000169342402 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)n2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169342429 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)n2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169342431 JK Annotated Anodyne COC(=O)C1=C[C@@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000169342579 JK Annotated Anodyne COC(=O)C1=C[C@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000169342582 JK Annotated Anodyne COC(=O)C1=C[C@@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000169342583 JK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000169342586 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(CC(C)=CC[C@@H](C)O2)c2c(Br)cccc21 ZINC000169342671 JK Annotated Anodyne CCC[P@@](=O)(Nc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)OC(C)C ZINC000169342831 JK Annotated Anodyne CCC[P@](=O)(Nc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)OC(C)C ZINC000169342832 JK Annotated Anodyne CCO[P@@](=O)(Nc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)c1ccccc1 ZINC000169342833 JK Annotated Anodyne CCO[P@](=O)(Nc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)c1ccccc1 ZINC000169342834 JK Annotated Anodyne CCC[P@@](=O)(Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)OC(C)C ZINC000169342838 JK Annotated Anodyne CCC[P@](=O)(Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)OC(C)C ZINC000169342839 JK Annotated Anodyne CCO[P@@](=O)(Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)c1ccccc1 ZINC000169342840 JK Annotated Anodyne CCO[P@](=O)(Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)c1ccccc1 ZINC000169342841 JK Annotated Anodyne CCC[P@@](=O)(Oc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C)OC(C)C ZINC000169342844 JK Annotated Bother CCC[P@](=O)(Oc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C)OC(C)C ZINC000169342845 JK Annotated Bother CCO[P@@](=O)(Oc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)c1ccccc1 ZINC000169342858 JK Annotated Anodyne CCO[P@](=O)(Oc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)c1ccccc1 ZINC000169342860 JK Annotated Anodyne CCC[P@@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OC(C)C ZINC000169342864 JK Annotated Bother CCC[P@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OC(C)C ZINC000169342865 JK Annotated Bother CCO[P@@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 ZINC000169342867 JK Annotated Bother CCO[P@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 ZINC000169342868 JK Annotated Bother CCO[P@@](=O)(Oc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)c1ccccc1 ZINC000169342888 JK Annotated Anodyne CCO[P@](=O)(Oc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)c1ccccc1 ZINC000169342890 JK Annotated Anodyne CCC[P@@](=O)(Oc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OC(C)C ZINC000169342893 JK Annotated Bother CCC[P@](=O)(Oc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OC(C)C ZINC000169342895 JK Annotated Bother CCOP(=O)(OCC)[C@@H](O)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169342906 JK Annotated Bother CCOP(=O)(OCC)[C@H](O)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169342907 JK Annotated Bother CCCc1cc(=O)oc2cc(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342943 JK Annotated Mild CCCc1cc(=O)oc2cc(NC(=O)Nc3cccc4ccccc34)c3c(c12)OC(C)(C)C=C3 ZINC000169342951 JK Annotated Anodyne C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000169343027 JK Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169343030 JK Annotated Mild C=CC[C@@H]1C(=O)N2[C@@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@@H](CC=C)C(=O)N2[C@@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000169343586 JK Annotated Mild C=CC[C@H]1C(=O)N2[C@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@@H](CC=C)C(=O)N2[C@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000169343588 JK Annotated Mild C=CC[C@@H]1C(=O)N2[C@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@@H](CC=C)C(=O)N2[C@@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000169343590 JK Annotated Mild C=CC[C@H]1C(=O)N2[C@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@@H](CC=C)C(=O)N2[C@@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000169343592 JK Annotated Mild O=C1Nc2ccccc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169343915 JK Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169343917 JK Annotated Anodyne O=C1Nc2ccccc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169343919 JK Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169343921 JK Annotated Anodyne CN1C(=O)[C@@H]2CC[C@@H]1[C@@H](OC(=O)C(C)(C)Oc1ccc3c(c1)CCc1c-3ccc3c1CCC3(C)C)C2 ZINC000169344165 JK Annotated Anodyne COC(=O)CCC(=O)OCC(C)(C)Oc1ccc2c(c1)CCc1c-2ccc2c1CCC2(C)C ZINC000169344171 JK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc(Cl)cc1 ZINC000169344404 JK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc(Cl)cc1 ZINC000169344405 JK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc(Cl)cc1 ZINC000169344406 JK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc(Cl)cc1 ZINC000169344407 JK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc(OC)cc1 ZINC000169344408 JK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc(OC)cc1 ZINC000169344409 JK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc(OC)cc1 ZINC000169344410 JK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc(OC)cc1 ZINC000169344411 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)c6oncc6C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000169344498 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)c6oncc6C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000169344501 JK Annotated Anodyne COc1c(O)cc2oc3c([N+](=O)[O-])c(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C ZINC000169345100 JK Annotated Bother COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1F ZINC000169345116 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4cccc(OC(F)(F)F)c4)cc3)c(=O)c2cc1Cl ZINC000169345119 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c(=O)c2cc1Cl ZINC000169345123 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(F)c(OC(F)(F)F)c4)cc3)c(=O)c2cc1Cl ZINC000169345131 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)c(F)c4)cc3)c(=O)c2cc1Cl ZINC000169345132 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)nc3)c(=O)c2cc1Cl ZINC000169345133 JK Annotated Anodyne COc1cc2[nH]c(C)c(-c3cnc(Oc4ccc(OC(F)(F)F)cc4)nc3)c(=O)c2cc1Cl ZINC000169345134 JK Annotated Anodyne COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169345138 JK Annotated Bother CCc1cc2c(nc1CC)CCN(CC/C(C)=N\OC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C)C2 ZINC000169345275 JK Annotated Mild CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000169345294 JK Annotated Anodyne CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000169345296 JK Annotated Anodyne CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000169345299 JK Annotated Anodyne CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000169345302 JK Annotated Anodyne O=C1C(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)[C@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCCC1 ZINC000169345556 JK Annotated Mild O=S1(=O)C(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)[C@@H]2[C@H]3CC[C@@H](C3)[C@]21N1CCCC1 ZINC000169345597 JK Annotated Anodyne O=S1(=O)C(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)[C@H]2[C@H]3CC[C@@H](C3)[C@]21N1CCCC1 ZINC000169345600 JK Annotated Anodyne CCCCCCOC[C@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169345854 JK Annotated Mild CCCCCCOC[C@@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169345858 JK Annotated Mild O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCC1(CCC1)CO2 ZINC000169346004 JK Annotated Anodyne CCN1C(=O)C(Cc2ccc(Cl)cc2)(Cc2ccc(Cl)cc2)[C@H](O)c2cc(Cl)ccc21 ZINC000169346111 JK Annotated Anodyne CCN1C(=O)C(Cc2ccc(Cl)cc2)(Cc2ccc(Cl)cc2)[C@@H](O)c2cc(Cl)ccc21 ZINC000169346112 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C\C=C/CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000169346614 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C\C=C\CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000169346615 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C/C=C/CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000169346618 JK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)/C=C/c3ccccc3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346697 JK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)/C=C/c3cccc(OC)c3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346698 JK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)/C=C/c3cccc(Cl)c3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346700 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)/C=C/c2ccccc2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346714 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)/C=C/c3ccccc3)[C@@]2(C)CO)[C@@H]1C/C=C1\C=COC1=O ZINC000169346723 JK Annotated Mild CCOP(=O)(OCC)[C@@H](O)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346755 JK Annotated Bother CCOP(=O)(OCC)[C@H](O)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346756 JK Annotated Bother CCO[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)c1ccccc1 ZINC000169346765 JK Annotated Anodyne CCO[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)c1ccccc1 ZINC000169346766 JK Annotated Anodyne CCO[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 ZINC000169346775 JK Annotated Bother CCO[P@](=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 ZINC000169346776 JK Annotated Bother CCCOc1ccccc1-c1cc(Nc2cccc(C[P@@](=O)(CCC)OCC)c2)ncn1 ZINC000169346843 JK Annotated Anodyne CCCOc1ccccc1-c1cc(Nc2cccc(C[P@](=O)(CCC)OCC)c2)ncn1 ZINC000169346845 JK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OC(C)C)ncn2)c1)OCC ZINC000169346846 JK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OC(C)C)ncn2)c1)OCC ZINC000169346847 JK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3Oc3ccccc3)ncn2)c1)OCC ZINC000169346848 JK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3Oc3ccccc3)ncn2)c1)OCC ZINC000169346850 JK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc(OC)c3OC)ncn2)c1)OCC ZINC000169346859 JK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3cccc(OC)c3OC)ncn2)c1)OCC ZINC000169346861 JK Annotated Anodyne CCO[P@@](=O)(CC)Cc1cccc(Nc2cc(-c3ccccc3OCc3ccccc3)ncn2)c1 ZINC000169346871 JK Annotated Anodyne CCO[P@](=O)(CC)Cc1cccc(Nc2cc(-c3ccccc3OCc3ccccc3)ncn2)c1 ZINC000169346872 JK Annotated Anodyne C=C1CCC[C@@H]2Nc3c(ccc4ccccc34)[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346910 JK Annotated Mild C=C1CCC[C@@H]2Nc3c(Br)cccc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346911 JK Annotated Mild C=C1CCC[C@@H]2Nc3cc(Br)ccc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346912 JK Annotated Mild C=C1CCC[C@@H]2Nc3cccc(Br)c3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346913 JK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Cl)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346914 JK Annotated Mild C=C1CCC[C@@H]2Nc3c(Cl)cc(Cl)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346915 JK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346916 JK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(C)cc1 ZINC000169346941 JK Annotated Mild C[C@H]1C(=O)[C@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccc(F)c1 ZINC000169346984 JK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000169346986 JK Annotated Anodyne COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC ZINC000169347900 JK Annotated Bother O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1[C@@H](Cc2ccccc2)[C@@H]2CC[C@@H]1C2 ZINC000169348008 JK Annotated Anodyne S=c1oc(Cc2ccccc2Nc2c(Cl)cccc2Cl)nn1CN1CCOCC1 ZINC000169348054 JK Annotated Anodyne C[C@@H]1CCCCN1Cn1nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)oc1=S ZINC000169348056 JK Annotated Anodyne C[C@H]1CCCCN1Cn1nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)oc1=S ZINC000169348057 JK Annotated Anodyne CN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1 ZINC000169348058 JK Annotated Anodyne CCN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1 ZINC000169348059 JK Annotated Anodyne CC1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1 ZINC000169348062 JK Annotated Anodyne S=c1oc(Cc2ccccc2Nc2c(Cl)cccc2Cl)nn1CNC1CCCCC1 ZINC000169348067 JK Annotated Anodyne S=c1oc(Cc2ccccc2Nc2c(Cl)cccc2Cl)nn1CNc1cccc(Cl)c1 ZINC000169348070 JK Annotated Anodyne O=C(NCCCNc1nc2cccc(Br)c2c2[nH]c3ccccc3c12)Nc1ccccc1 ZINC000169348180 JK Annotated Bother O=C(NCCCNc1nc2ccc(Br)cc2c2[nH]c3ccccc3c12)Nc1ccccc1 ZINC000169348183 JK Annotated Bother C[C@@H](CNC(=O)Nc1ccccc1)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 ZINC000169348188 JK Annotated Bother C[C@H](CNC(=O)Nc1ccccc1)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 ZINC000169348189 JK Annotated Bother CC(C)(CNC(=O)Nc1ccccc1)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 ZINC000169348190 JK Annotated Bother O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(F)cc4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348210 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(F)cc4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348211 JK Annotated Anodyne NC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)O)c6)c5c4)cc32)c1 ZINC000169348515 JK Annotated Anodyne O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc2c(s1)CSc1cc(Cl)c(Cl)cc1-2 ZINC000169348591 JK Annotated Mild C1=C\CCCCCC[C@@H]2CN3CC/C=C\C=C\CCCCc4cc(c[n+](c4)CC\C=C/1)[C@@H]2CC3 ZINC000169348623 JK Annotated Anodyne C1=C\CCCCCC[C@@H]2CN3CC/C=C/C=C/CCCCc4cc(c[n+](c4)CC\C=C/1)[C@@H]2CC3 ZINC000169348624 JK Annotated Anodyne N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Br)cc2)[C@@H]2CCCC=C12 ZINC000169348675 JK Annotated Reactive COC(=O)C/C=C\[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000169348868 JK Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000169348870 JK Annotated Anodyne COc1cc2cc(C(=O)C[C@@H]3CC[C@@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000169349099 JK Annotated Bother COc1cc2cc(C(=O)C[C@H]3CC[C@@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000169349102 JK Annotated Bother Oc1ccc2oc(-c3ccc(Cl)c(Cl)c3)cc2c1CN1CCC(N2CCCCC2)CC1 ZINC000169349588 JK Annotated Clean COc1ccc(-c2cc3c(CN4CCC(N5CCCCC5)CC4)c(O)ccc3o2)c(OC)c1 ZINC000169349594 JK Annotated Clean O=C(CCCCCCCCCCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CCCC1=O ZINC000169349653 JK Annotated Mild Oc1ccc2oc(-c3ccccc3OCc3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1 ZINC000169349794 JK Annotated Clean CN(CCC=C(c1ccccc1)c1ccccc1)[C@@H](CCN)C(=O)NCc1ccccc1Cl ZINC000169349910 JK Annotated Anodyne CN(CCC=C(c1ccccc1)c1ccccc1)[C@H](CCN)C(=O)NCc1ccccc1Cl ZINC000169349911 JK Annotated Anodyne c1ccc(-c2coc(Nc3cc(-c4ccccc4)n(-c4nc(-c5ccccc5)cs4)n3)n2)cc1 ZINC000169350089 JK Annotated Anodyne c1ccc(-c2c[nH]c(Nc3cc(-c4ccccc4)n(-c4nc(-c5ccccc5)cs4)n3)n2)cc1 ZINC000169350095 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000169350206 JK Annotated Reactive CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000169350208 JK Annotated Reactive COc1cc(OC)n2cc(-c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)nc2n1 ZINC000169350228 JK Annotated Anodyne C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/C3CCCCC3)C/C=C\[C@@H](O)C1)O2 ZINC000169350703 JK Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/C3CCCCC3)C/C=C\[C@@H](O)C1)O2 ZINC000169350705 JK Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/C3CCCCC3)C/C=C/[C@@H](O)C1)O2 ZINC000169350707 JK Annotated Mild COc1c2occc2c(OC)c2c(=O)c(CN3CCOCC3)c(/C=C/c3ccc(Cl)cc3)oc12 ZINC000169351363 JK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccs2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351761 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nccs2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351762 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccnc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351766 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169351767 JK Annotated Mild O=C(NCc1ccc(F)cc1F)c1c(Nc2ccc(-c3ccccc3)cc2)c2cccnc2n(O)c1=O ZINC000169351994 JK Annotated Anodyne CCOC(OCC)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1 ZINC000169352045 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352076 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(F)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352080 JK Annotated Mild O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1cccnc1Nc1ccc(F)cc1 ZINC000169352328 JK Annotated Anodyne O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1cccnc1Nc1cccc(F)c1 ZINC000169352333 JK Annotated Anodyne C1=C[N+]2=C([C@H]3c4ccccc4[C@H]2CC3(c2ccoc2)c2ccoc2)[C@H]1c1cccc2ccccc12 ZINC000169352383 JK Annotated Anodyne C1=C[N+]2=C([C@H]1c1cccc3ccccc13)[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000169352385 JK Annotated Anodyne Cc1nc2c(ccc3ccccc32)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000169352738 JK Annotated Bother Cc1nc2c(c(-c3ccc4c(c3)CCCO4)c1[C@H](OC(C)(C)C)C(=O)O)CCCc1ccccc1-2 ZINC000169352740 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3)CCCO4)c2C)cc1 ZINC000169352742 JK Annotated Anodyne Cc1cccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3)CCCO4)c2C)c1 ZINC000169352743 JK Annotated Anodyne Cc1cc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3)CCCO4)c2C)ccc1Cl ZINC000169352744 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3C)CCCO4)c2C)cc1C ZINC000169352750 JK Annotated Anodyne O=c1[nH]c(N/N=C/c2ccc(Cl)cc2)nc2nc(-c3cccs3)cc(-c3ccccc3)c12 ZINC000169352763 JK Annotated Mild COc1ccc(/C=N/Nc2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)[nH]2)cc1 ZINC000169352766 JK Annotated Mild CC(=O)c1nn(-c2ccccc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352772 JK Annotated Anodyne CC(=O)c1nn(-c2ccc(F)cc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352773 JK Annotated Anodyne CC(=O)c1nn(-c2ccc(C)cc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352777 JK Annotated Anodyne CCC(=O)c1nn(-c2ccccc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352780 JK Annotated Anodyne CCC(=O)c1nn(-c2ccc(C)cc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352782 JK Annotated Anodyne Cc1nccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2CC2CC2)c1C(C)C ZINC000169353311 JK Annotated Anodyne CC[C@@H]1[C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000169354213 JK Annotated Mild C[C@@H]1[C@H](C(=O)N2CCCC2)c2cc3ccccc3nc2-c2nc3ccccc3cc2[C@@H]1c1ccccc1 ZINC000169354273 JK Annotated Anodyne C[C@H]1[C@H](C(=O)N2CCCC2)c2cc3ccccc3nc2-c2nc3ccccc3cc2[C@@H]1c1ccccc1 ZINC000169354274 JK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/OC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000169354464 JK Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(=C(\O)OCC)/C(=N\c2ccccc2)C[C@@]1(C)O ZINC000169354550 JK Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(=C(/O)OCC)/C(=N\c2ccccc2)C[C@@]1(C)O ZINC000169354551 JK Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(=C(\O)OCC)/C(=N/c2ccccc2)C[C@@]1(C)O ZINC000169354552 JK Annotated Mild CC(=O)c1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000169354649 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000169354650 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000169354651 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccc([N+](=O)[O-])cc1 ZINC000169354849 JK Annotated Bother Cc1cc2c(nc1C)CCCCN2C[C@@H](C)O/N=C\[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000169354998 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@@H](C)O/N=C/[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000169354999 JK Annotated Mild CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1[N+](=O)[O-] ZINC000169355000 JK Annotated Bother CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1F ZINC000169355004 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1cccc(F)c1 ZINC000169355017 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1cccc(Cl)c1 ZINC000169355024 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1OC ZINC000169355058 JK Annotated Anodyne CCCCCCN1C[C@@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169355063 JK Annotated Anodyne C1=C\CCCCC[C@H]2CN3CC/C=C/CCCCCC[C@@H]4C[C@@H](CN(CC/C=C\C/1)C4)[C@H]2CC3 ZINC000169355188 JK Annotated Anodyne C1=C\CCN2C[C@@H]3CCCCCC/C=C\CCN4CC[C@@H]([C@@H](CCCCC/C=C/C/1)C4)[C@@H](C3)C2 ZINC000169355189 JK Annotated Anodyne C1=C\CCN2C[C@@H]3CCCCCC/C=C/CCN4CC[C@@H]([C@@H](CCCCC/C=C/C/1)C4)[C@@H](C3)C2 ZINC000169355190 JK Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@@H](C)[C@@H]21 ZINC000169355371 JK Annotated Anodyne C[C@@H]1c2nc(NC(=O)Nc3ccc(F)cc3F)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000169355372 JK Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@@H](C)[C@@H]21 ZINC000169355373 JK Annotated Anodyne C[C@@H]1c2nc(NC(=O)Nc3ccc(F)cc3F)sc2C[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12 ZINC000169355374 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)c1 ZINC000169355377 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)c1 ZINC000169355378 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)c1 ZINC000169355379 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)c1 ZINC000169355380 JK Annotated Anodyne CC(/C=C\C=C(/C)C(=O)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000169355410 JK Annotated Mild CC(C)=CCN1C(=O)[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169355477 JK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000169355975 JK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169356103 JK Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169356104 JK Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169356106 JK Annotated Anodyne O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000169356127 JK Annotated Anodyne O[C@H]1C[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000169356128 JK Annotated Anodyne C1=C\CCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000169356184 JK Annotated Anodyne CC[C@@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000169356475 JK Annotated Anodyne CC[C@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000169356476 JK Annotated Anodyne Clc1ccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 ZINC000169356630 JK Annotated Anodyne Clc1ccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 ZINC000169356631 JK Annotated Anodyne Clc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 ZINC000169356632 JK Annotated Anodyne Clc1ccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 ZINC000169356633 JK Annotated Anodyne C[N+](C)(C)CCO[P@@](=O)(O)OCCC12C[C@H]3C[C@@H](CC(CCOCc4ccccc4)(C3)C1)C2 ZINC000169356641 JK Annotated Bother c1ccc([C@H]2CC3(N4CCCCC4)C[C@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000169356658 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccc4c(c3)OCO4)[C@H]3CCCC[C@H]32)cc1 ZINC000169356712 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccc4c(c3)OCO4)[C@H]3CCCC[C@@H]32)cc1 ZINC000169356713 JK Annotated Anodyne c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@H]3c3c[nH]c4ccccc34)[C@@H]3CCCC[C@H]32)cc1 ZINC000169356714 JK Annotated Anodyne c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3c[nH]c4ccccc34)[C@@H]3CCCC[C@H]32)cc1 ZINC000169356715 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@H]3c3c[nH]c4ccccc34)[C@@H]3CCCC[C@H]32)cc1 ZINC000169356716 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3c[nH]c4ccccc34)[C@@H]3CCCC[C@H]32)cc1 ZINC000169356718 JK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)CCN(CCCN4CCCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169356943 JK Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169357348 JK Annotated Mild CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169357349 JK Annotated Mild CC/C=C/[C@H]1C/C=C\C=C/[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358206 JK Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C\[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358207 JK Annotated Anodyne CC/C=C/[C@H]1C/C=C\C=C\[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358208 JK Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C/[C@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358209 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)Cn2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000169358233 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)Cn2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000169358234 JK Annotated Anodyne CCC(C)(C)C[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169358609 JK Annotated Mild CCC(C)(C)C[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169358610 JK Annotated Mild CCC(C)(C)C[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169358611 JK Annotated Mild CCC(C)(C)C[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169358612 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000169358674 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000169358675 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CSc2ccccc2)[C@@]13C(=O)O ZINC000169358676 JK Annotated Mild O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCCCC3)ccc1C2)c1ccc(Cl)s1 ZINC000169359032 JK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000169359054 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000169359055 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccccc2)[C@@]13C(=O)O ZINC000169359056 JK Annotated Mild Cc1cc(C)cc(C(=O)N2[C@@H]3C=C(c4ccccc4)[C@@H]2C[C@@H](NCc2ccnc4ccccc24)C3)c1 ZINC000169360703 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@@H](NCc4ccnc5ccccc45)C[C@@H]2C=C3c2ccccc2)c1 ZINC000169360704 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(F)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169360716 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@](C)(F)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169360718 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@](C)(F)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169360720 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@](C)(F)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000169360721 JK Annotated Clean CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1Cl ZINC000169360880 JK Annotated Anodyne CCCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169360908 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169360909 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169360910 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169360911 JK Annotated Mild O[C@H]1/C2=C\C/C=C\C=C/C=C\CCN3C[C@]45CCCCCCCCCCCCN(C[C@@H]1[C@@H]4C[C@@H]23)C5 ZINC000169361809 JK Annotated Anodyne O[C@H]1/C2=C/C/C=C\C=C/C=C\CCN3C[C@]45CCCCCCCCCCCCN(C[C@@H]1[C@@H]4C[C@@H]23)C5 ZINC000169361810 JK Annotated Anodyne O[C@H]1/C2=C\C/C=C/C=C\C=C/CCN3C[C@]45CCCCCCCCCCCCN(C[C@@H]1[C@@H]4C[C@@H]23)C5 ZINC000169361811 JK Annotated Anodyne O[C@H]1/C2=C/C/C=C/C=C\C=C/CCN3C[C@]45CCCCCCCCCCCCN(C[C@@H]1[C@@H]4C[C@@H]23)C5 ZINC000169361812 JK Annotated Anodyne C=C1CC[C@@H]2CC[C@H](OC(=O)C/C(C)=C\[C@@H](OC(=O)c3ccc(Cl)cc3)C1)C(=O)C2(C)C ZINC000169362303 JK Annotated Mild C[C@H]1CN(C)CC[C@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000169362437 JK Annotated Anodyne C[C@@H](CC[C@H]1CCN(C)C[C@@H]1C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000169362439 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1cccc([N+](=O)[O-])c1 ZINC000169362534 JK Annotated Bother COC(=O)[C@@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000169362576 JK Annotated Mild C[C@@H](CC[C@@H]1CCN(C)C[C@@H]1C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000169362738 JK Annotated Anodyne C[C@H]1CN(C)CC[C@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000169362739 JK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\C=O)[C@@]3(C)CC[C@H]21 ZINC000169363000 JK Annotated Reactive O=C1CS/C(=N/N=C2[C@@H]3CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)N1 ZINC000169363053 JK Annotated Mild O=C1CS/C(=N/N=C2[C@H]3CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)N1 ZINC000169363054 JK Annotated Mild O=C1CS/C(=N\N=C2[C@@H]3CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)N1 ZINC000169363117 JK Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)N1 ZINC000169363118 JK Annotated Mild C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C\[C@@H](O)C1)N(CCc1c[nH]c4ccccc14)C3=O)C2(C)C ZINC000169363723 JK Annotated Mild c1ccc([C@H]2CC3(N4CCCC4)CCN(CCCN4CCCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169363735 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@@H](NCc4ccnc5ccccc45)C[C@H]2C[C@H]3c2ccccc2)c1 ZINC000169364207 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@@H]3C[C@H](NCc4ccnc5ccccc45)C[C@H]2[C@H](c2ccccc2)C3)c1 ZINC000169364208 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@@H](NCc4ccnc5ccccc45)C[C@H]2C[C@@H]3c2ccccc2)c1 ZINC000169364209 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@@H]3C[C@H](NCc4ccnc5ccccc45)C[C@H]2[C@@H](c2ccccc2)C3)c1 ZINC000169364210 JK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000169365535 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000169365536 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4[nH]cnc4c2)[C@@]13C(=O)O ZINC000169365537 JK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000169366233 JK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C/C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000169367151 JK Annotated Mild O[C@@H]1CN(Cc2cccs2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000169367271 JK Annotated Anodyne O[C@H]1CN(Cc2cccs2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000169367272 JK Annotated Anodyne O[C@@H]1/C=C\C=C\CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000169367337 JK Annotated Anodyne O[C@@H]1/C=C/C=C\CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000169367338 JK Annotated Anodyne O[C@@H]1/C=C/C=C/CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000169367339 JK Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@@H](OCc1cccc(Br)c1)[C@@H](C)[C@@H](OC)C1CCCCC1 ZINC000169367990 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](OCc1cccc(Br)c1)[C@@H](C)[C@@H](OC)C1CCCCC1 ZINC000169367992 JK Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)[C@@H](OC)C1CCCCC1 ZINC000169367993 JK Annotated Anodyne O[C@H]1/C=C/C=C\C=C/CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C1)C4)[C@@H]2CC3 ZINC000169368570 JK Annotated Anodyne O[C@H]1/C=C\C=C\C=C/CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C1)C4)[C@@H]2CC3 ZINC000169368571 JK Annotated Anodyne O[C@H]1/C=C/C=C/C=C\CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C1)C4)[C@@H]2CC3 ZINC000169368572 JK Annotated Anodyne C/C(=C\[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169369108 JK Annotated Clean C/C(=C\[C@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169369109 JK Annotated Clean C/C(=C\[C@@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169369110 JK Annotated Clean COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000169369376 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@H](O)/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000169369377 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000169369378 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@H](O)/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)c1 ZINC000169369379 JK Annotated Anodyne C1=C2CCCC/C=C\C=C/CCN3CC[C@H]4[C@@H]1CN(CC/C=C\C=C/CCCCCC[C@@H]4C3)C2 ZINC000169369488 JK Annotated Anodyne C1=C2CCCC/C=C/C=C\CCN3CC[C@H]4[C@@H]1CN(CC/C=C\C=C/CCCCCC[C@@H]4C3)C2 ZINC000169369489 JK Annotated Anodyne C1=C2CCCC/C=C/C=C/CCN3CC[C@H]4[C@@H]1CN(CC/C=C\C=C/CCCCCC[C@@H]4C3)C2 ZINC000169369490 JK Annotated Anodyne C/C1=C/CC/C(C)=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O ZINC000169369623 JK Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000169369698 JK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000169369835 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)C[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000169369836 JK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000169369837 JK Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C)C(=O)C[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000169369838 JK Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)C[C@@H]2Nc3ccc(Cl)cc3C(=O)[C@@H]12 ZINC000169370174 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)C[C@@H]2Nc3ccc(Cl)cc3C(=O)[C@@H]12 ZINC000169370175 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)C[C@H]2Nc3ccc(Cl)cc3C(=O)[C@@H]12 ZINC000169370176 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)C[C@H]2Nc3ccc(Cl)cc3C(=O)[C@@H]12 ZINC000169370177 JK Annotated Mild C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCCCCC[C@H](O)[C@@H](C)N ZINC000169370210 JK Annotated Anodyne CC[C@@H](C)C(=O)[C@@]12C(=O)C=C(O)[C@@H](C[C@H](CC=C(C)C)[C@@]1(C)CC/C=C(\C)CCC=C(C)C)C2=O ZINC000169370218 JK Annotated Mild CC[C@H](C)C(=O)[C@@]12C(=O)C=C(O)[C@@H](C[C@H](CC=C(C)C)[C@@]1(C)CC/C=C(\C)CCC=C(C)C)C2=O ZINC000169370219 JK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)C=C(O)[C@@H](C[C@H](CC=C(C)C)[C@@]1(C)CC/C=C(\C)CCC=C(C)C)C2=O ZINC000169370220 JK Annotated Mild CC[C@H](C)C(=O)[C@]12C(=O)C=C(O)[C@@H](C[C@H](CC=C(C)C)[C@@]1(C)CC/C=C(\C)CCC=C(C)C)C2=O ZINC000169370221 JK Annotated Mild CN(CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@@H]23)cc1)Cc1ccc(F)cc1 ZINC000169370243 JK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@@H]23)cc1)Cc1ccc(F)cc1 ZINC000169370244 JK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000169370337 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000169370338 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000169370339 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000169370340 JK Annotated Anodyne Cc1ccnc(C2(O)C[C@@H]3CC[C@@H](C2)N3[C@@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000169370666 JK Annotated Anodyne C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@H]2C[C@H]1CC[C@@]2(C)O ZINC000169370682 JK Annotated Reactive C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169370683 JK Annotated Reactive C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169370684 JK Annotated Reactive O=C(CCN1CCCC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169371084 JK Annotated Anodyne C/C1=C\C[C@@H](c2ccc3cccnc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000169371660 JK Annotated Anodyne C#CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169371941 JK Annotated Mild C#CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169371942 JK Annotated Mild C#CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169371943 JK Annotated Mild C#CC[C@]1(O)CC[C@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169371944 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@@H]2[C@@H](CC(CO)=C[C@H]3[C@H]2[C@H](C)C[C@@H]2[C@@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000169372381 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@H]2[C@@H](CC(CO)=C[C@H]3[C@H]2[C@H](C)C[C@@H]2[C@@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000169372382 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@@H]2[C@H](CC(CO)=C[C@H]3[C@H]2[C@H](C)C[C@@H]2[C@@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000169372383 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@H]2[C@H](CC(CO)=C[C@H]3[C@H]2[C@H](C)C[C@@H]2[C@@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000169372384 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000169372568 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000169372569 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccc(C#N)c2)[C@@]13C(=O)O ZINC000169372570 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372828 JK Annotated Mild C=CCCCCC(=O)OCC[C@]12C[C@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372829 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372830 JK Annotated Mild C=CCCCCC(=O)OCC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372831 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169372884 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169372885 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169372886 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]43C(=O)O)cc1 ZINC000169372887 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000169372950 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000169372951 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(F)cc2)[C@@]13C(=O)O ZINC000169372952 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000169373005 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000169373006 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccs2)[C@@]13C(=O)O ZINC000169373007 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000169373010 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000169373011 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000169373049 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000169373050 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Cl)cc2)[C@@]13C(=O)O ZINC000169373051 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000169373099 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000169373100 JK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCCC2)[C@@]13C(=O)O ZINC000169373101 JK Annotated Mild C=C1CC(=O)/C=C\C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169373152 JK Annotated Mild C=C1CC(=O)/C=C\C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169373153 JK Annotated Mild C=C1CC(=O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169373154 JK Annotated Mild COC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000169373263 JK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000169373329 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000169373330 JK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000169373459 JK Annotated Mild C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000169373460 JK Annotated Mild Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2CC=C(c2ccccc2)c2ccccc2)cc1 ZINC000169435835 JK Annotated Anodyne C(#Cc1ccc(Cn2c[n+](Cc3ccc(C#Cc4ccccc4)cc3)c3ccccc32)cc1)c1ccccc1 ZINC000169470551 JK Annotated Mild CC(C)=CCC[C@@]1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3 ZINC000169490130 JK Annotated Mild COC(=O)c1[nH]c(C(=O)OC)c2c1-c1c[nH]c3ccc(Cl)c(c13)[C@@]21C=Nc2ccc(Cl)cc21 ZINC000169527363 JK Annotated Anodyne C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O ZINC000169539311 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@@H]2[C@@]1(C)CC3 ZINC000169574611 JK Annotated Anodyne in-man CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@@H]2[C@@]1(C)CC3 ZINC000169574623 JK Annotated Anodyne in-man CC1(C)C(=O)CC[C@@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@@H]2[C@@]1(C)CC3 ZINC000169574630 JK Annotated Anodyne in-man CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@@H]2[C@@]1(C)CC3 ZINC000169574642 JK Annotated Anodyne in-man CC(=O)OC[C@@H]1C[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCC[C@H](C)C(=O)O)[C@]21C ZINC000169621742 JK Annotated Mild CCC/C=C\C(Br)=C/[C@H](O)CCCCCC/C=C/C#CC#CCCC(=O)OCC ZINC000169622012 JK Annotated Mild CCC/C=C\C(Br)=C/[C@@H](O)CCCCCC/C=C/C#CC#CCCC(=O)OCC ZINC000169622013 JK Annotated Mild CC(C)CCCCCCCCCCCOC(=O)[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169622297 JK Annotated Anodyne CC(C)CCCCCCCCCCCOC(=O)[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169622298 JK Annotated Anodyne CC(C)CCCCCCCCCCCOC(=O)[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169622299 JK Annotated Anodyne CC(C)CCCCCCCCCCCOC(=O)[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169622300 JK Annotated Anodyne CC(=O)[C@@]1(C)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@]2(C)[C@@]12OC(=O)C2=O ZINC000169638742 JK Annotated Anodyne CC1(C)CCC[C@]1(C)C1=C[C@H]2[C@@H]3[C@@H](C([C@@]4(C)CCCC4(C)C)=CC(=O)[C@]3(C)O)[C@@H]1C(=O)[C@]2(C)O ZINC000169640443 JK Annotated Mild CC(=O)O[C@@H](C)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@H](O)C[C@@H]12 ZINC000169641567 JK Annotated Anodyne COc1ccc([C@@H](C)C(=O)c2ccc(O[C@]3(C)CC[C@@H](C(C)C)[C@@H]4C=C(C)CC[C@H]43)cc2O)cc1 ZINC000169642228 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)[C@H](C=O)C(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000169645724 JK Annotated Mild CC(=O)Oc1cc(C)c2c(c1)C[C@@H]1[C@@](C)(CC[C@H]3[C@@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]13C)O2 ZINC000169645735 JK Annotated Anodyne C=C(C)[C@@H]1OC(=O)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]12 ZINC000169645832 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5C[C@H]5O[C@]54C[C@]3(C)CC[C@@H]12 ZINC000169646367 JK Annotated Anodyne C/C(=C\C=C/[C@@H](C)[C@]1(C)C[C@H]2O[C@@]23[C@@]1(C)CCC(=O)[C@@]31CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)C(=O)O ZINC000169646812 JK Annotated Anodyne C[C@]1(Br)CC[C@@H]([C@@](C)(Br)CBr)C[C@@H]1Br ZINC000169646915 JK Annotated Reactive C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC(=O)C(O)=C(C)[C@@H]5CC[C@]24C)[C@@H]3[C@H]1C ZINC000169647602 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(CO)[C@H]3CC[C@@]21C ZINC000169648035 JK Annotated Anodyne C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O ZINC000169648311 JK Annotated Reactive C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@]23C[C@@]21CC[C@@]1(C(=O)O)CCC(C)(C)[C@@H](O)[C@@H]31 ZINC000169648893 JK Annotated Anodyne C1=C\CCCC[C@@H]2CN3CCCC/C=C\CCCC[C@H]4C[C@H](CN(CCCCCC/1)C4)[C@H]2CC3 ZINC000169649644 JK Annotated Anodyne C1=C\CCCC[C@H]2CN3CCCC/C=C\CCCC[C@@H]4C[C@@H](CN(CCCCCC/1)C4)[C@@H]2CC3 ZINC000169649645 JK Annotated Anodyne C=C1CC[C@@H]2[C@H](c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C ZINC000169650001 JK Annotated Mild C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C/CC1)CO4)C3=O ZINC000169657257 JK Annotated Reactive C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000169660520 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]23C(=O)O[C@@H]3[C@H]1O ZINC000169660712 JK Annotated Anodyne ON=C1C2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000169662280 JK Annotated Mild CC1(C)[C@H]2[C@@H]3Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](c4ccccc4)[C@@]3(C)CC[C@H]3O[C@]3(C)CC[C@H]21 ZINC000169663733 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H]2C(C)C)[C@@H]1OC(C)=O ZINC000169665669 JK Annotated Anodyne C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@]14CC[C@]3(C)[C@@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O4)C2(C)C ZINC000169668941 JK Annotated Anodyne C=C1CCC[C@]2(C)C[C@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@@H]12 ZINC000169669790 JK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000169670545 JK Annotated Anodyne O=C1C=CC(=C(c2ccc(O)cc2)c2c(C#Cc3ccc(O)cc3)cccc2-c2ccc(O)cc2)C=C1 ZINC000169671817 JK Annotated Mild Cc1ccc2c(C)c(O)c(O)cc2c1CCC(C)(C)[C@]12CC[C@@]3(C)CC[C@](C)(C[C@@H]13)C(=O)O2 ZINC000169675610 JK Annotated Clean O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1ccccc1C1CCCCC1 ZINC000169684750 JK Annotated Anodyne O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1ccccc1C1CCCCC1 ZINC000169684751 JK Annotated Anodyne CC(C)c1ccc(C(C)C)c(S[C@@H]2C(=O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000169684759 JK Annotated Anodyne Cc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OC3C=CC=C3)cc2)c2ccc(O)cc12 ZINC000169685072 JK Annotated Anodyne CN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc4c(c3)CC[C@@H]4N=O)o2)cc1 ZINC000169686178 JK Annotated Anodyne CN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc4c(c3)CC[C@H]4N=O)o2)cc1 ZINC000169686179 JK Annotated Anodyne Oc1cc(N2CCC(c3nc4ccccc4o3)CC2)c(O)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000169686792 JK Annotated Anodyne N=C(N)c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]3[C@@H](c4ccccc4)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 ZINC000169687040 JK Annotated Anodyne N=C(N)c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]3[C@@H](c4ccccc4)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]23)cc1 ZINC000169687041 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687645 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687646 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687647 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000169687648 JK Annotated Anodyne CCOc1ccc(-n2c(O)c3c(c2O)[C@@H](/C=C/c2ccccc2)c2sc(=O)[nH]c2S3)cc1 ZINC000169687963 JK Annotated Anodyne CCOc1ccc(-n2c(O)c3c(c2O)[C@H](/C=C/c2ccccc2)c2sc(=O)[nH]c2S3)cc1 ZINC000169687964 JK Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000169688071 JK Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000169688072 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H](c2ccc(C)o2)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169688115 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H](c2ccc(C)o2)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169688116 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H](c2ccc(C)o2)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169688117 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H](c2ccc(C)o2)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169688118 JK Annotated Mild CCCCn1c(C(=O)OC)c(C(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C ZINC000169688164 JK Annotated Anodyne CN[C@H]1[C@@H](NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)[C@H]2CC[C@@H]1C2 ZINC000169688244 JK Annotated Anodyne CN[C@@H]1[C@@H](NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)[C@H]2CC[C@@H]1C2 ZINC000169688245 JK Annotated Anodyne CN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169688246 JK Annotated Anodyne CN[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169688247 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=S)c1/C=N/CCC/N=C/c1c(C)[nH]n(-c2ccccc2)c1=S ZINC000169688309 JK Annotated Mild Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1 ZINC000169688530 JK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1 ZINC000169688531 JK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1 ZINC000169688532 JK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1 ZINC000169688533 JK Annotated Anodyne CCN(CC)CCOC(=O)c1ccc(/N=C/[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000169688719 JK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000169688720 JK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000169688723 JK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000169688724 JK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000169688725 JK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@H](C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000169688726 JK Annotated Mild COc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)OC(=N)[C@@H]2C#N)c1OCc1ccc(F)cc1 ZINC000169688781 JK Annotated Mild COc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)OC(=N)[C@@H]2C#N)c1OCc1ccc(F)cc1 ZINC000169688782 JK Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000169688827 JK Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000169688828 JK Annotated Mild COc1cc(C/N=N/c2nc(Nc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC ZINC000169689441 JK Annotated Clean COc1cc(/C=N/n2c(O)csc2=S)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000169689651 JK Annotated Mild COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2/N=N/Cc2c(C)[nH]c3ccccc23)cc1 ZINC000169690319 JK Annotated Clean CC1=Nc2nc(C(=O)OC(C)C)nn2[C@H](c2cccc(Cl)c2)[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000169690449 JK Annotated Anodyne CC1=Nc2nc(C(=O)OC(C)C)nn2[C@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000169690450 JK Annotated Anodyne CC1=Nc2nc(C(=O)OC(C)C)nn2[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000169690451 JK Annotated Anodyne CC1=Nc2nc(C(=O)OC(C)C)nn2[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000169690452 JK Annotated Anodyne Oc1cc(S/C(=N/c2ccccc2)Nc2ccccc2)c(O)n1-c1cccc2ccccc12 ZINC000169690614 JK Annotated Mild COc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccc(Cl)c(C(=O)O)c2)cc1OC ZINC000169690793 JK Annotated Clean CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(=N)[C@@H](C#N)[C@@H]1c1ccccc1 ZINC000169691340 JK Annotated Mild CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(=N)[C@H](C#N)[C@@H]1c1ccccc1 ZINC000169691341 JK Annotated Mild O=N[C@@H](C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000169691384 JK Annotated Reactive O=N[C@H](C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000169691385 JK Annotated Reactive O=N[C@@H](C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000169691386 JK Annotated Reactive O=N[C@H](C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000169691387 JK Annotated Reactive CCOC(=O)[C@@H](/C=N/c1ccccc1C(F)(F)F)Sc1ncc(C(F)(F)F)cc1Cl ZINC000169691700 JK Annotated Mild CCOC(=O)[C@H](/C=N/c1ccccc1C(F)(F)F)Sc1ncc(C(F)(F)F)cc1Cl ZINC000169691701 JK Annotated Mild CCCOc1ccc(-n2c(O)cc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c2O)cc1 ZINC000169691765 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/Cc1c(C)[nH]c2ccccc12 ZINC000169691886 JK Annotated Clean CCSC1=N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000169691891 JK Annotated Mild CCSC1=N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000169691892 JK Annotated Mild C=CCSC1=N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000169691893 JK Annotated Mild C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC)C[C@H]4[C@]3(C)CC[C@]12C ZINC000169692017 JK Annotated Clean C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC)C[C@@H]4[C@]3(C)CC[C@]12C ZINC000169692018 JK Annotated Clean Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3cccc(-n4c(O)ccc4O)c3)nc12 ZINC000169692226 JK Annotated Anodyne CCOc1cc(C/N=N/c2nc(O)c(CC(=O)O)s2)ccc1OCc1ccccc1Cl ZINC000169692246 JK Annotated Clean COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N(c3sc4c(c3C#N)CCCC4)C(=N)[C@@H]2C#N)cc1 ZINC000169692299 JK Annotated Mild COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N(c3sc4c(c3C#N)CCCC4)C(=N)[C@@H]2C#N)cc1 ZINC000169692300 JK Annotated Mild COc1cc(-c2[nH]ccc2Cl)oc1C1=c2[nH]/c3cc2[C@H](C(C)C)[C@H]1CCCCCCC/C=3 ZINC000169692407 JK Annotated Anodyne COc1cc(-c2[nH]ccc2Cl)oc1C1=c2[nH]/c3cc2[C@H](C(C)C)[C@H]1CCCCCCC\C=3 ZINC000169692408 JK Annotated Anodyne COc1cc(-c2[nH]ccc2Cl)oc1C1=c2[nH]/c3cc2[C@@H](C(C)C)[C@@H]1CCCCCCC/C=3 ZINC000169692409 JK Annotated Anodyne COc1cc(-c2[nH]ccc2Cl)oc1C1=c2[nH]/c3cc2[C@@H](C(C)C)[C@@H]1CCCCCCC\C=3 ZINC000169692410 JK Annotated Anodyne COC1=CC2=N/C1=C\c1ccc([nH]1)CCCC/C=C\CCCCCCCCCCc1ccc2o1 ZINC000169692416 JK Annotated Anodyne COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C\CCCCCCCCCCc1ccc2o1 ZINC000169692417 JK Annotated Anodyne COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCCCCCCCCc1ccc2o1 ZINC000169692418 JK Annotated Anodyne CN1C(=O)[C@@]2(C3=C(CC(C)(C)CC3=O)N(c3cc(Cl)cc(Cl)c3)C(=N)[C@@H]2C#N)c2ccccc21 ZINC000169693064 JK Annotated Mild CN1C(=O)[C@]2(C3=C(CC(C)(C)CC3=O)N(c3cc(Cl)cc(Cl)c3)C(=N)[C@@H]2C#N)c2ccccc21 ZINC000169693065 JK Annotated Mild CCOC(=O)[C@@H]1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N\c1ccc(OC)cc1 ZINC000169693139 JK Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N\c1ccc(OC)cc1 ZINC000169693141 JK Annotated Mild Fc1ccc(Br)cc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000169693244 JK Annotated Anodyne Fc1ccc(Br)cc1[C@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000169693245 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2ccc([CH-]/N=N/c3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)cc1 ZINC000169693281 JK Annotated Clean O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2ccccc2OCc2ccccc2)n1 ZINC000169693515 JK Annotated Clean Cc1ccc(-n2c(O)cc(N(CCc3ccccc3)C(=S)Nc3ccc(N(C)C)cc3)c2O)cc1 ZINC000169693844 JK Annotated Anodyne CCOC(=O)c1ccccc1-n1c(O)c2c(c1O)[C@@H](/C=C/c1ccccc1)c1sc(=O)[nH]c1S2 ZINC000169693849 JK Annotated Anodyne CCOC(=O)c1ccccc1-n1c(O)c2c(c1O)[C@H](/C=C/c1ccccc1)c1sc(=O)[nH]c1S2 ZINC000169693850 JK Annotated Anodyne C[C@@H](/N=N/c1nc2ccccc2o1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000169694202 JK Annotated Clean C[C@H](/N=N/c1nc2ccccc2o1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000169694203 JK Annotated Clean CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c([C@@H](C)N=O)n(Cc3ccccn3)c2c1 ZINC000169694355 JK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c([C@H](C)N=O)n(Cc3ccccn3)c2c1 ZINC000169694356 JK Annotated Anodyne [C-]#[N+]c1cccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000169694570 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cccn4C)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169694842 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cccn4C)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169694843 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cccn4C)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169694844 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cccn4C)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169694845 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccco4)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169694846 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccco4)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169694847 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccco4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169694848 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccco4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169694849 JK Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169694854 JK Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169694855 JK Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169694856 JK Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169694857 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccoc4)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169694910 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccoc4)cc3)[C@@H]2C2CCCCC2)cc1 ZINC000169694911 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccoc4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169694912 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccoc4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000169694913 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169694922 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169694923 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169694924 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169694925 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695047 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695048 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695049 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695050 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695101 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695102 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695103 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695104 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695105 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695106 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695107 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695108 JK Annotated Anodyne CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCN(C)C ZINC000169695238 JK Annotated Mild CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC#N ZINC000169695307 JK Annotated Mild CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC#N ZINC000169695308 JK Annotated Mild CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC#N ZINC000169695309 JK Annotated Mild CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC#N ZINC000169695310 JK Annotated Mild CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(=O)O ZINC000169695319 JK Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(=O)O ZINC000169695320 JK Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)O ZINC000169695321 JK Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)O ZINC000169695322 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000169695351 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000169695352 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000169695353 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000169695354 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cscc2C)cc1 ZINC000169695355 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cscc2C)cc1 ZINC000169695356 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cscc2C)cc1 ZINC000169695357 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cscc2C)cc1 ZINC000169695358 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695367 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695368 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695369 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695370 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695391 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695392 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695393 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695394 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccco2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695395 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)c2ccco2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695396 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)c2ccco2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695397 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)c2ccco2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695398 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000169695491 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000169695492 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000169695493 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000169695494 JK Annotated Anodyne COCCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695527 JK Annotated Anodyne COCCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695528 JK Annotated Anodyne COCCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695529 JK Annotated Anodyne COCCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695530 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695535 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695536 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695538 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695540 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695548 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695549 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695550 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695551 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695552 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695553 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695554 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695555 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695580 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695581 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695582 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695583 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695584 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695585 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695586 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695587 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695588 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695589 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695590 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695591 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695592 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695593 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695594 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695595 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695596 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695597 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695598 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695599 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695600 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695601 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695602 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695603 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695668 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695669 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695670 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695671 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000169695676 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000169695677 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(F)(F)F ZINC000169695678 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(F)(F)F ZINC000169695679 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169695680 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169695681 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169695682 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169695683 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695700 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695701 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695702 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695703 JK Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000169695704 JK Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000169695705 JK Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(F)(F)F ZINC000169695706 JK Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(F)(F)F ZINC000169695707 JK Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695708 JK Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695709 JK Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695711 JK Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695712 JK Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695713 JK Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695714 JK Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695715 JK Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695716 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695717 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695718 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695719 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695720 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695725 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695726 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695727 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695728 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169695729 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169695730 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169695731 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169695732 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695737 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695738 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695739 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695740 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169695789 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169695790 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169695791 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169695792 JK Annotated Anodyne COc1cc(F)ccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695805 JK Annotated Anodyne COc1cc(F)ccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695806 JK Annotated Anodyne COc1cc(F)ccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695807 JK Annotated Anodyne COc1cc(F)ccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695808 JK Annotated Anodyne COc1cc(F)ccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695809 JK Annotated Anodyne COc1cc(F)ccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695810 JK Annotated Anodyne COc1cc(F)ccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695811 JK Annotated Anodyne COc1cc(F)ccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695812 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695813 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695814 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695815 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695816 JK Annotated Anodyne COC1=C(C(=O)CC(C)C)[C@@H](c2ccccc2OC)N(c2ccc(-c3ccc(C)s3)cc2)C1=O ZINC000169695821 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695834 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695835 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695836 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695837 JK Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695842 JK Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695843 JK Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695844 JK Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695845 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695846 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695847 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695848 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000169695849 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)on1 ZINC000169695862 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)on1 ZINC000169695863 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)on1 ZINC000169695864 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)on1 ZINC000169695865 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695866 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695867 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695868 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695869 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695870 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695871 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695872 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695873 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695922 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695923 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695924 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695925 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695926 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695927 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695928 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695929 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695934 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695935 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695936 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000169695937 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695938 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695939 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695940 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000169695941 JK Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695942 JK Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695943 JK Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695944 JK Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695945 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCCO ZINC000169695954 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCCO ZINC000169695955 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCCO ZINC000169695956 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCCO ZINC000169695957 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)on1 ZINC000169695970 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)on1 ZINC000169695971 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)on1 ZINC000169695972 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)on1 ZINC000169695973 JK Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695974 JK Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695975 JK Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695976 JK Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695977 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695978 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695979 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695980 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695981 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169695982 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169695983 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169695984 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169695985 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695994 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695995 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695996 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695997 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169695998 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169695999 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169696000 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000169696001 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696006 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696007 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696008 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696009 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696010 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696011 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696012 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696013 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696014 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696015 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696016 JK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696017 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696018 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696019 JK Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696020 JK Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696021 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696042 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696043 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696044 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696045 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696050 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696051 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696052 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000169696053 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696058 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696059 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696060 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696061 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696066 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696067 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696068 JK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000169696069 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(=O)N(C)C ZINC000169696074 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(=O)N(C)C ZINC000169696075 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000169696076 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000169696077 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169696082 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169696083 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169696084 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169696085 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169696118 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169696119 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169696120 JK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000169696121 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696146 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696147 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696148 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696149 JK Annotated Anodyne C/C(=C1\C(=O)C(=O)N(c2ccc(-c3nc(C)no3)cc2)[C@@H]1c1ccccc1OC(C)C)C(C)C ZINC000169696158 JK Annotated Mild C/C(=C1\C(=O)C(=O)N(c2ccc(-c3nc(C)no3)cc2)[C@H]1c1ccccc1OC(C)C)C(C)C ZINC000169696159 JK Annotated Mild COCc1ccccc1[C@@H]1[C@@H](C(=O)CC2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696180 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696181 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696182 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696183 JK Annotated Anodyne CCOc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696184 JK Annotated Anodyne CCOc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696185 JK Annotated Anodyne CCOc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696186 JK Annotated Anodyne CCOc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696187 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(SC(F)(F)F)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169696212 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(SC(F)(F)F)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169696213 JK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(SC(F)(F)F)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169696214 JK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(SC(F)(F)F)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169696215 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696216 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696217 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696218 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696219 JK Annotated Anodyne CC(C)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696220 JK Annotated Anodyne CC(C)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696222 JK Annotated Anodyne CC(C)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696224 JK Annotated Anodyne CC(C)COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696225 JK Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696234 JK Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696235 JK Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696236 JK Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696237 JK Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696238 JK Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696239 JK Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696240 JK Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696241 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696266 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696267 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696268 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696269 JK Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696270 JK Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696271 JK Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696272 JK Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696273 JK Annotated Anodyne Cc1nc(-c2ccc(/N=C3/C[C@@H](C4CCCCC4)N(c4ccc(-c5noc(C)n5)cc4)C3=O)cc2)no1 ZINC000169696294 JK Annotated Mild Cc1nc(-c2ccc(/N=C3\C[C@@H](C4CCCCC4)N(c4ccc(-c5noc(C)n5)cc4)C3=O)cc2)no1 ZINC000169696295 JK Annotated Mild Cc1nc(-c2ccc(/N=C3\C[C@H](C4CCCCC4)N(c4ccc(-c5noc(C)n5)cc4)C3=O)cc2)no1 ZINC000169696296 JK Annotated Mild COCCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696369 JK Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696370 JK Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696371 JK Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696372 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696461 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696462 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696463 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696464 JK Annotated Anodyne CC(C)COc1ccccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696465 JK Annotated Anodyne CC(C)COc1ccccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696466 JK Annotated Anodyne CC(C)COc1ccccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696467 JK Annotated Anodyne CC(C)COc1ccccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696468 JK Annotated Anodyne CCOc1ncccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696473 JK Annotated Anodyne CCOc1ncccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696474 JK Annotated Anodyne CCOc1ncccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696475 JK Annotated Anodyne CCOc1ncccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696476 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696477 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696478 JK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696479 JK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696480 JK Annotated Anodyne CC(C)OCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696563 JK Annotated Anodyne CC(C)OCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696564 JK Annotated Anodyne CC(C)OCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696565 JK Annotated Anodyne CC(C)OCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696566 JK Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696575 JK Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696576 JK Annotated Anodyne CCOCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696577 JK Annotated Anodyne CCOCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696578 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)c2cc[nH]c2)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696611 JK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)c2cc[nH]c2)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696612 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)c2cc[nH]c2)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696613 JK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)c2cc[nH]c2)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696614 JK Annotated Anodyne CSc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696631 JK Annotated Anodyne CSc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696632 JK Annotated Anodyne CSc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696633 JK Annotated Anodyne CSc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696634 JK Annotated Anodyne C/N=C1/CC(C)(C)C(=O)OC2=C1[C@@H](c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696735 JK Annotated Mild COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696771 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCCO)N(c1ccc(-c3cccs3)cc1)C2=O ZINC000169696777 JK Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696783 JK Annotated Anodyne CC(C)Oc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696784 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3cccs3)cc1)C2=O ZINC000169696786 JK Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(SC)cc1 ZINC000169696789 JK Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169696790 JK Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696793 JK Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696795 JK Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696798 JK Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169696800 JK Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696801 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696810 JK Annotated Anodyne COc1cccc(OC)c1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696819 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OC(F)(F)F)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696820 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C2(CO)CCCCC2)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696822 JK Annotated Anodyne COCc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169696823 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1OCCN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696833 JK Annotated Anodyne CC(=O)N(C)c1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696838 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1CN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696840 JK Annotated Anodyne CC(=O)Nc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696841 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1NC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696843 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1NS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696844 JK Annotated Anodyne CNC(=O)c1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696848 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1C(=O)N(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696849 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1CC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696850 JK Annotated Anodyne COC(=O)Nc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696851 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OC(F)F)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696855 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696856 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCCO)N(c1ccc(-c3ccco3)cc1)C2=O ZINC000169696857 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCC#N)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696860 JK Annotated Mild COCCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696865 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696866 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCCO)N(c1ccc(-c3ccoc3)cc1)C2=O ZINC000169696872 JK Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696873 JK Annotated Anodyne COCc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696874 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC#N)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696875 JK Annotated Mild CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1C(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696878 JK Annotated Anodyne CNc1cc(-c2ccc(N3C(=O)c4n[nH]c(C(C)(C)C)c4[C@H]3c3ccccc3OC)cc2)on1 ZINC000169696888 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cc(NC(C)=O)no2)cc1 ZINC000169696889 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C(=O)O)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696898 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C(=O)O)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696900 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696906 JK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC#N)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696909 JK Annotated Mild CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCc1nnn[nH]1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696911 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(-c3ccco3)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696913 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(C)(C)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696918 JK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(=N)NO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696919 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)CN1C(=O)Nc1ccc(-c2ccsc2)cc1 ZINC000169696921 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)c2ccccc2)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696930 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696942 JK Annotated Anodyne COC(=O)n1nc(C(C)(C)C)c2c1C(=O)N(c1ccc(Br)cc1)[C@H]2c1ccccc1OC ZINC000169696948 JK Annotated Anodyne COc1cc(N2C(=O)c3n[nH]c(C(C)C)c3[C@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000169696953 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(NC(C)=O)c1 ZINC000169696955 JK Annotated Anodyne COC(=O)c1cc(N2C(=O)c3n[nH]c(C(C)C)c3[C@@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000169696959 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(C(N)=O)c1 ZINC000169696960 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000169696961 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000169696962 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000169696985 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696986 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696987 JK Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696989 JK Annotated Anodyne COC1(C(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)CCCCC1 ZINC000169697248 JK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698920 JK Annotated Mild CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698943 JK Annotated Mild CCN(CC)[C@H](C#N)c1ccc(/C=C/C(=O)/C=C/c2ccc([C@H](C#N)N(CC)CC)cc2C)c(C)c1 ZINC000169699855 JK Annotated Mild CCN(CC)[C@H](C#N)c1ccc(/C=C/C(=O)/C=C/c2ccc([C@@H](C#N)N(CC)CC)cc2C)c(C)c1 ZINC000169699856 JK Annotated Mild CCN(CC)[C@@H](C#N)c1ccc(/C=C/C(=O)/C=C/c2ccc([C@H](C#N)N(CC)CC)cc2C)c(C)c1 ZINC000169699857 JK Annotated Mild Cc1c(-c2ccc3cc(NC(=O)[C@H]4C[C@@H]4F)ncc3c2)cnc([C@@H](O)C(F)(F)F)c1Cl ZINC000169700116 JK Annotated Anodyne Cc1c(-c2ccc3cc(NC(=O)[C@H]4C[C@@H]4F)ncc3c2)cnc([C@H](O)C(F)(F)F)c1Cl ZINC000169700117 JK Annotated Anodyne COc1cc(Cl)cc(-c2ccc3c(c2)[C@@]2(N=C(N)N(C)O2)C2(CCc4ccccc4CC2)C3)c1 ZINC000169700348 JK Annotated Anodyne COc1cc(Cl)cc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)O2)C2(CCc4ccccc4CC2)C3)c1 ZINC000169700349 JK Annotated Anodyne CC(C)n1c(=O)oc2cc(NC(=O)[C@@H]3CC[C@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 ZINC000169700831 JK Annotated Mild CC(C)n1c(=O)oc2cc(NC(=O)[C@@H]3CC[C@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 ZINC000169700832 JK Annotated Anodyne Cc1ccc(C(=O)NS(=O)(=O)c2ccc(-c3cc4cc(-c5ccccc5)ccc4o3)cc2)s1 ZINC000169701109 JK Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4ccc(Cl)cc4n3)CC2)cc1F ZINC000169701450 JK Annotated Anodyne O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c2cc(F)ccc2c1 ZINC000169701475 JK Annotated Anodyne CC1(C)CC(C)(C)c2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)ccc2O1 ZINC000169702653 JK Annotated Anodyne CC[C@@H](Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Br)cc2)o1 ZINC000169702780 JK Annotated Anodyne CC[C@H](Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Br)cc2)o1 ZINC000169702781 JK Annotated Anodyne COC(=O)[C@H]1CC[C@](O)(c2ncc(-c3cc(C)cc(Nc4nc(C)cc(C)n4)c3)s2)CC1(C)C ZINC000169703162 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)c(CC)c1CC(=O)O ZINC000169703185 JK Annotated Anodyne CCCCc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(CCC)c2cc(OC)c(OC)cc12 ZINC000169703379 JK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2C(F)(F)F)c2cc(OC)c(OC)cc12 ZINC000169703380 JK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NCC(C)(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703463 JK Annotated Anodyne Cc1cn(-c2ccc(C(N)=O)c(NC3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703476 JK Annotated Anodyne Cc1cn(-c2ccc(C(N)=O)c(NCCCNC(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703479 JK Annotated Anodyne Cc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](N)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703480 JK Annotated Anodyne CC(C)c1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cccnc4)c3)ccnc21 ZINC000169703539 JK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2nccc(-n3cnc(-c4cccnc4)c3)c12 ZINC000169703543 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1 ZINC000169703638 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(OC(F)(F)F)c4)n3)c(Cl)cn2)CC1 ZINC000169703645 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cncc(Br)c4)n3)c(Cl)cn2)CC1 ZINC000169703646 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(C(F)(F)F)c4)n3)c(Cl)cn2)CC1 ZINC000169703647 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccc(C(F)(F)F)cc4)n3)c(Cl)cn2)CC1 ZINC000169703651 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccc(OC(F)F)cc4)n3)c(Cl)cn2)CC1 ZINC000169703652 JK Annotated Anodyne NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccc(F)c(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703662 JK Annotated Anodyne NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1 ZINC000169703663 JK Annotated Anodyne NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703664 JK Annotated Anodyne CCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703686 JK Annotated Anodyne CC(C)CN1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703699 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(N4CCC(c5ccccc5)CC4)n3)c(Cl)cn2)CC1 ZINC000169703706 JK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](CN5CCCC5)CC4)ncc3Cl)n2)c1 ZINC000169703714 JK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N5CCCCC5)CC4)ncc3Cl)n2)c1 ZINC000169703716 JK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N5CCCC5)CC4)ncc3Cl)n2)c1 ZINC000169703751 JK Annotated Anodyne COC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703781 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703787 JK Annotated Anodyne OCCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703788 JK Annotated Anodyne O=C([C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1)N1CCCC1 ZINC000169703795 JK Annotated Anodyne CCNC[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000169703803 JK Annotated Anodyne CCNC[C@@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000169703806 JK Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703854 JK Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703857 JK Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3c(F)cccc3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703863 JK Annotated Anodyne COc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 ZINC000169703869 JK Annotated Anodyne COc1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 ZINC000169703870 JK Annotated Anodyne COc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 ZINC000169703871 JK Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(Cl)c3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703874 JK Annotated Anodyne CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 ZINC000169703875 JK Annotated Anodyne Cc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 ZINC000169703878 JK Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1 ZINC000169703980 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(=O)O ZINC000169704010 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3Cl)cc2)c(CC)c1CC(=O)O ZINC000169704011 JK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)OCc3ccc4ccccc4c3)cc2)c(CC)c1CC(=O)O ZINC000169704013 JK Annotated Anodyne CCc1nn([C@@H](C)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O ZINC000169704035 JK Annotated Anodyne CCc1nn([C@H](C)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O ZINC000169704036 JK Annotated Anodyne Cc1cc([C@@H](Nc2ccc(C(F)(F)F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000169704078 JK Annotated Anodyne COCc1cccc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)c1 ZINC000169704116 JK Annotated Anodyne Cc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000169704413 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@H]1c1ccc(F)cc1 ZINC000169704542 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@@H]1c1ccc(F)cc1 ZINC000169704543 JK Annotated Anodyne Cc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc(C(C)C)n1 ZINC000169704688 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cc(C(F)(F)F)ncn4)ccn23)c1 ZINC000169704689 JK Annotated Anodyne Nc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1C(F)(F)F ZINC000169704695 JK Annotated Anodyne Cc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc(C(F)(F)F)n1 ZINC000169704698 JK Annotated Anodyne Cc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cc(C(F)(F)F)n1 ZINC000169704699 JK Annotated Anodyne CC(C)c1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704702 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(OC2CCCC2)cc(-c2cnc3cc(-c4ncccn4)ccn23)c1 ZINC000169704726 JK Annotated Anodyne CC(F)(F)c1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704738 JK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(-c2cnc3cc(-c4ncccn4)ccn23)cc(C(F)(F)F)c1 ZINC000169704747 JK Annotated Anodyne Cc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704751 JK Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)(F)c1ccccc1 ZINC000169704782 JK Annotated Mild COC(=O)[C@@H](Oc1cc2c(cc1OC)ncc1c2c(-c2ccc(C#N)cc2)nn1C)c1ccc(F)cc1 ZINC000169704783 JK Annotated Mild COC(=O)[C@H](Oc1cc2c(cc1OC)ncc1c2c(-c2ccc(C#N)cc2)nn1C)c1ccc(F)cc1 ZINC000169704784 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@](C)(C(=O)O)c1ccccc1 ZINC000169704789 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@](C)(C(=O)O)c1ccccc1 ZINC000169704790 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cnc2[nH]ccc2c1 ZINC000169704799 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cc2ccccc2s1 ZINC000169704806 JK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(N(C)C)c1 ZINC000169704810 JK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705507 JK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705508 JK Annotated Mild Cc1ccc(Cl)cc1N1C(=O)c2nc(-c3ccccc3O)n(C(C)C)c2[C@@H]1c1ccc(C#N)cc1 ZINC000169705509 JK Annotated Mild Cc1ccc(Cl)cc1N1C(=O)c2nc(-c3ccccc3O)n(C(C)C)c2[C@H]1c1ccc(C#N)cc1 ZINC000169705510 JK Annotated Mild CC(C)n1c(-c2ccnc(N)c2)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705755 JK Annotated Anodyne CC(C)n1c(-c2ccnc(N)c2)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705756 JK Annotated Anodyne NC1(c2ccc(-n3c(C4CC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705881 JK Annotated Anodyne CC(C)C(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1 ZINC000169707097 JK Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2Cl)c1 ZINC000169707147 JK Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCc3ccccc3)c2)c1 ZINC000169707263 JK Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OCc3ccccc3)cc2)c1 ZINC000169707292 JK Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(CCC(C)(C)C)c2)c1 ZINC000169707405 JK Annotated Anodyne CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CC[C@@H]3C[C@@H]2C3(C)C)c1=O ZINC000169707543 JK Annotated Anodyne CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CC[C@H]3C[C@@H]2C3(C)C)c1=O ZINC000169707544 JK Annotated Anodyne CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CC[C@@H]3C[C@H]2C3(C)C)c1=O ZINC000169707545 JK Annotated Anodyne CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C/C=C2\CC[C@H]3C[C@H]2C3(C)C)c1=O ZINC000169707546 JK Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cccc(C4(C(F)(F)F)N=N4)c3)c2)c2cncnc21 ZINC000169707844 JK Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)c2)c2cncnc21 ZINC000169707845 JK Annotated Anodyne Cc1ccc(Cn2c(-c3cc(C(C)C)ccn3)nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c32)cc1 ZINC000169708087 JK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3CF)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708091 JK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(Nc3ccccn3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708092 JK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N(C)c3ccccc3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708093 JK Annotated Anodyne CCCCn1ccc(C(C)(C)C)c/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000169708255 JK Annotated Anodyne CCCCn1cc(C(C)(C)C)cc/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C ZINC000169708256 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(C)=O)CC1)C(=O)C2 ZINC000169708264 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(C)=O)CC1)C(=O)C2 ZINC000169708265 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(C(C)=O)CC1)C(=O)C2 ZINC000169708290 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(C(C)=O)CC1)C(=O)C2 ZINC000169708291 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(C(C)(C)O)CC1)C(=O)C2 ZINC000169708292 JK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(C(C)(C)O)CC1)C(=O)C2 ZINC000169708293 JK Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4(C(F)(F)F)CC4)cc3)C2)ccn1 ZINC000169709422 JK Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C4(C(F)(F)F)CC4)cc3)C2)ccn1 ZINC000169709423 JK Annotated Anodyne C[C@H](NC(=O)C(F)(F)C(F)(F)F)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709744 JK Annotated Mild C[C@H](NC(=O)C(F)(F)C(F)(F)F)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709745 JK Annotated Mild Cc1ccncc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000169710318 JK Annotated Anodyne Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)F)CC[C@@]21Cc1ccccc1 ZINC000169710321 JK Annotated Anodyne Cc1ncccc1NC(=O)c1ccc2c(c1)C=C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000169710322 JK Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4C[C@H](C)O[C@H](C)C4)CC3)cc12 ZINC000169710323 JK Annotated Anodyne CCn1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000169710406 JK Annotated Anodyne CCn1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000169710407 JK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710410 JK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710411 JK Annotated Anodyne Cc1ncsc1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710422 JK Annotated Anodyne Cc1ncsc1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710423 JK Annotated Anodyne Cc1c([C@@H](C)NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000169710424 JK Annotated Anodyne Cc1c([C@H](C)NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000169710425 JK Annotated Anodyne Cc1c([C@@H](C)NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000169710426 JK Annotated Anodyne Cc1c([C@H](C)NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000169710427 JK Annotated Anodyne Cc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000169710428 JK Annotated Anodyne Cc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000169710429 JK Annotated Anodyne Nc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3cccc(F)c3)O4)s2)ccn1 ZINC000169710434 JK Annotated Anodyne Nc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3cccc(F)c3)O4)s2)ccn1 ZINC000169710435 JK Annotated Anodyne C[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1)c1ccncc1 ZINC000169710436 JK Annotated Anodyne C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1)c1ccncc1 ZINC000169710437 JK Annotated Anodyne C[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1)c1ccncc1 ZINC000169710438 JK Annotated Anodyne C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1)c1ccncc1 ZINC000169710439 JK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1 ZINC000169710444 JK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1 ZINC000169710445 JK Annotated Anodyne Cc1nccc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000169710448 JK Annotated Anodyne Cc1nccc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000169710449 JK Annotated Anodyne Cc1nn(C)cc1[C@@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710452 JK Annotated Anodyne Cc1nn(C)cc1[C@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710453 JK Annotated Anodyne Cc1nn(C)cc1[C@@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710454 JK Annotated Anodyne Cc1nn(C)cc1[C@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710456 JK Annotated Anodyne CN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000169710465 JK Annotated Anodyne CN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000169710466 JK Annotated Anodyne Cc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000169710471 JK Annotated Anodyne Cc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000169710472 JK Annotated Anodyne Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710473 JK Annotated Anodyne Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710474 JK Annotated Anodyne Cc1noc(C)c1CCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710477 JK Annotated Anodyne Cc1noc(C)c1CCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710478 JK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710479 JK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710480 JK Annotated Anodyne O=C(NCc1ccncc1Cl)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710481 JK Annotated Anodyne O=C(NCc1ccncc1Cl)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710482 JK Annotated Anodyne O=C(NCc1cn2ccccc2n1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710484 JK Annotated Anodyne O=C(NCc1cn2ccccc2n1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710485 JK Annotated Anodyne O=C(NCc1ccnc(O)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710486 JK Annotated Anodyne O=C(NCc1ccnc(O)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710487 JK Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1 ZINC000169710492 JK Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1 ZINC000169710493 JK Annotated Anodyne Cc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3cccc(F)c3)O4)s2)cnn1C ZINC000169710496 JK Annotated Anodyne Cc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3cccc(F)c3)O4)s2)cnn1C ZINC000169710497 JK Annotated Anodyne C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1nccs1 ZINC000169710502 JK Annotated Anodyne C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1nccs1 ZINC000169710503 JK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2Cl)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710504 JK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2Cl)CC[C@H](c2ccccc2)O3)s1 ZINC000169710505 JK Annotated Anodyne Cc1nccc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3cccc(F)c3)O4)s2)n1 ZINC000169710506 JK Annotated Anodyne Cc1nccc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3cccc(F)c3)O4)s2)n1 ZINC000169710507 JK Annotated Anodyne Cc1ccc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000169710515 JK Annotated Anodyne Cc1ccc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000169710517 JK Annotated Anodyne Cc1noc(C)c1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710519 JK Annotated Anodyne Cc1noc(C)c1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710521 JK Annotated Anodyne Cc1nn(C)c(C)c1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710524 JK Annotated Anodyne Cc1nn(C)c(C)c1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710525 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccnc(Cl)c1 ZINC000169710527 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccnc(Cl)c1 ZINC000169710528 JK Annotated Anodyne CCn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710531 JK Annotated Anodyne CCn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710532 JK Annotated Anodyne CCn1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000169710535 JK Annotated Anodyne CCn1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000169710536 JK Annotated Anodyne Cc1nc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cs1 ZINC000169710537 JK Annotated Anodyne Cc1nc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cs1 ZINC000169710538 JK Annotated Anodyne COc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000169710539 JK Annotated Anodyne COc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000169710540 JK Annotated Anodyne Cc1nc(C)c(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)o1 ZINC000169710541 JK Annotated Anodyne Cc1nc(C)c(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)o1 ZINC000169710542 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccncc1Cl ZINC000169710545 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccncc1Cl ZINC000169710547 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccncc1F ZINC000169710548 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccncc1F ZINC000169710549 JK Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000169710550 JK Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000169710551 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccnc(O)c1 ZINC000169710560 JK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccnc(O)c1 ZINC000169710561 JK Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)nc(C)n1 ZINC000169710567 JK Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)nc(C)n1 ZINC000169710568 JK Annotated Anodyne CCn1ccc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000169710569 JK Annotated Anodyne CCn1ccc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000169710570 JK Annotated Anodyne Cc1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C(=O)NCCc1ccncc1 ZINC000169710609 JK Annotated Anodyne Cc1nc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)sc1C(=O)NCCc1ccncc1 ZINC000169710610 JK Annotated Anodyne Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(O)c2)O3)s1 ZINC000169710611 JK Annotated Anodyne Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(O)c2)O3)s1 ZINC000169710612 JK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(O)c2)O3)s1 ZINC000169710613 JK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(O)c2)O3)s1 ZINC000169710614 JK Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCc4c(C)noc4C)s3)ccc2O1 ZINC000169710615 JK Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCc4c(C)noc4C)s3)ccc2O1 ZINC000169710616 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710620 JK Annotated Anodyne O=C(N[C@H](CO)c1ccccc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710623 JK Annotated Anodyne O=C(NC[C@H]1CCCC[C@H]1O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710627 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710628 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710629 JK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccsc2)O3)s1 ZINC000169710631 JK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccsc2)O3)s1 ZINC000169710632 JK Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccnc(Cl)c4)s3)ccc2O1 ZINC000169710635 JK Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccnc(Cl)c4)s3)ccc2O1 ZINC000169710636 JK Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cc(F)ccc2F)O3)s1 ZINC000169710637 JK Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cc(F)ccc2F)O3)s1 ZINC000169710639 JK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cncc(F)c2)O3)s1 ZINC000169710648 JK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cncc(F)c2)O3)s1 ZINC000169710649 JK Annotated Anodyne CCc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710708 JK Annotated Anodyne CCc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710710 JK Annotated Anodyne Cc1cccc(C)c1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710711 JK Annotated Anodyne Cc1cccc(C)c1[C@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710712 JK Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3nc(C)c(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710717 JK Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3nc(C)c(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710719 JK Annotated Anodyne Cc1ccc(F)cc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710729 JK Annotated Anodyne Cc1ccc(F)cc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710730 JK Annotated Anodyne Cc1cc2c(cc1Oc1ncc(C(=O)NCc3ccno3)s1)CC[C@@H](c1ccccc1C)O2 ZINC000169710748 JK Annotated Anodyne Cc1cc2c(cc1Oc1ncc(C(=O)NCc3ccno3)s1)CC[C@H](c1ccccc1C)O2 ZINC000169710749 JK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2cc3c(cc2C)O[C@@H](c2ccccc2C)CC3)s1 ZINC000169710750 JK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2cc3c(cc2C)O[C@H](c2ccccc2C)CC3)s1 ZINC000169710751 JK Annotated Anodyne COc1cccc([C@@H]2CCc3cc(Oc4ncc(C(=O)NCc5ccno5)s4)ccc3O2)c1F ZINC000169710754 JK Annotated Anodyne COc1cccc([C@H]2CCc3cc(Oc4ncc(C(=O)NCc5ccno5)s4)ccc3O2)c1F ZINC000169710755 JK Annotated Anodyne COc1c(F)cccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710770 JK Annotated Anodyne COc1c(F)cccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 ZINC000169710771 JK Annotated Anodyne CCO[P@@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169712592 JK Annotated Reactive CCO[P@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169712593 JK Annotated Reactive CC1=NC(C)=C(C(=O)OCC(C)C)[C@@H](c2cccc(-c3cccnc3)c2)[C@@H]1C(=O)OCC(C)C ZINC000169714479 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@H](c2cccc(-c3cccnc3)c2)[C@@H]1C(=O)OCC(C)C ZINC000169714480 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@@H](c2cccc(-c3cccnc3)c2)[C@H]1C(=O)OCC(C)C ZINC000169714481 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@H](c2cccc(-c3cccnc3)c2)[C@H]1C(=O)OCC(C)C ZINC000169714482 JK Annotated Anodyne O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccc(Cl)cc1)c1c(O)c(O)c2ccccc2c1O ZINC000169714732 JK Annotated Mild N=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000169714854 JK Annotated Anodyne N=c1ccn(Cc2ccc(Cc3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000169714855 JK Annotated Anodyne N=c1ccn(Cc2cccc(-c3cccc(Cn4ccc(=N)c5ccccc54)c3)c2)c2ccccc12 ZINC000169714856 JK Annotated Anodyne N=c1ccn(Cc2ccc(-c3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000169714857 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(/N=N/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)c1C ZINC000169715211 JK Annotated Clean N#C[C@@H](C(=N)Sc1ccc2ccccc2c1N)[C@@H](C#N)C(=N)Sc1ccc2ccccc2c1N ZINC000169715847 JK Annotated Mild N#C[C@@H](C(=N)Sc1c(Cl)cccc1Cl)[C@@H](C#N)C(=N)Sc1c(Cl)cccc1Cl ZINC000169715848 JK Annotated Mild CC(C)(C)n1c(S[C@@H]2C(=O)C[C@@](CCc3ccccc3)(c3ccccc3)OC2=O)nc2ccccc21 ZINC000169716082 JK Annotated Anodyne CC(C)(C)n1c(S[C@H]2C(=O)C[C@@](CCc3ccccc3)(c3ccccc3)OC2=O)nc2ccccc21 ZINC000169716083 JK Annotated Anodyne CC(C)(C)n1c(S[C@@H]2C(=O)C[C@](CCc3ccccc3)(c3ccccc3)OC2=O)nc2ccccc21 ZINC000169716084 JK Annotated Anodyne CC(C)(C)n1c(S[C@H]2C(=O)C[C@](CCc3ccccc3)(c3ccccc3)OC2=O)nc2ccccc21 ZINC000169716085 JK Annotated Anodyne O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1cc2ccccc2s1 ZINC000169716102 JK Annotated Anodyne O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1cc2ccccc2s1 ZINC000169716103 JK Annotated Anodyne N=c1ccn(Cc2ccc3c(c2)Cc2cc(Cn4ccc(=N)c5ccccc54)ccc2-3)c2ccccc12 ZINC000169716267 JK Annotated Anodyne C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cccc(-c2ccccc2)c1 ZINC000169716329 JK Annotated Mild CC/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000169716331 JK Annotated Mild CCC/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000169716332 JK Annotated Mild C/C(=N\OCCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000169716334 JK Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccc1-c1ccccc1 ZINC000169716336 JK Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000169716341 JK Annotated Mild CCCCN(CCCC)CCCNC(=O)CC/C=C/c1c(C)c(O)c2cccc(O)c2c1O ZINC000169716358 JK Annotated Anodyne Cc1c(/N=C/CCNCC/C=N/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716715 JK Annotated Mild Cc1cccc(C)c1SSCCNC(=O)[C@@H](Cc1cccc(Br)c1)N=O ZINC000169717440 JK Annotated Reactive Cc1cccc(C)c1SSCCNC(=O)[C@H](Cc1cccc(Br)c1)N=O ZINC000169717441 JK Annotated Reactive C[C@@H]1[C@@H]2C3=C/C(=N\Cc4ccccc4)CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc32)N1C ZINC000169717579 JK Annotated Mild C[C@@H]1[C@@H]2C3=C/C(=N\c4ccccc4)CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc32)N1CC1CC1 ZINC000169717586 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cccc2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12 ZINC000169717683 JK Annotated Clean O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)c1c2c(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169717939 JK Annotated Clean O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)c1c2c(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169717940 JK Annotated Clean Cc1ccc(-n2c(O)c3c(c2O)C2(O[C@@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000169717941 JK Annotated Clean Cc1ccc(-n2c(O)c3c(c2O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000169717942 JK Annotated Clean O=C1c2ccccc2C(=O)C12N[C@@H](c1ccccc1)c1c2c(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169717945 JK Annotated Clean O=C1c2ccccc2C(=O)C12N[C@H](c1ccccc1)c1c2c(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169717946 JK Annotated Clean Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)C1(Cc3ccccc3C1)N[C@@H]2c1ccccc1 ZINC000169717947 JK Annotated Anodyne Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)C1(Cc3ccccc3C1)N[C@H]2c1ccccc1 ZINC000169717948 JK Annotated Anodyne O=C(c1ccccc1)[C@@H]1N[C@@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O ZINC000169717949 JK Annotated Anodyne O=C(c1ccccc1)[C@H]1N[C@@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O ZINC000169717950 JK Annotated Anodyne O=C(c1ccccc1)[C@@H]1N[C@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O ZINC000169717951 JK Annotated Anodyne O=C(c1ccccc1)[C@H]1N[C@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O ZINC000169717952 JK Annotated Anodyne N#Cc1ccc(-c2cccc(CO[C@H]3Cc4c(O)n(-c5cc(Cl)cc(Cl)c5)c(=O)n4C3)c2)cc1 ZINC000169718704 JK Annotated Mild Cc1cn(Cc2cccc(-c3cccc(Cn4cc(C)c(=N)c5ccccc54)c3)c2)c2ccccc2c1=N ZINC000169718814 JK Annotated Anodyne CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1 ZINC000169718821 JK Annotated Anodyne O=c1c(CCOCc2ccccc2)c(O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000169718824 JK Annotated Anodyne O=c1c(CCSCc2ccccc2)c(O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000169718830 JK Annotated Anodyne O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc(C2CCCCC2)cc1 ZINC000169718849 JK Annotated Anodyne C=C(c1ccc(Cl)c(Cl)c1)c1sc(=S)n(NS(=O)(=O)c2ccccc2)c1O ZINC000169719335 JK Annotated Anodyne O=C(O)c1cccc(-c2ccc(C/N=N/c3nc4nonc4nc3Nc3ccc(F)cc3)o2)c1 ZINC000169719638 JK Annotated Clean Cc1c(N2C=C(O)NS2(=O)=O)csc1-c1cccc(NC2CC(C)(C)CC(C)(C)C2)c1 ZINC000169719921 JK Annotated Anodyne CCOC(=O)C1=C(c2ccc(Cl)cc2)c2ccc(OCCCc3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720121 JK Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2C1=[N+](C)[O-] ZINC000169720122 JK Annotated Mild CCOC(=O)C1=C(c2cccc(C)c2)c2ccc(OCCCc3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720126 JK Annotated Mild Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1ccccc1)[C@@H](c1ccccc1)S2 ZINC000169720171 JK Annotated Reactive Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1ccccc1)[C@H](c1ccccc1)S2 ZINC000169720172 JK Annotated Reactive O=C(O)CCCCCn1c(O)c([C@@H]2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)sc1=S ZINC000169720336 JK Annotated Anodyne O=C(O)CCCCCn1c(O)c([C@H]2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)sc1=S ZINC000169720337 JK Annotated Anodyne C=CCN1C(=O)[C@@H](c2sc(=S)n(CCCCCC(=O)O)c2O)c2cc(Br)ccc21 ZINC000169720344 JK Annotated Mild C=CCN1C(=O)[C@H](c2sc(=S)n(CCCCCC(=O)O)c2O)c2cc(Br)ccc21 ZINC000169720345 JK Annotated Mild Cn1c(/N=N/C(=C\Cc2ccc(Br)cc2)c2ccccc2)nc2ccccc2c1=O ZINC000169720513 JK Annotated Clean CCCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000169720561 JK Annotated Anodyne CCCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1C ZINC000169720562 JK Annotated Anodyne O=C(OCc1ccccc1)C(/C=C/c1cc(O)c2ccccc2c1O)C(=O)OCc1ccccc1 ZINC000169721005 JK Annotated Anodyne COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000169721141 JK Annotated Anodyne COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000169721142 JK Annotated Anodyne COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000169721143 JK Annotated Anodyne O=C1Nc2cc([N+](=O)[O-])ccc2[C@@H]1/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000169721288 JK Annotated Mild O=C1Nc2cc([N+](=O)[O-])ccc2[C@H]1/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000169721289 JK Annotated Mild CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000169721654 JK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000169721655 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCC[C@@H]1/C2=N\CCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169721861 JK Annotated Mild c1ccc2c(c1)N[C@H]1CCCC[C@@H]1/C2=N\CCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169721862 JK Annotated Mild c1ccc2c(c1)N[C@@H]1CCCC[C@H]1/C2=N\CCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169721863 JK Annotated Mild c1ccc2c(c1)N[C@H]1CCCC[C@H]1/C2=N\CCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@H]21 ZINC000169721864 JK Annotated Mild C[N+](C)(C)CCCCCCCCCCn1c(-c2ccccc2)cc(=N)c2ccc3ccc(N)cc3c21 ZINC000169721866 JK Annotated Bother COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(C)cc4N[C@@H]3c3c(F)cccc3Cl)C2)cc1 ZINC000169722029 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(C)cc4N[C@@H]3c3c(F)cccc3Cl)C2)cc1 ZINC000169722030 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(C)cc4N[C@@H]3c3c(F)cccc3Cl)C2)cc1 ZINC000169722031 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(C)cc4N[C@@H]3c3c(F)cccc3Cl)C2)cc1 ZINC000169722032 JK Annotated Anodyne Oc1c(Br)cc(Br)cc1C/N=N/c1nc(-c2ccc(Cl)cc2)cs1 ZINC000169722292 JK Annotated Clean COC(=O)c1ccc2c(c1)nc([C@@H]1C(C)=Nc3ccnn3[C@@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000169722392 JK Annotated Anodyne COC(=O)c1ccc2c(c1)nc([C@@H]1C(C)=Nc3ccnn3[C@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000169722393 JK Annotated Anodyne COC(=O)c1ccc2c(c1)nc([C@H]1C(C)=Nc3ccnn3[C@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000169722394 JK Annotated Anodyne CC(=O)Nc1ccc2c(c1)nc([C@H]1C(C)=Nc3ccnn3[C@@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000169722403 JK Annotated Anodyne CC(=O)Nc1ccc2c(c1)nc([C@@H]1C(C)=Nc3ccnn3[C@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000169722404 JK Annotated Anodyne CC(=O)Nc1ccc2c(c1)nc([C@H]1C(C)=Nc3ccnn3[C@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000169722405 JK Annotated Anodyne CCC(CC)/N=C1\C=C(c2cc(NC(CC)CC)c3ccccc3c2O)C(=O)c2ccccc21 ZINC000169722488 JK Annotated Mild O=Nc1c([C@@H]2C(=O)Nc3c(Br)cc([N+](=O)[O-])cc32)[nH]c2ccc(Br)cc12 ZINC000169722504 JK Annotated Bother O=Nc1c([C@H]2C(=O)Nc3c(Br)cc([N+](=O)[O-])cc32)[nH]c2ccc(Br)cc12 ZINC000169722505 JK Annotated Bother CC1=NC(SCc2ccccc2)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723167 JK Annotated Clean CC1=NC(SCc2ccccc2)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723168 JK Annotated Clean CC1=NC(SCc2ccccc2)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723169 JK Annotated Clean CC1=NC(SCc2ccccc2)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723170 JK Annotated Clean Oc1c(Cl)cc(Cl)cc1C/N=N\c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000169723725 JK Annotated Clean Clc1ccc(C/N=N\c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Cl ZINC000169723735 JK Annotated Clean Cc1ccc(Nc2nc(/N=N\Cc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000169723737 JK Annotated Clean Clc1ccc(C/N=N\c2nc(Nc3cccc(Br)c3)nc(N3CCOCC3)n2)cc1 ZINC000169723738 JK Annotated Clean O=C(O)c1cccc(-c2ccc(C/N=N/c3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)c1 ZINC000169723744 JK Annotated Clean CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@@H]21 ZINC000169723745 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@@H]21 ZINC000169723746 JK Annotated Anodyne CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@H]21 ZINC000169723747 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@H]21 ZINC000169723748 JK Annotated Anodyne C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000169724093 JK Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000169724094 JK Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)c2ccc(F)cc21 ZINC000169724099 JK Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)c2ccc(F)cc21 ZINC000169724100 JK Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@@H]1C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000169724101 JK Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@H]1C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000169724102 JK Annotated Mild O=c1cc(-c2cc(F)c(Cl)nc2Cl)nc2c(-c3cccc4ccccc34)c(C(F)(F)F)[nH]n12 ZINC000169724617 JK Annotated Anodyne FC(F)(F)c1cc(/N=N/c2c(-c3ccc(Cl)cc3)n[nH]c2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169724831 JK Annotated Mild O=C(Nc1ccccc1-c1ccccc1)N1CCn2c(c(O)n(-c3cccc4ccccc34)c2=O)C1 ZINC000169724975 JK Annotated Anodyne COc1ccc2[nH]cc(CC/N=c3\c(OC)ccc4cc5n(cc3-4)CCc3cc4c(cc3-5)OCO4)c2c1 ZINC000169725108 JK Annotated Anodyne COc1ccc2cc3n(cc-2/c1=N/CCc1ccc(Cl)cc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000169725118 JK Annotated Anodyne O=N[c-]1c2cc([N+](=O)[O-])ccc2c2c(C(=O)OCc3ccccc3Br)cc([N+](=O)[O-])cc21 ZINC000169727103 JK Annotated Bother COc1ccc(N(C)/C=C/c2c3[nH]c4ccccc4cc-3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000169727336 JK Annotated Anodyne C[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C(=O)O)noc1CCc1ccc2ccccc2c1 ZINC000169727566 JK Annotated Clean C[C@H](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C(=O)O)noc1CCc1ccc2ccccc2c1 ZINC000169727567 JK Annotated Clean Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@@H]2c3c(c(O)n(-c4ccccc4)c3O)[C@H]1S2=O ZINC000169727709 JK Annotated Anodyne COc1ccc(-n2c(O)c(CC(=O)Nc3ccccc3)n(CCc3cccs3)c2=S)cc1 ZINC000169727711 JK Annotated Anodyne Cc1ccsc1CCn1c(CC(=O)Nc2ccc(F)cc2)c(O)n(-c2ccc(F)cc2)c1=S ZINC000169727712 JK Annotated Anodyne COc1ccc(NC(=O)Cc2c(O)n(-c3ccccc3)c(=S)n2CCc2sccc2C)cc1 ZINC000169727713 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@H]1[C@H](O2)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000169727820 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]1[C@H](O2)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000169727821 JK Annotated Anodyne Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000169728036 JK Annotated Anodyne Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccccc2Cl)cc1 ZINC000169728037 JK Annotated Anodyne Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000169728052 JK Annotated Anodyne C/C(=N\Cc1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O ZINC000169728221 JK Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCCc1ccnc(CN=O)c1O)CC2 ZINC000169728427 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCCc1ccnc(CN=O)c1O)CC2 ZINC000169728428 JK Annotated Anodyne C[C@@H]1CCCN(c2c/c(=C\c3ccc(C(=O)O)cc3)c3c(O)c4ccccc4c4onc2c34)C1 ZINC000169728460 JK Annotated Bother C[C@H]1CCCN(c2c/c(=C\c3ccc(C(=O)O)cc3)c3c(O)c4ccccc4c4onc2c34)C1 ZINC000169728461 JK Annotated Bother O=C(O)CC(=O)C[P@@](=O)(O)/C=C\C1=C(c2ccc(F)cc2)c2ccccc2C12CCCCC2 ZINC000169728568 JK Annotated Anodyne O=C(O)CC(=O)C[P@@](=O)(O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2C12CCCCC2 ZINC000169728569 JK Annotated Anodyne O=C(O)CC(=O)C[P@@](=O)(O)/C=C\C1=C(c2ccc(F)cc2)c2ccccc2C12CCCC2 ZINC000169728576 JK Annotated Anodyne O=C(O)CC(=O)C[P@@](=O)(O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2C12CCCC2 ZINC000169728577 JK Annotated Anodyne CCOCCn1ccnc1[C@@H]1C(C)=Nc2cc(C(F)(F)F)nn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000169729610 JK Annotated Anodyne CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nccn1C(C)C ZINC000169729611 JK Annotated Anodyne CC1=Nc2cc(C)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncn(-c2ccccc2C)n1 ZINC000169729637 JK Annotated Anodyne COc1ccccc1-n1ncnc1[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000169729639 JK Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@@H]2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729939 JK Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729940 JK Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@@H]2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729941 JK Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@H]2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729942 JK Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@@H]2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729987 JK Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729988 JK Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@@H]2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729989 JK Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CNC[C@H]2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000169729990 JK Annotated Anodyne C[C@@H](/N=N/c1nc2ccc(C(F)(F)F)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730123 JK Annotated Clean C[C@H](/N=N/c1nc2ccc(C(F)(F)F)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730124 JK Annotated Clean CCN1C/C(=C\c2ccc(Cl)cc2Cl)C2=NC(=S)N[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000169730310 JK Annotated Anodyne CCN1C/C(=C\c2ccc(Cl)cc2Cl)C2=NC(=S)N[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000169730311 JK Annotated Anodyne N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 ZINC000169730377 JK Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 ZINC000169730378 JK Annotated Mild N#C[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000169730379 JK Annotated Mild N#C[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000169730380 JK Annotated Mild Oc1cc(/N=C/Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(O)c2ncccc12 ZINC000169730509 JK Annotated Mild Cc1c2c(c(C#N)c3c4cc(Cl)ccc4n(COCC[Si](C)(C)C)c13)C(=O)N(C)C2=O ZINC000169857904 JK Annotated Mild Cc1c2c(c(CN)c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(Cc1ccccc1)C2=O ZINC000169857912 JK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(Cl)cc2)c1 ZINC000169977574 JK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(Br)cc2)c1 ZINC000169977596 JK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(SC)cc2)c1 ZINC000169977617 JK Annotated Mild CC(C)=CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)C=C(O)[C@@]3(CC=C(C)C)CC=C(CO)CO ZINC000017142219 JK Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccc3ccccc23)[nH]n1 ZINC000017146977 JK Annotated Clean O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2ccc(O)cc2)cc1 ZINC000017155942 JK Annotated Bother O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2ccc(O)cc2)cc1 ZINC000017155945 JK Annotated Bother COc1ccc(/N=C/C2=C(Nc3ccc(OC)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1 ZINC000017173169 JK Annotated Mild OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2ccc(O)cc2)CCC1 ZINC000017177757 JK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2ccc(O)cc2)CCC1 ZINC000017177760 JK Annotated Anodyne Cc1ccc([S@@](=O)OCc2c(C)c(C)c(CO[S@@](=O)c3ccc(C)cc3)c(C)c2C)cc1 ZINC000017190079 JK Annotated Anodyne O=[S@](OC12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000017190086 JK Annotated Anodyne COc1ccc([C@@H](C2=C(C)C(=O)c3ccccc3C2=O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000017190647 JK Annotated Mild O=S1(=O)[C@@H](c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000017193148 JK Annotated Anodyne O=S1[C@@H](c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000017193151 JK Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1cc3ccccc3cc12 ZINC000017193153 JK Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1c3cccc4c(C(C)=O)ccc(c34)[C@H]12 ZINC000017193245 JK Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1c3cccc4c(C(C)=O)ccc(c34)[C@H]12 ZINC000017193248 JK Annotated Anodyne O=C(CC/C(CC(=O)c1ccc(Br)cc1)=N\O)Nc1ccc(Cl)c(Cl)c1 ZINC000017195640 JK Annotated Mild CC1=C2[C@H](c3ccccc3)[C@@H]3C=C[C@]2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000017195729 JK Annotated Anodyne O/N=C1C(=C/c2ccc(Cl)c(Cl)c2)/CCC[C@H]/1[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000017195910 JK Annotated Mild CC1=Nc2ccccc2[C@@]12[C@@H]1Cc3ccccc3N1C(=O)[C@@H](c1ccccc1)[C@@H]2c1ccccc1 ZINC000017196202 JK Annotated Anodyne CC1=Nc2ccccc2[C@]12[C@@H]1Cc3ccccc3N1C(=O)[C@@H](c1ccccc1)[C@@H]2c1ccccc1 ZINC000017196204 JK Annotated Anodyne CC1=Nc2ccccc2[C@]12[C@@H](c1ccccc1)[C@H](c1ccccc1)C(=O)N1c3ccccc3C[C@@H]12 ZINC000017196207 JK Annotated Anodyne CC1=Nc2ccccc2[C@@]12[C@@H](c1ccccc1)[C@H](c1ccccc1)C(=O)N1c3ccccc3C[C@@H]12 ZINC000017196209 JK Annotated Anodyne CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C(=O)[C@@H](C)CN12 ZINC000017198256 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@@H]3O[C@@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000017210258 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000017210261 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000017210264 JK Annotated Anodyne Clc1ccc(/N=N/c2nc3ccccc3nc2/N=N/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000017210303 JK Annotated Clean O=c1c2ccccc2c(-c2ccccc2)nn1-c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000017210384 JK Annotated Anodyne C(=C/[C@@H](Sc1ccccc1)c1ccccc1)\NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1 ZINC000017210690 JK Annotated Anodyne C(=C/[C@@H](Sc1ccccc1)c1ccccc1)\NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1 ZINC000017210699 JK Annotated Anodyne O=C1CCCCCCCCCCC(=O)[C@H]2CCOCCOCCOCC[C@@H]1Cc1cccc(n1)C2 ZINC000017212629 JK Annotated Anodyne COc1cc2cccc(/N=C/c3c(Br)ccc(OC)c3OC(C)C)c2cc1OC ZINC000017213471 JK Annotated Mild COc1ccc2c(c1)Oc1cc(O)ccc1[C@@H]2c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000017213847 JK Annotated Anodyne COc1ccc2c(c1)Oc1cc(O)ccc1[C@H]2c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000017213850 JK Annotated Anodyne Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1/C=C1\N=C(/C=C/c2ccccc2)OC1=O ZINC000017213857 JK Annotated Mild Cc1ccc(NC(=O)C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 ZINC000017214683 JK Annotated Mild O=C(c1ccncc1)n1nc(-c2ccccc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000017215692 JK Annotated Clean COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OC)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000017217123 JK Annotated Anodyne CSc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000017217157 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@@H]4CC(C)(C)CC(C)(C)[C@@H]4[C@H]3C2=O)cc1 ZINC000017218536 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@@H]4CC(C)(C)CC(C)(C)[C@H]4[C@H]3C2=O)cc1 ZINC000017218539 JK Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017218545 JK Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000017218548 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O ZINC000017218560 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1OC ZINC000017218571 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017218577 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000017218580 JK Annotated Anodyne CSc1ccc(NC(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C(=O)O)cc1 ZINC000017218583 JK Annotated Anodyne CSc1ccc(NC(=O)[C@@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C(=O)O)cc1 ZINC000017218586 JK Annotated Anodyne CSc1ccc(NC(=O)[C@@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C(=O)O)cc1 ZINC000017218589 JK Annotated Anodyne Nc1nc2c3nc(Nc4ccccc4)sc3nc(=S)n2c2sc(Nc3ccccc3)nc12 ZINC000017220638 JK Annotated Bother C[C@@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000017220906 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c(C)c1 ZINC000017221483 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)c(C)c1 ZINC000017221485 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017221491 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5cc(Cl)ccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000017221526 JK Annotated Anodyne COc1ccc(N2C(=O)c3c4c(c5c([nH]c6ncccc65)c3C2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000017221557 JK Annotated Anodyne Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccc(/C=C/c3ccccc3)cc1)SC(N)=N2 ZINC000017221749 JK Annotated Anodyne O=C(C/N=C(\CN(c1ccccc1)c1ccccc1)Oc1ccc(Cl)cc1Cl)n1ccnc1 ZINC000017222386 JK Annotated Mild Fc1nc(Sc2ncnc3nc[nH]c23)nc(-c2c3ccccc3c3sc4ccccc4n23)n1 ZINC000017222405 JK Annotated Bother Cc1ccc(CS(=O)(=O)C/N=C2\Sc3ccccc3N\C2=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000017224303 JK Annotated Mild CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000017242409 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000017242414 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000017242452 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000017242457 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000017248535 JK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1 ZINC000017248562 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5cccc(C)c5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017248571 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5cc(C)ccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017248583 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5c(C)cccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017248596 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(F)cc45)[C@@H]3C2=O)cc1 ZINC000017248613 JK Annotated Anodyne C[C@H]1[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 ZINC000017250840 JK Annotated Anodyne C/C(=N\NC(=S)Nc1ccc(C)cc1)c1cccc(/C(C)=N/NC(=S)Nc2ccc(C)cc2)n1 ZINC000017253282 JK Annotated Mild C/C(=N\NC(=S)Nc1ccccc1C)c1cccc(/C(C)=N/NC(=S)Nc2ccccc2C)n1 ZINC000017253306 JK Annotated Mild C=CCc1cc([C@@H](Cc2ccccc2)NC(C)C)cc(OCc2ccccc2)c1OCc1ccccc1 ZINC000017253423 JK Annotated Mild Cc1cccc(C)c1N1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O ZINC000017253553 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@H]2[C@H]3C[C@@H](C(C)(C)C)CC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C1=O ZINC000017253556 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1C ZINC000017253587 JK Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017253614 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253621 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253625 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253629 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253633 JK Annotated Anodyne O=C1CSC2=NC3=C(CSC/C3=C\c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000017254586 JK Annotated Anodyne O=C1CSC2=NC3=C(CSC/C3=C\c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000017254589 JK Annotated Anodyne COc1ccc(/C(=N/O)c2ccccc2C2=Nc3ccccc3[C@@H](NCc3ccccc3)O2)cc1C ZINC000017257013 JK Annotated Mild COc1ccc(/C(=N/O)c2ccccc2C2=Nc3ccccc3[C@H](NCc3ccccc3)O2)cc1C ZINC000017257017 JK Annotated Mild C(=C(c1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000017257971 JK Annotated Anodyne Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(NCC2(CO)CC(OCc3ccccc3)C2)n1 ZINC000017258638 JK Annotated Clean CCOP(=O)(CC[C@@H](O)CNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1)OCC ZINC000017258657 JK Annotated Clean CCOP(=O)(CC[C@H](O)CNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1)OCC ZINC000017258661 JK Annotated Clean CCOP(=O)(OCC)[C@@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(F)cc1 ZINC000017259226 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(OC)cc1 ZINC000017259232 JK Annotated Anodyne c1ccc(COC[C@@]23CCN(Cc4ccccc4)[C@@H](C[C@H](OCc4ccccc4)C2)S3)cc1 ZINC000017261149 JK Annotated Anodyne c1ccc(COC[C@@]23CCN(Cc4ccccc4)[C@@H](C[C@@H](OCc4ccccc4)C2)S3)cc1 ZINC000017261152 JK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000017307128 JK Annotated Mild O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000017307132 JK Annotated Mild C=CCSC1=N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000017364079 JK Annotated Mild CC1=CC[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 ZINC000170113627 JK Annotated Reactive CC1=CC[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 ZINC000170113630 JK Annotated Reactive CC1=CC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 ZINC000170113631 JK Annotated Reactive CC1=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2I)C(=O)CC1 ZINC000170113634 JK Annotated Reactive COc1ccc2cc([C@H](C)C(=O)OCc3ccc(OC(=O)OCC[Si](C)(C)C)cc3)ccc2c1 ZINC000170130229 JK Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000017526776 JK Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(Cl)cc1 ZINC000017526778 JK Annotated Reactive C=CCSC1=N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000017528390 JK Annotated Mild CCSC1=N[C@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000017531822 JK Annotated Mild CCSC1=N[C@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000017531833 JK Annotated Mild CCCCCC/C=C/c1ccc(OC)c([C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000017545962 JK Annotated Mild O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccccc1 ZINC000017576962 JK Annotated Reactive CCCCCC/C=C/c1ccc(OC)c([C@@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000017655037 JK Annotated Mild CCCCCC/C=C/c1ccc(OC)c([C@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000017655039 JK Annotated Mild CCCCCC/C=C/c1ccc(OC)c([C@@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000017655041 JK Annotated Mild CCCC/C(=N\CCc1c(C)[nH]c2ccc(OC)cc12)C1=C(O)C[C@@H](c2ccccc2)CC1=O ZINC000017721790 JK Annotated Mild COc1ccccc1-c1nnc(SCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1 ZINC000017731280 JK Annotated Mild COc1ccccc1-c1nnc(SCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1 ZINC000017731283 JK Annotated Mild COc1ccc([C@@H]2C=CCN(Cc3ccc(N(C)C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017780480 JK Annotated Clean COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000017783816 JK Annotated Anodyne CCOC(=O)/C(=C\Nc1ccccc1C(F)(F)F)Sc1ncc(C(F)(F)F)cc1Cl ZINC000017836721 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017837612 JK Annotated Anodyne O/N=C1C(=C/c2ccc(Br)cc2)/CCC[C@H]/1[C@H](NO)c1ccc(Br)cc1 ZINC000017886984 JK Annotated Mild CC(C)c1ccc2[nH]c(O)c(/N=N\C(=O)c3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)c2c1 ZINC000017887172 JK Annotated Clean CCc1nc2ccccc2c(=O)n1/N=C(\N=N\c1ccc(Cl)cc1)c1ccccc1Cl ZINC000017919058 JK Annotated Mild CSc1nnc(-c2ccccc2/N=C/c2c(C)nn(-c3ccc4ccccc4c3)c2O)c(O)n1 ZINC000017968679 JK Annotated Mild O=C(/N=N\c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccs2)nc2ccccc12 ZINC000017970644 JK Annotated Clean COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)ccc1O ZINC000017994471 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018023355 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2SC(Nc3ccccc3)=C(C(=O)Nc3ccc(Cl)cc3)C2=N)cc1 ZINC000018023396 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2SC(Nc3ccccc3)=C(C(=O)Nc3ccc(Cl)cc3)C2=N)cc1 ZINC000018023401 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018023729 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)CC(C)(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018037565 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)CC(C)(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018043709 JK Annotated Anodyne O=C(c1ccncc1)n1nc(-c2ccccc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000018056267 JK Annotated Clean COc1ccc([C@H]2C=CCN(C(=O)OCc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018056270 JK Annotated Anodyne Cc1ccc(C(=O)/C=C2\Nc3ccccc3S\C2=N\CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000018058619 JK Annotated Mild Cc1cc2c(cc1C)N[C@@H](c1c(C)n(C)n(-c3ccccc3)c1=O)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018081217 JK Annotated Anodyne Cc1cc2c(cc1C)N[C@@H](c1c(C)n(C)n(-c3ccccc3)c1=O)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018081220 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018099327 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(Cc3ccc(N(C)C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018099408 JK Annotated Clean COc1ccc([C@@H]2C=CCN(CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018100541 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018113267 JK Annotated Anodyne O=C(/C=C1\Nc2ccccc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 ZINC000018114199 JK Annotated Mild COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1 ZINC000018118166 JK Annotated Mild Cc1cc2c(cc1C)N[C@H](c1c(C)n(C)n(-c3ccccc3)c1=O)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018118495 JK Annotated Anodyne Cc1cc2c(cc1C)N[C@H](c1c(C)n(C)n(-c3ccccc3)c1=O)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018118497 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018119351 JK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000018125808 JK Annotated Anodyne CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000018125837 JK Annotated Clean CCCCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000018130137 JK Annotated Anodyne Cc1cccc2c(/N=N\c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c(O)[nH]c12 ZINC000018130361 JK Annotated Clean COc1ccc(N2C(=O)[C@H]3c4[nH]c5c(C)cccc5c4[C@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000018142111 JK Annotated Anodyne CCc1nc2ccccc2c(=O)n1/N=C(\N=N\c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000018153012 JK Annotated Mild CCCCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000018153600 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)C3CCCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018156531 JK Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C(\N=N\c1ccc(Cl)cc1)c1cccc(-c2ccco2)c1 ZINC000018164241 JK Annotated Mild Clc1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000018169531 JK Annotated Reactive COc1ccc([C@@H]2C=CCN(C(=O)C3CCCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018180386 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(Cc3ccc(N(C)C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018188941 JK Annotated Clean Cc1cccc2c(/N=N\c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c(O)[nH]c12 ZINC000018202347 JK Annotated Clean COc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1 ZINC000018207981 JK Annotated Mild Oc1ccccc1/C=N\c1ccccc1SSc1ccccc1/N=C\c1ccccc1O ZINC000018208201 JK Annotated Reactive COc1ccc([C@@H]2C=CCN(C(=O)OCc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018210749 JK Annotated Anodyne Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 ZINC000018246115 JK Annotated Mild Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 ZINC000018246118 JK Annotated Mild CC1(C)CC(=O)C(/C=N/CC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)=C(O)C1 ZINC000018246650 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cc(Br)c1O ZINC000019314500 JK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)cc(Br)c1O ZINC000019314503 JK Annotated Mild N[C@H](NC1CCCCC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CCCCC4)cc3)o2)cc1 ZINC000019321208 JK Annotated Anodyne N[C@@H](NC1CCCCC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CCCCC4)cc3)o2)cc1 ZINC000019321356 JK Annotated Anodyne N[C@@H](NC1CCCCC1)c1ccc(-c2ccc(-c3ccc([C@@H](N)NC4CCCCC4)cc3)o2)cc1 ZINC000019321359 JK Annotated Anodyne CC(=O)OC1=CC[C@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 ZINC000194953822 JK Annotated Reactive CC(=O)OC1=CC[C@H]2C[C@@H]3C(=C(O)c4c(O)cccc4[C@@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 ZINC000194953835 JK Annotated Reactive CC(=O)OC1=CC[C@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 ZINC000194953848 JK Annotated Reactive CC(=O)OC1=CC[C@H]2C[C@@H]3C(=C(O)c4c(O)cccc4[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2C1 ZINC000194953863 JK Annotated Reactive CSc1ccc(C(=O)OCC[C@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000194964330 JK Annotated Mild CSc1ccc(C(=O)OCC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000194964352 JK Annotated Mild O=S1(=O)c2cccc3cccc(c23)N1CCCCN1[C@H]2CC[C@H]1c1c([nH]c3ccc(F)cc13)C2 ZINC000194979491 JK Annotated Anodyne CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1Br ZINC000019723335 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1Br ZINC000019723337 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1Br ZINC000019723338 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1Br ZINC000019723340 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000019727471 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000019727473 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019727475 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019727477 JK Annotated Mild COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c(OC)c1OC ZINC000019743571 JK Annotated Anodyne COc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c(OC)c1OC ZINC000019743573 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000019761774 JK Annotated Mild CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000019761780 JK Annotated Mild COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC(C)C)cc1OC ZINC000019770246 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC(C)C)cc1OC ZINC000019770247 JK Annotated Anodyne COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC(C)C)cc1OC ZINC000019770248 JK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OCC(C)C)cc1OC ZINC000019770249 JK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C#N)[C@H]1c1ccco1 ZINC000019825332 JK Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C#N)[C@H]1c1ccco1 ZINC000019825338 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000019830781 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000019830783 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000019830785 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H](c2ccc(F)cc2)/C1=C(\O)OC(C)C ZINC000019830820 JK Annotated Mild CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000019866739 JK Annotated Reactive C/C(=C\C[C@@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000195043397 JK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000195050528 JK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000195050543 JK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000195050559 JK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000195051117 JK Annotated Mild C/C(=C\C[C@@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000195051128 JK Annotated Mild C/C(=C\C[C@@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000195051146 JK Annotated Mild COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000195089977 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000195089989 JK Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000195090003 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000195090013 JK Annotated Anodyne CCO/C(O)=C/C1=N[C@]2(CCC1)CCC[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195093850 JK Annotated Reactive CCOC(=O)C[C@H]1CCC[C@]2(CCC[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1 ZINC000195102765 JK Annotated Reactive CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000195102786 JK Annotated Mild c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000195108683 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@@H]2CCCC[C@@H]21 ZINC000195108695 JK Annotated Anodyne c1ccc2c(c1)N[C@H]1CCCCC1=C2NCCCCCCCCN[C@H]1CCN[C@@H]2CCCC[C@H]12 ZINC000195108708 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@H]1CCN[C@@H]2CCCC[C@H]12 ZINC000195108718 JK Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)CC(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000195117689 JK Annotated Mild CN1C(=O)c2c(c3c4ccc(O[Si](C)(C)C(C)(C)C)cc4[nH]c3c3cc4ccccc4cc23)C1=O ZINC000195125872 JK Annotated Reactive CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@H]21 ZINC000195166552 JK Annotated Mild CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@H]21 ZINC000195166568 JK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@H]21 ZINC000195166579 JK Annotated Mild C/C1=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(\C)CC/C=C(/C)CC2)CC/C(C)=C\CC1 ZINC000195184828 JK Annotated Anodyne C/C1=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(\C)CC/C=C(/C)CC2)CC/C(C)=C/CC1 ZINC000195184840 JK Annotated Anodyne C/C1=C/C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(/C)CC/C=C(\C)CC2)CC/C(C)=C\CC1 ZINC000195184853 JK Annotated Anodyne CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CCCC(=O)N12)(c1ccccc1)c1ccccc1 ZINC000195203553 JK Annotated Reactive CCN(CC)CCn1[nH]c2c3cc(O[Si](C)(C)C(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000195207410 JK Annotated Reactive O[C@H]1/C=C\C=C/CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@](C1)(C5)[C@H]42 ZINC000195207530 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C/CCN5CC[C@@H]3[C@](C1)(C5)[C@H]42 ZINC000195207541 JK Annotated Anodyne O[C@H]1/C=C\C=C\CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@](C1)(C5)[C@H]42 ZINC000195207555 JK Annotated Anodyne O[C@H]1/C=C\C=C\CCN2C[C@@H]3C=C4CCCCCCCCCC/C=C/CCN5CC[C@@H]3[C@](C1)(C5)[C@H]42 ZINC000195207563 JK Annotated Anodyne CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CCOC(=O)N12)(c1ccccc1)c1ccccc1 ZINC000195210709 JK Annotated Reactive COc1cc(-c2cc(=O)c3ccc(OC(C)=O)cc3o2)cc(OC)c1O[Si](C)(C)C(C)(C)C ZINC000195212434 JK Annotated Reactive COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000195212728 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000195212737 JK Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000195212745 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000195212756 JK Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]21 ZINC000195213570 JK Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)C/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000195215217 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)[C@@H](O)C/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000195215231 JK Annotated Mild Cc1ccc(B(OC(=O)c2ncccc2C(=O)c2ccccc2)c2ccc(C)c(Cl)c2)cc1Cl ZINC000195218120 JK Annotated Anodyne C/C(=C\[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000195221040 JK Annotated Clean C/C(=C\[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000195221055 JK Annotated Clean C/C(=C\[C@@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000195221065 JK Annotated Clean C1=C[N+]2=C([C@@H]1c1cccc3ccccc13)[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000195227298 JK Annotated Anodyne C1=C\CCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(CC/C=C/C/1)C4)[C@H]2CC3 ZINC000195228164 JK Annotated Anodyne C1=C\CCN2CC[C@H]3[C@@H](CCCCC/C=C/C/C=C/CCN4C[C@H](CCCCCC/1)C[C@H]3C4)C2 ZINC000195228172 JK Annotated Anodyne CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 ZINC000195233902 JK Annotated Reactive O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccccc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000195235134 JK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccccc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000195235146 JK Annotated Anodyne C=C1CCC(C)=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I ZINC000195236081 JK Annotated Reactive C=C1CCC(C)=CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I ZINC000195236094 JK Annotated Reactive C=C1CCC(C)=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I ZINC000195236104 JK Annotated Reactive C=C1CCC(C)=CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I ZINC000195236118 JK Annotated Reactive Cc1cc(C)cc(C(=O)N2[C@@H]3C[C@@H](NCc4ccnc5ccccc45)C[C@@H]2[C@@H](c2ccccc2)C3)c1 ZINC000195239668 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@@H]3C[C@H](NCc4ccnc5ccccc45)C[C@@H]2[C@@H](c2ccccc2)C3)c1 ZINC000195239682 JK Annotated Anodyne CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC[C@@H](CO)CN12)(c1ccccc1)c1ccccc1 ZINC000195242188 JK Annotated Reactive CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC[C@H](CO)CN12)(c1ccccc1)c1ccccc1 ZINC000195242205 JK Annotated Reactive C[C@H]1CC[C@@]2(OCCC[C@H]2C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195247724 JK Annotated Reactive COc1cc(C2=C(c3ccc(SC)cc3)C[C@@H](O[SiH2]C(C)(C)C)C2=O)cc(OC)c1OC ZINC000195279330 JK Annotated Reactive COc1cc(C2=C(c3ccc(SC)cc3)C[C@H](O[SiH2]C(C)(C)C)C2=O)cc(OC)c1OC ZINC000195279339 JK Annotated Reactive CCCCCCOC[C@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195281564 JK Annotated Mild C=C[C@@]1(C)C[C@@H]1C(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I ZINC000195285999 JK Annotated Reactive C=C[C@@]1(C)C[C@@H]1C(=O)CC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1I ZINC000195286009 JK Annotated Reactive CCC(C)(C)C[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195294910 JK Annotated Mild CCC(C)(C)C[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195294919 JK Annotated Mild O[C@H]1/C=C\C=C/CCCCCC[C@H]2CN3CC/C=C/CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000195297618 JK Annotated Anodyne O[C@H]1/C=C\C=C\CCCCCC[C@H]2CN3CC/C=C\CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000195297629 JK Annotated Anodyne O[C@H]1/C=C\C=C\CCCCCC[C@H]2CN3CC/C=C/CCCCCC[C@@H]4C[C@@H](CN(C1)C4)[C@H]2CC3 ZINC000195297638 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000195316920 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000195316928 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000195316938 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000195316947 JK Annotated Anodyne O[C@H]1/C=C\C=C/C=C/CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C1)C4)[C@@H]2CC3 ZINC000195317817 JK Annotated Anodyne O[C@H]1/C=C\C=C\C=C\CC[C@H]2CN3CCCCCCCCCCCC[C@H]4C[C@H](CN(C1)C4)[C@@H]2CC3 ZINC000195317827 JK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC[C@@H](O)c1cc(C(F)(F)F)nc3c(C(F)(F)F)cccc13)C2(C)C ZINC000195320177 JK Annotated Anodyne C[C@@H]1[C@@H]2C[C@@H](C[C@H]1NC[C@@H](O)c1cc(C(F)(F)F)nc3c(C(F)(F)F)cccc13)C2(C)C ZINC000195320188 JK Annotated Anodyne C[C@H]1C(=NOCc2ccccc2)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000195321063 JK Annotated Mild C[C@@H]1C(=NOCc2ccccc2)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000195321073 JK Annotated Mild C=CCOC(=O)C1=C(CCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C)NC2=[N+]3[C@H]1CC[C@@H]3C[C@H](C)N2 ZINC000195336655 JK Annotated Reactive C[C@H]1C(=NOCc2ccccc2)[C@H](C)[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000195345649 JK Annotated Mild C[C@H]1C(=NOCc2ccccc2)[C@H](C)[C@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 ZINC000195345658 JK Annotated Mild C[C@H]1C(=NOCc2ccccc2)[C@@H](C)[C@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 ZINC000195345665 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@H]2[C@H]3[C@H](C)C[C@@H]4[C@@H]([C@@H]3C=C(CO)C[C@H]2C1=O)C4(C(C)=O)C(C)=O ZINC000195346573 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@H]2[C@H]3[C@@H](C)C[C@@H]4[C@@H]([C@@H]3C=C(CO)C[C@H]2C1=O)C4(C(C)=O)C(C)=O ZINC000195346580 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000195353343 JK Annotated Mild CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000195353652 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000195353657 JK Annotated Anodyne COc1c(C)c(C/C=C(\C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c(OC)c2ccccc12 ZINC000195353739 JK Annotated Reactive COc1cc(C(=O)[C@@H]2CSC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)=N2)cc(OC)c1OC ZINC000195353767 JK Annotated Reactive CC(C)(C)[Si](C)(C)c1c2c(nc3ccc(OCc4ccccc4)cc13)-c1cccc(=O)n1C2 ZINC000195357930 JK Annotated Anodyne CC(C)[Si](CC1=CCCC[C@@]12C(=O)N(COCC[Si](C)(C)C)c1ccccc12)(C(C)C)C(C)C ZINC000195358797 JK Annotated Anodyne CC(C)[Si](CC1=CCCC[C@]12C(=O)N(COCC[Si](C)(C)C)c1ccccc12)(C(C)C)C(C)C ZINC000195358803 JK Annotated Anodyne C=CCCCCC(=O)OCC[C@@]12C[C@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@]23C(=O)O ZINC000195360753 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]23C(=O)O ZINC000195360762 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@]34C(=O)O)cc1 ZINC000195362933 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]34C(=O)O)cc1 ZINC000195362949 JK Annotated Mild CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000195366827 JK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000195367695 JK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000195367703 JK Annotated Mild O=C(C1CCCCC1)N1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000195368397 JK Annotated Anodyne C=C(C)[C@@H]1C[C@]2(CC=C(C)C)CC(=O)[C@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000195369127 JK Annotated Mild C=C(C)[C@H]1C[C@]2(CC=C(C)C)CC(=O)[C@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000195369139 JK Annotated Mild Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(C)C)C=C[C@]3(C)CC2)cc1 ZINC000195375984 JK Annotated Mild Cc1ccc(/N=C2\SCCCCN2N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C(C)C)C=C[C@@]3(C)CC2)cc1 ZINC000195375994 JK Annotated Mild CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(CC(C)=CC[C@H](C)O2)c2c(Br)cccc21 ZINC000195378097 JK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195378369 JK Annotated Anodyne COc1ccc([C@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195378376 JK Annotated Anodyne O=C1CS/C(=N/N=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]3c2ccccc2Cl)N1 ZINC000195378888 JK Annotated Mild O=C1CS/C(=N/N=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)N1 ZINC000195378894 JK Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]3c2ccc(Cl)cc2)N1 ZINC000195380459 JK Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)N1 ZINC000195380466 JK Annotated Mild Cc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195380568 JK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195380575 JK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000195380735 JK Annotated Mild C=CC[C@H]1C(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@@H]2[C@@H](CC=C)C(=O)N2[C@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000195382057 JK Annotated Mild C=CC[C@H]1C(=O)N2[C@H](c3ccccc3)[C@@H](C)C[C@@H]2[C@@H](CC=C)C(=O)N2[C@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000195382063 JK Annotated Mild C=CC[C@H]1C(=O)N2[C@@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@@H](CC=C)C(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@@H]12 ZINC000195382070 JK Annotated Mild C=CC[C@H]1C(=O)N2[C@@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@@H](CC=C)C(=O)N2[C@H](c3ccccc3)[C@@H](C)C[C@@H]12 ZINC000195382076 JK Annotated Mild COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCCC[C@H]1[C@H]2NC(=O)C(F)(F)F ZINC000195383061 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCCC[C@@H]1[C@H]2NC(=O)C(F)(F)F ZINC000195383070 JK Annotated Anodyne COc1ccc([C@@H]2C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 ZINC000195386463 JK Annotated Reactive COc1ccc([C@@H]2/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 ZINC000195386469 JK Annotated Reactive COc1ccc([C@H]2C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 ZINC000195386474 JK Annotated Reactive COc1ccc([C@H]2/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC(=O)N2Cc2ccccc2)cc1 ZINC000195386483 JK Annotated Reactive COc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195391199 JK Annotated Anodyne COc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195391207 JK Annotated Anodyne Clc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195391222 JK Annotated Anodyne Clc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195391228 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)/C=C/O[C@@H](C#CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)C ZINC000195391746 JK Annotated Mild CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)/C=C/O[C@@H](C#CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(C)C ZINC000195391752 JK Annotated Mild CC(C)[C@H](C#CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000195391760 JK Annotated Mild CC(C)[C@H](C#CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000195391766 JK Annotated Mild C[C@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccc(F)c1 ZINC000195399317 JK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1cccc(F)c1 ZINC000195399325 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1cccc(F)c1 ZINC000195399330 JK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000195399337 JK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000195399348 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000195399355 JK Annotated Anodyne CCCCCCN1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000195400545 JK Annotated Anodyne O=C(O)c1ccc(CN2C[C@@H]3CCC[C@@H]2[C@@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1 ZINC000195404646 JK Annotated Anodyne O=C(O)c1ccc(CN2C[C@H]3CCC[C@@H]2[C@@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1 ZINC000195404652 JK Annotated Anodyne CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(F)F ZINC000195406140 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000195407071 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000195407078 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@H]21 ZINC000195411078 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@@H]12 ZINC000195411086 JK Annotated Mild Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1C ZINC000195412521 JK Annotated Anodyne CC1=CC[C@H](C(C)C)[C@@H]([C@@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O ZINC000195413458 JK Annotated Reactive CC1=CC[C@H](C(C)C)[C@H]([C@@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O ZINC000195413466 JK Annotated Reactive CC1=CC[C@H](C(C)C)[C@@H]([C@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O ZINC000195413474 JK Annotated Reactive CC1=CC[C@H](C(C)C)[C@H]([C@H](O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O ZINC000195413481 JK Annotated Reactive C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000195414938 JK Annotated Mild Cc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195414968 JK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195414978 JK Annotated Anodyne CC1=CC[C@H](C[C@H](C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC1 ZINC000195415429 JK Annotated Reactive CC(=O)Oc1cc(Cl)c(OC(C)=O)c2c(OC(C)=O)c(C)c(O[Si](C)(C)C(C)(C)C)cc12 ZINC000195417218 JK Annotated Reactive CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000195417433 JK Annotated Anodyne CCN1C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000195419898 JK Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000195420657 JK Annotated Anodyne Cc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000195420693 JK Annotated Anodyne Cc1ccc([C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000195420702 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195422994 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C\C=C/CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000195423519 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C\C=C\CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000195423525 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C/C=C\CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000195423532 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCCCCC[C@@H]2CN3CC/C=C/C=C/CCCCC4=C[C@@H](CN(C4)C1)[C@@H]2CC3 ZINC000195423537 JK Annotated Anodyne CCN(CCCC(=O)OC)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1 ZINC000195432663 JK Annotated Clean CC[C@H]1[C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000195435681 JK Annotated Mild COc1ccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1OC ZINC000195437999 JK Annotated Anodyne COc1ccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1OC ZINC000195438005 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1OC ZINC000195438013 JK Annotated Anodyne COc1ccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1OC ZINC000195438019 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195438023 JK Annotated Bother O=[N+]([O-])c1ccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195438031 JK Annotated Bother O=[N+]([O-])c1ccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195438040 JK Annotated Bother Clc1ccccc1[C@@H]1ONC2=C1[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]21 ZINC000195440117 JK Annotated Anodyne Clc1ccccc1[C@H]1ONC2=C1[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]21 ZINC000195440124 JK Annotated Anodyne Clc1ccccc1[C@H]1ONC2=C1[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]21 ZINC000195440132 JK Annotated Anodyne O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 ZINC000195440139 JK Annotated Bother O=[N+]([O-])c1cccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 ZINC000195440149 JK Annotated Bother O=[N+]([O-])c1cccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 ZINC000195440156 JK Annotated Bother COc1ccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195440162 JK Annotated Anodyne COc1ccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195440167 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195440175 JK Annotated Anodyne COc1ccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195440180 JK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/OC[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000195442597 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000195442602 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N/OC[C@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000195442608 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(=C(\O)OCC)/C(=N/c2ccccc2)C[C@]1(C)O ZINC000195445575 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(=C(/O)OCC)/C(=N/c2ccccc2)C[C@]1(C)O ZINC000195445582 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(=C(\O)OCC)/C(=N\c2ccccc2)C[C@]1(C)O ZINC000195445590 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C(=C(/O)OCC)/C(=N\c2ccccc2)C[C@]1(C)O ZINC000195445596 JK Annotated Mild CCCc1cc2c(n1Cc1ccc(C)cc1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195452662 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000195453703 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)O/N=C/[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000195456124 JK Annotated Mild CSc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195456322 JK Annotated Anodyne CSc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195456328 JK Annotated Anodyne CSc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000195456336 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5cccc(Cl)c5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195456375 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4cccc(Cl)c4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195456382 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5cccc(Cl)c5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195456389 JK Annotated Anodyne C[Si](C)(C)C(CCCCSc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000195456703 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195458361 JK Annotated Mild CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195458367 JK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195458372 JK Annotated Mild CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195458378 JK Annotated Mild O=C(OCc1ccccc1)N1N=N[C@@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000195461155 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H](O3)[C@@H]21 ZINC000195461159 JK Annotated Anodyne C[C@@H](CO)[C@H](/C=C/c1ccccc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195462495 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1nnc3ccccc31)C2 ZINC000195462826 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1nnc3ccccc31)C2 ZINC000195462830 JK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@H](N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1nnc3ccccc31)C2 ZINC000195462836 JK Annotated Anodyne CC[C@@H](/C=C\CCC1(C[C@@H](N)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C ZINC000195466226 JK Annotated Reactive CCCCCCCCCCCCO[C@@H]1[C@@H](COCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000195468169 JK Annotated Mild CCCCCCCCCCCCO[C@H]1[C@@H](COCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000195468171 JK Annotated Mild CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000195468176 JK Annotated Mild CCCCCCCCCCCCO[C@H]1[C@H](COCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000195468180 JK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195468870 JK Annotated Anodyne CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)c2c3c(ccc4c3c1OC4(C)C)[C@H](C)CC2 ZINC000195469200 JK Annotated Reactive CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)c2c3c(ccc4c3c1OC4(C)C)[C@@H](C)CC2 ZINC000195469205 JK Annotated Reactive CC1=C[C@H]2c3ccccc3C[C@@H]2CO[C@@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000195470150 JK Annotated Anodyne CC1=C[C@@H]2c3ccccc3C[C@@H]2CO[C@@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000195470156 JK Annotated Anodyne CC1=C[C@H]2c3ccccc3C[C@H]2CO[C@@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000195470160 JK Annotated Anodyne CC1=C[C@@H]2c3ccccc3C[C@H]2CO[C@@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000195470166 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4cccc(C)c4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195471677 JK Annotated Anodyne CCCCC[C@@H](O)[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CCOCc1ccccc1 ZINC000195472255 JK Annotated Reactive CCCCC[C@H](O)[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/CCOCc1ccccc1 ZINC000195472260 JK Annotated Reactive COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(F)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000195473694 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(F)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195473701 JK Annotated Anodyne O=C1[C@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCCCCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000195474141 JK Annotated Anodyne O=C1[C@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCCCCCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000195474147 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000195476295 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195476301 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000195476819 JK Annotated Mild CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2O[C@H]([C@@H](O)C#C[Si](C)(C)C)C[C@H]2O1 ZINC000195477259 JK Annotated Reactive CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000195479849 JK Annotated Anodyne CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000195479853 JK Annotated Anodyne CCCCCCCCCCCOCC[C@@H]1[C@@H]([C@@H](C)OCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000195480982 JK Annotated Mild CCCCCCCCCCCOCC[C@H]1[C@@H]([C@@H](C)OCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@@H]12 ZINC000195480986 JK Annotated Mild CCCCCCCCCCCOCC[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H](C)OCCN1CCCC1 ZINC000195480989 JK Annotated Mild CCCCCCCCCCCOCC[C@@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H](C)OCCN1CCCC1 ZINC000195480992 JK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5c(C)cccc5c4[C@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195481136 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5c(C)cccc5c4[C@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195481142 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)C)CC[C@@H]4c4c([nH]c5c(C)cccc45)[C@@H]3C2=O)cc1 ZINC000195481146 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=N1 ZINC000195481462 JK Annotated Anodyne CC(C)(Cl)[C@H](Br)CC[C@@](C)(Br)[C@@H](Br)CBr ZINC000195482960 JK Annotated Reactive CC(C)(Cl)[C@@H](Br)CC[C@](C)(Br)[C@@H](Br)CBr ZINC000195482963 JK Annotated Reactive CC(C)(Cl)[C@H](Br)CC[C@](C)(Br)[C@@H](Br)CBr ZINC000195482966 JK Annotated Reactive COC(C[C@@]1(CCNc2ccccc2)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC ZINC000195483720 JK Annotated Anodyne COC(C[C@]1(CCNc2ccccc2)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC ZINC000195483724 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4cc(C)ccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195485231 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5cc(C)ccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195485235 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5cc(C)ccc45)[C@@H]3C2=O)cc1 ZINC000195485239 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195485848 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195485853 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195485856 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195485860 JK Annotated Anodyne C[Si](C)(C)CCCCCCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1 ZINC000195487212 JK Annotated Anodyne C=C(C)[C@@]1(O[Si](C)(C)C)CCCC[C@@H]1CC(Sc1ccccc1)Sc1ccccc1 ZINC000195487824 JK Annotated Reactive Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1 ZINC000195489206 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1 ZINC000195489212 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195489597 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195489600 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195489604 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195489608 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195490787 JK Annotated Bother CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195490795 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195490799 JK Annotated Bother CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195490804 JK Annotated Bother CC[C@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000195492372 JK Annotated Anodyne CC[C@@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000195492376 JK Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1c3cccc4c(C(C)=O)ccc(c34)[C@H]12 ZINC000195492833 JK Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1c3ccc(C(C)=O)c4cccc(c34)[C@H]12 ZINC000195492839 JK Annotated Anodyne c1ccc(COC[C@]23CCN(Cc4ccccc4)[C@@H](C[C@H](OCc4ccccc4)C2)S3)cc1 ZINC000195493171 JK Annotated Anodyne c1ccc(COC[C@]23CCN(Cc4ccccc4)[C@@H](C[C@@H](OCc4ccccc4)C2)S3)cc1 ZINC000195493178 JK Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195494584 JK Annotated Anodyne Clc1ccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195494949 JK Annotated Anodyne Clc1ccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195494951 JK Annotated Anodyne Clc1ccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000195494957 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccc4c(c3)OCO4)[C@@H]3CCCC[C@H]32)cc1 ZINC000195495967 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccc4c(c3)OCO4)[C@@H]3CCCC[C@@H]32)cc1 ZINC000195495970 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3c[nH]c4ccccc34)[C@H]3CCCC[C@H]32)cc1 ZINC000195495976 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3c[nH]c4ccccc34)[C@@H]3CCCC[C@@H]32)cc1 ZINC000195495981 JK Annotated Anodyne c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3c[nH]c4ccccc34)[C@H]3CCCC[C@@H]32)cc1 ZINC000195495986 JK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000195496048 JK Annotated Reactive CC(=O)Oc1c(OC(C)C)c(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c2[nH]c3ccccc3c12 ZINC000195497124 JK Annotated Reactive COc1ccc(/C=C2\CC[C@@H](C)[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000195497158 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@H](C)[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000195497162 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O ZINC000195497567 JK Annotated Anodyne CC(C)[Si](Oc1ccc2c(c1)C[C@H]1OC=C3[C@H]1[C@@]2(C#N)CCC31OCCO1)(C(C)C)C(C)C ZINC000195498452 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N/C(Sc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])C2 ZINC000195498714 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](N/C(Sc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])C2 ZINC000195498717 JK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@H](N/C(Sc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])C2 ZINC000195498721 JK Annotated Anodyne CCCCCCCCCCO[C@@H]1[C@@H]([C@@H](C)OCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000195498803 JK Annotated Mild CCCCCCCCCCO[C@H]1[C@@H]([C@@H](C)OCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000195498806 JK Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@@H](C)OCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000195498807 JK Annotated Mild CCCCCCCCCCO[C@H]1[C@H]([C@@H](C)OCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000195498810 JK Annotated Mild CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c(c1O)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000195498889 JK Annotated Reactive CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195499298 JK Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195499301 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCCCCCCCC[C@H]23)cc1 ZINC000195499556 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OC)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195500462 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(OC)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195500465 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(OC)cc45)[C@@H]3C2=O)cc1 ZINC000195500467 JK Annotated Anodyne CCCCCCCCCCCCO[C@@H]1[C@@H](COCCN2CCCCC2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000195501397 JK Annotated Mild CCCCCCCCCCCCO[C@H]1[C@@H](COCCN2CCCCC2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000195501399 JK Annotated Mild CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCCC2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000195501402 JK Annotated Mild CCCCCCCCCCCCO[C@H]1[C@H](COCCN2CCCCC2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000195501405 JK Annotated Mild CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195502421 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195502424 JK Annotated Anodyne CC(C)C1=C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13 ZINC000195502546 JK Annotated Anodyne CC(C)C1=C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13 ZINC000195502549 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1OC ZINC000195503495 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1OC ZINC000195503497 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1OC ZINC000195503500 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@H]31 ZINC000195503619 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@@H]31 ZINC000195503621 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@H]31 ZINC000195503624 JK Annotated Anodyne C[Si](C)(c1ccccc1)[C@H]1CCCC=C1CCNC1c2ccccc2CCc2ccccc21 ZINC000195505884 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(F)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195508735 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(F)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195508738 JK Annotated Anodyne CC(C)(Cl)[C@@H](Br)CC[C@@](Br)(CCl)[C@@H](Cl)CBr ZINC000195509014 JK Annotated Reactive CC(C)(Cl)[C@H](Br)CC[C@@](Br)(CCl)[C@@H](Cl)CBr ZINC000195509017 JK Annotated Reactive CC(C)(Cl)[C@@H](Br)CC[C@](Br)(CCl)[C@@H](Cl)CBr ZINC000195509019 JK Annotated Reactive CC(C)(Cl)[C@H](Br)CC[C@](Br)(CCl)[C@@H](Cl)CBr ZINC000195509022 JK Annotated Reactive CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195512966 JK Annotated Bother CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195512969 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195512971 JK Annotated Bother CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195512974 JK Annotated Bother COc1ccccc1N1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O ZINC000195514406 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CC[C@H](C(C)(C)C)C[C@H]12 ZINC000195514408 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@@H](C(C)(C)C)CC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C1=O ZINC000195514410 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 ZINC000195514533 JK Annotated Bother CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 ZINC000195514534 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 ZINC000195514536 JK Annotated Bother CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 ZINC000195514538 JK Annotated Bother COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)c(C)c1 ZINC000195514758 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000195514760 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@@H]4[C@@H](CC(C)(C)CC4(C)C)c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000195515378 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)c1 ZINC000195515767 JK Annotated Anodyne CCC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516100 JK Annotated Anodyne CCC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516102 JK Annotated Anodyne CCC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516104 JK Annotated Anodyne CCC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516106 JK Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O[C@H]1C=CCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000195516167 JK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O[C@@H]1C=CCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000195516169 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4c(C)cccc4c2[C@H]2CC[C@H](c4ccccc4)C[C@H]23)cc1 ZINC000195516495 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5c(C)cccc5c4[C@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195516497 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](c5ccccc5)CC[C@@H]4c4c([nH]c5c(C)cccc45)[C@@H]3C2=O)cc1 ZINC000195516498 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000195516842 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516852 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516853 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516855 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]3[C@@H]2C1 ZINC000195516856 JK Annotated Anodyne C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCCC=C[C@H]1C2 ZINC000195517238 JK Annotated Reactive C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCC/C=C/[C@H]1C2 ZINC000195517240 JK Annotated Reactive C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCCC=C[C@@H]1C2 ZINC000195517241 JK Annotated Reactive C=CCCCCNC(=O)C[C@@H]1C2=C(CC[C@H]1O[Si](C)(C)C(C)(C)C)N1C(=O)CCC/C=C/[C@@H]1C2 ZINC000195517243 JK Annotated Reactive COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000195517472 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5c(C)cccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195517827 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OC)cc5c4[C@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195518050 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(OC)cc4c2[C@H]2CC[C@H](C(C)C)C[C@H]23)cc1 ZINC000195518051 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OC)cc5c4[C@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195518053 JK Annotated Anodyne C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000195518507 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000195518508 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518727 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518728 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518730 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518731 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000195518733 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000195518734 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518867 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518869 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518871 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518872 JK Annotated Reactive C/C1=C(\CCO)SS/C(CCO)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000195519958 JK Annotated Reactive C/C1=C(/CCO)SS/C(CCO)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000195519961 JK Annotated Reactive CCOc1cc([C@@H]2N[C@@H](c3ccc(O)c(OCC)c3)[C@@H]3CC(C(C)(C)CC)C[C@@H]2C3=O)ccc1O ZINC000195520328 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](c3ccc(O)c(OCC)c3)[C@@H]3CC(C(C)(C)CC)C[C@@H]2C3=O)ccc1O ZINC000195520330 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](c3ccc(O)c(OCC)c3)[C@@H]3CC(C(C)(C)CC)C[C@@H]2C3=O)ccc1O ZINC000195520331 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@@H]2c1cc(OC)ccc1OC ZINC000195520661 JK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@H]2c1cc(OC)ccc1OC ZINC000195520663 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@H]2c1cc(OC)ccc1OC ZINC000195520665 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@@H]2c1ccc(OC)c(OC)c1 ZINC000195520667 JK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@H]2c1ccc(OC)c(OC)c1 ZINC000195520670 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@H]2c1ccc(OC)c(OC)c1 ZINC000195520671 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@@H]2c1ccc(O)c(OC)c1 ZINC000195520680 JK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@H]2c1ccc(O)c(OC)c1 ZINC000195520682 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@H]2c1ccc(O)c(OC)c1 ZINC000195520683 JK Annotated Anodyne O=C1Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NCC/C=C\CCCN1 ZINC000195523230 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl ZINC000195523609 JK Annotated Reactive C[C@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl ZINC000195523613 JK Annotated Reactive COc1ccc(N2C(=O)[C@H]3c4[nH]c5cc(Cl)ccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195525103 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4cc(Cl)ccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195525105 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5cc(Cl)ccc45)[C@@H]3C2=O)cc1 ZINC000195525107 JK Annotated Anodyne CC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C ZINC000195525182 JK Annotated Reactive C[C@@H]1CN2CCC[C@H]3CCCCCC[C@H]4O[C@H]5[C@H](CCCCCC[C@H]1O[C@@H]32)CCCN5C[C@H]4C ZINC000195832715 JK Annotated Anodyne C/C1=C\CC/C(C)=C/[C@@H]2OC(=O)[C@@]3(C[C@]4(C)C[C@H]3C3=C4C=CCC[C@@H]3C)[C@H]2CC/C(C)=C/CC1 ZINC000195862150 JK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H](CCC)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C ZINC000196136786 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000196240653 JK Annotated Mild O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO1 ZINC000196447870 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@]12CO[C@]([C@H](C)C=O)(CC[C@]1(C)O)[C@H]2CCCO ZINC000196451345 JK Annotated Mild CN(C)CCCN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@H]2[C@H]1c1ccccc1 ZINC000196481865 JK Annotated Anodyne CN(C)CCCN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000196481880 JK Annotated Anodyne OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000196552055 JK Annotated Anodyne C[C@H]1CN2CCC[C@H]3CCCCCC[C@H]4O[C@H]5[C@H](CCCCCC[C@H]1O[C@@H]32)CCCN5C[C@H]4C ZINC000196617726 JK Annotated Anodyne CCOC(=O)[C@]1(O)C[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/CC(C)C)C1=O ZINC000197167547 JK Annotated Mild CC(=O)OC[C@@H](COC(=O)[C@H]1[C@H](C)CC[C@]2(C)[C@H]3CCCC(C)(C)C3=CC[C@]12C)OC(C)=O ZINC000197180892 JK Annotated Anodyne C[C@@H]1CN2CCC[C@@H]3CCCCCC[C@@H]4O[C@@H]5[C@H](CCCCCC[C@@H]1O[C@H]32)CCCN5C[C@H]4C ZINC000197190001 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC(=O)[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)[C@H]4O[C@H]4[C@H]23)C1(C)C ZINC000197264391 JK Annotated Mild Cc1c(Br)cc2c(c1Br)O[C@@]1(CBr)CC[C@]2(C)[C@H]1C ZINC000197342092 JK Annotated Reactive C=C1CCC[C@@]2(C)CC[C@H](C3=CO[C@@]4(CC3)C(=O)O[C@@H]3C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]34)C[C@@H]12 ZINC000197351458 JK Annotated Mild C=C[C@@]1(C)CC[C@H](C2=CO[C@@]3(CC2)C(=O)O[C@@H]2C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]23)C[C@@H]1C(=C)C ZINC000197351489 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC(=O)[C@]4(CO)[C@H]3CC[C@@]21C ZINC000197393130 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@]1(C)C[C@@H]2O[C@@]23[C@]2(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000197834045 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@]1(C)C[C@@H]2O[C@@]23[C@]2(CC[C@H]4C(C)(C)[C@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000197834068 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(O)[C@@H]3CC[C@](C)([C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O)[C@H]3[C@@H]21 ZINC000197942981 JK Annotated Anodyne COc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)[C@@H]2OO[C@@H]2C(C)(C)O4)cc1 ZINC000198009180 JK Annotated Reactive COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)OC(C)(C)[C@H]2OO[C@@H]42)cc1 ZINC000198009201 JK Annotated Reactive CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000198014206 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000198015777 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000198017835 JK Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]12 ZINC000198042413 JK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]12 ZINC000198042414 JK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000198042558 JK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000198042561 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000198043657 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2cccc(C)c2)cc1OCC ZINC000198053188 JK Annotated Anodyne N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1C1CCC(O)CC1 ZINC000198217661 JK Annotated Anodyne CC1(C)OB(c2ccccc2CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)OC1(C)C ZINC000198306526 JK Annotated Mild CC(=O)Nc1ccccc1-c1ccc(-n2c(=N)n(Cc3cccc4[nH]ccc34)c3cc(F)ccc32)cn1 ZINC000198325648 JK Annotated Anodyne in-vivo O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc2c(cc1OCCN1CCOCC1)OCS2 ZINC000198381110 JK Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C=C(COC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](CC[C@@H]21)C3 ZINC000198396254 JK Annotated Clean N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(CCc3ccccc3)c2ncn1C1CCC(O)CC1 ZINC000198458458 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]2[C@]3(C)CC/C(=C(/C)CC/C=C(/C)C(=O)O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O ZINC000198489525 JK Annotated Mild CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccc(OC)cc1 ZINC000198498026 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000198498181 JK Annotated Anodyne COC(C)(C)/C=C/C[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000198510611 JK Annotated Anodyne COc1cccc2c1[nH]c1c([C@@H](O)C[C@@H](OC)c3nccc4c3[nH]c3ccccc34)ncc(OC)c12 ZINC000198525464 JK Annotated Anodyne CC(C)N1CCC(C(=O)Nc2ccccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000198544613 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C(=O)C([C@@H]3CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]3(C)CCO)=C[C@H](O)[C@H]2C1 ZINC000198547609 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](OC(C)=O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000198547639 JK Annotated Mild COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4cc(Cl)c(Cl)cc43)nc12 ZINC000198557303 JK Annotated Anodyne CCCCCCN1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000198609078 JK Annotated Anodyne COc1cc(Nc2nc(Cc3ccc(Cl)cc3)cc(C(C)(C)O)n2)ccc1-c1ccnc(C)n1 ZINC000198735809 JK Annotated Anodyne in-vivo C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)/C=C4\C=C(C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000198778104 JK Annotated Mild C[C@H]1CCCCCCC[C@@H]2CN3CCCCCC/C=C\CC[C@H]4C[C@H](CN(CC1)C4)[C@H]2CC3 ZINC000198788544 JK Annotated Anodyne CCCCCCN1C(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC=C[C@H]1C(C)C ZINC000198822935 JK Annotated Anodyne COc1c(C)c(C)c2[nH]c3ccc(Cc4c(C)c(OC)c(O)c5c4[nH]c4ccccc45)cc3c2c1O ZINC000198950468 JK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](c1cc(O)cc(C)c1O)c1oc2c(c1C)C[C@@]1(C)[C@@H](C=CC(=O)[C@@H]1C)C2 ZINC000198963262 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](c1cc(O)cc(C)c1O)c1oc2c(c1C)C[C@@]1(C)C(=C2)C=CC(=O)[C@@H]1C ZINC000198963291 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@]21N=C(N)N2CC(C)(C)CN=C21 ZINC000199086063 JK Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@@]21N=C(N)N2CC(C)(C)CN=C21 ZINC000199086076 JK Annotated Anodyne CC[C@@H]1CN=C2N(C1)C(N)=N[C@]21c2cc(-c3cc(F)cc(Cl)c3)ccc2CC12CCC(OC)CC2 ZINC000199086097 JK Annotated Anodyne CC[C@H]1CN=C2N(C1)C(N)=N[C@]21c2cc(-c3cc(F)cc(Cl)c3)ccc2CC12CCC(OC)CC2 ZINC000199086114 JK Annotated Anodyne CC[C@@H]1CN=C2N(C1)C(N)=N[C@@]21c2cc(-c3cc(F)cc(Cl)c3)ccc2CC12CCC(OC)CC2 ZINC000199086129 JK Annotated Anodyne CC[C@H]1CN=C2N(C1)C(N)=N[C@@]21c2cc(-c3cc(F)cc(Cl)c3)ccc2CC12CCC(OC)CC2 ZINC000199086144 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000199200264 JK Annotated Anodyne CC(=O)OCC[C@@]1(C)[C@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C/[C@H](C)C(C)C ZINC000199203648 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1ccc(Cl)cc1 ZINC000199225770 JK Annotated Anodyne CC(C)(C)[C@@H](c1nc2ccccc2[nH]1)n1c(Cc2csc3ccccc23)nc2ccccc21 ZINC000199240037 JK Annotated Anodyne CC(C)(C)[C@H](c1nc2ccccc2[nH]1)n1c(Cc2csc3ccccc23)nc2ccccc21 ZINC000199240055 JK Annotated Anodyne CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000199240151 JK Annotated Anodyne CSCC[C@H](c1nc2ccccc2[nH]1)n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000199240167 JK Annotated Anodyne CN(c1cccnc1)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1-c1cccnc1F ZINC000199262749 JK Annotated Anodyne Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(=O)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000199263197 JK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(N(C)c2cccnc2)c(-c2cccc(Cl)c2)c1 ZINC000199263336 JK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(N(C)c2cccnc2)c(-c2ccc(F)c(F)c2)c1 ZINC000199263359 JK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2cc(F)cc(F)c2)c1 ZINC000199263384 JK Annotated Anodyne Cc1cc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2N(C)c2cccnc2)ccc1F ZINC000199263734 JK Annotated Anodyne Cc1cc(-c2cc(NC(=O)Cc3c(C)[nH]c4ccccc34)ccc2N(C)c2cccnc2)ccc1F ZINC000199263760 JK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2ccc(F)c(F)c2)c1 ZINC000199263847 JK Annotated Anodyne Cc1cc(-c2cc(NC(=O)Cc3c(C)[nH]c4ccccc34)ccc2Nc2cccnc2)ccc1F ZINC000199264117 JK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2cccc(Cl)c2)c1 ZINC000199264267 JK Annotated Anodyne CCCc1ccc(-c2cc(NC(=O)Cc3c(C)[nH]c4ccccc34)ccc2Nc2cccnc2)cc1 ZINC000199264683 JK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2ccc(C(C)(C)C)cc2)c1 ZINC000199265231 JK Annotated Anodyne CCCN(C(=O)CCc1cn(CCC)c2ccccc12)c1ccc(N(C)c2ccccn2)cc1 ZINC000199265409 JK Annotated Anodyne CCCc1ccc(-c2cc(NC(=O)Cc3c(C)[nH]c4ccccc34)ccc2N(C)c2cccnc2)cc1 ZINC000199265753 JK Annotated Anodyne CN(c1cccnc1)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1-c1ccc(F)c(F)c1 ZINC000199265948 JK Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)NC(C)(C)[C@@H]3C=C4[C@@H](C)CCC[C@]4(C)CC3)[C@@H]12 ZINC000199296585 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCC[C@@H](C)CCCCCCCC/C=C/[C@@H](O)C#C ZINC000199331046 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCCC[C@@H](C)CCCCCCCC/C=C/[C@@H](O)C#C ZINC000199331070 JK Annotated Mild COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c1 ZINC000199364310 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c1 ZINC000199364386 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000199365432 JK Annotated Anodyne Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccc(C#N)cc3)nc12 ZINC000199365457 JK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C=C2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 ZINC000199370608 JK Annotated Mild Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3cccc(Cl)c3)nc12 ZINC000199372236 JK Annotated Anodyne C=C1CC[C@@](C)([C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000199383710 JK Annotated Mild Fc1cccc(Cc2c(-c3cccc(Br)c3)nc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000199384857 JK Annotated Anodyne CN1OC[C@@H]2CN(C(=O)c3cccc4ccccc34)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000199389525 JK Annotated Clean O=C(OCc1ccccc1)/C(C(=O)c1ccccc1Br)=C1/C=CC(c2ccccc2)=CN1 ZINC000199401491 JK Annotated Mild COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199422265 JK Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199422282 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@H]1c1ccccc1 ZINC000199423316 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@@H]1c1ccccc1 ZINC000199423333 JK Annotated Anodyne C=CCNC1=N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199425562 JK Annotated Mild C=CCNC1=N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199425575 JK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCC2CC2)=N[C@H]1c1cccc(Cl)c1 ZINC000199425597 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCC2CC2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199425605 JK Annotated Anodyne C=CCNC1=N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199425978 JK Annotated Mild C=CCNC1=N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199425993 JK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@H]1c1cccc(Cl)c1 ZINC000199426015 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199426031 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@H]1c1cccc(F)c1 ZINC000199426323 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@@H]1c1cccc(F)c1 ZINC000199426335 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@H]1c1ccc(F)cc1 ZINC000199426626 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@@H]1c1ccc(F)cc1 ZINC000199426641 JK Annotated Anodyne CCNC1=N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199429830 JK Annotated Anodyne CCNC1=N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199429853 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@H]1c1cccc(Cl)c1 ZINC000199429878 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199429893 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@H]1c1cccc(F)c1 ZINC000199430231 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@@H]1c1cccc(F)c1 ZINC000199430245 JK Annotated Anodyne C=CCNC1=N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430659 JK Annotated Mild C=CCNC1=N[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430676 JK Annotated Mild CCNC1=N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431167 JK Annotated Anodyne CCNC1=N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431177 JK Annotated Anodyne C=CCNC1=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431460 JK Annotated Mild C=CCNC1=N[C@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431476 JK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@H]1CCc1ccccc1 ZINC000199431492 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@@H]1CCc1ccccc1 ZINC000199431507 JK Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199433067 JK Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199433080 JK Annotated Anodyne C=CCNC1=N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199433726 JK Annotated Mild C=CCNC1=N[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199433746 JK Annotated Mild C=CCNC1=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199434044 JK Annotated Mild C=CCNC1=N[C@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199434064 JK Annotated Mild CCNC1=N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199434298 JK Annotated Anodyne CCNC1=N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199434320 JK Annotated Anodyne NC1(c2ccc(-c3nc4c(-c5ccc6cn[nH]c6c5)cccn4c3-c3ccccc3)cc2)CCC1 ZINC000199446137 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000199450393 JK Annotated Anodyne Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1Br ZINC000199450448 JK Annotated Anodyne CC(=O)C1=CC[C@H](/C(C)=C2/C(=O)C[C@@H]3[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]32C)[C@@H]1/C=C(\C)C(=O)O ZINC000199545573 JK Annotated Mild CC(=O)C1=CC[C@@H](/C(C)=C2/C(=O)C[C@@H]3[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]32C)[C@H]1/C=C(\C)C(=O)O ZINC000199548591 JK Annotated Mild C=C(C)[C@H](C[C@@H]1O[C@@H](O)C2=C(CC[C@H]3C(=C)[C@@H](O)CC[C@]23C)C1=O)[C@H](C)CC[C@H](CC)C(C)C ZINC000199569711 JK Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2Br)c1C(=O)c1cccs1 ZINC000199709813 JK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(N)c(C(=O)c3c[nH]c4ccccc34)c2-c2ccc(F)c(OC)c2)cc1 ZINC000199709838 JK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(N)c(C(=O)c3c[nH]c4ccccc34)c2-c2ccc(OC)cc2)cc1 ZINC000199709915 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)c1ccc(Br)cc1 ZINC000199710631 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)c(F)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000199710772 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1c[nH]c2ccc(F)cc12 ZINC000199711012 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2C(F)(F)F)c1C(=O)c1c[nH]c2ccccc12 ZINC000199711033 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000199711224 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)NCc1ccc(F)c(F)c1 ZINC000199711285 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000199711449 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc3ccccc3c2)c1C(=O)NCc1cccc2ccccc12 ZINC000199711469 JK Annotated Anodyne COCCN1C(=O)[C@H]2C[C@@]13O[C@H](c1ccc(C(F)(F)F)cc1)N=C3C[C@H](c1ccccc1)[C@H]2C ZINC000199724112 JK Annotated Anodyne CC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@H]1c1cccc(Br)c1 ZINC000199728110 JK Annotated Mild CC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@@H]1c1cccc(Br)c1 ZINC000199728136 JK Annotated Mild COc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000199730569 JK Annotated Anodyne COc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000199730592 JK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(Cc1ccco1)C2 ZINC000199732401 JK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(C1CCCCC1)C2 ZINC000199732477 JK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(C1CCCCC1)C2 ZINC000199732508 JK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(C(=O)c4ccccc4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199733071 JK Annotated Anodyne O=C(OCc1ccccc1)N1Cc2ccnnc2C[C@@H]1c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000199735050 JK Annotated Anodyne O=C(OCc1ccccc1)N1Cc2ccnnc2C[C@H]1c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000199735074 JK Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6cc(Cl)cc(Cl)c6)cccc5c4CCN3C(=O)[C@@H]12 ZINC000199738266 JK Annotated Anodyne C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C(=O)[C@@H]12 ZINC000199738842 JK Annotated Anodyne C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C(=O)[C@@H]12 ZINC000199738866 JK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)CC1CCCCC1 ZINC000199738938 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000199738968 JK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)C1CCCCC1 ZINC000199739561 JK Annotated Anodyne C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C(=O)[C@@H]12 ZINC000199739655 JK Annotated Anodyne C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C(=O)[C@@H]12 ZINC000199739679 JK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)CC1CCCCC1 ZINC000199739714 JK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)Nc3ccccc3)[C@H]([C@H](C)O)CN1CC2 ZINC000199740345 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(OC)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000199856582 JK Annotated Mild Cc1c(-c2cc(Nc3cc(C)n(C)n3)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000199858794 JK Annotated Anodyne Cc1cc(Nc2cc(-c3cccc(N4Cc5cc(C(C)(C)C)sc5C4=O)c3C)n[nH]c2=O)no1 ZINC000199975866 JK Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@]4(CO[C@]5(C4)C(=O)O[C@@H]4C[C@]6(C)CCC[C@@H](C)C6=C[C@@H]45)[C@@H]3C=C12 ZINC000199987463 JK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1 ZINC000002004683 JK Annotated Clean CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)=O)cc1Br ZINC000002006046 JK Annotated Anodyne CCN(c1nc(C)cc(-c2c(Cl)cccc2Cl)n1)c1ccc(C(C)C)cc1Br ZINC000002006054 JK Annotated Anodyne COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 ZINC000002027006 JK Annotated Reactive in-man Cc1ccc(N[P@](=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1 ZINC000002028023 JK Annotated Reactive O=[P@@](Nc1ccccc1)(Oc1c(F)c(F)c(F)c(F)c1F)N(CCCl)CCCl ZINC000002028048 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1)N2 ZINC000002059295 JK Annotated Reactive CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000002099696 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002185611 JK Annotated Mild Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CC[C@H]3C)sc2n1 ZINC000002452524 JK Annotated Anodyne Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)sc2n1 ZINC000002452526 JK Annotated Anodyne O=C1CN(C(=O)CC2CCCCC2)[C@@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456278 JK Annotated Anodyne O=C1CN(C(=O)CC2CCCCC2)[C@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456281 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002478140 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002478172 JK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000002478228 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCCCC1 ZINC000002478267 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC1CCCCC1 ZINC000002478270 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002478326 JK Annotated Bother O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002478332 JK Annotated Bother CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000002478354 JK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000002478403 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002478486 JK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 ZINC000002478500 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)cc1 ZINC000002479126 JK Annotated Anodyne COc1ccccc1-n1c(S[C@H]2CCCCC2=O)nc2c(sc(=S)n2-c2ccccc2)c1=O ZINC000002479392 JK Annotated Anodyne COc1ccccc1-n1c(S[C@@H]2CCCCC2=O)nc2c(sc(=S)n2-c2ccccc2)c1=O ZINC000002479393 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002479923 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cccc3ccccc23)cc1 ZINC000002479977 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000002480002 JK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000002480008 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(F)cc2Cl)c1OC ZINC000002480014 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)cc2F)c1OC ZINC000002480057 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)cc2F)c1 ZINC000002480059 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1ccc(CC)cc1 ZINC000002480073 JK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002480077 JK Annotated Anodyne COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480107 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)cc1 ZINC000002480111 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(CC)cc2)cc1 ZINC000002480123 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](C)C(C)C)cc1OC ZINC000002480135 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000002480137 JK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000002480143 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)C(C)C ZINC000002480167 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)C(C)C ZINC000002480168 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(CC)cc2)c1 ZINC000002480190 JK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480194 JK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002480197 JK Annotated Bother O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480200 JK Annotated Bother O=C(NCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480202 JK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480203 JK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCC(C)C)cc1OC ZINC000002480275 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCC(C)C ZINC000002480289 JK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl ZINC000002480300 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(F)cc2Cl)cc1OC ZINC000002480310 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)cc2F)cc1OC ZINC000002480360 JK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1OC ZINC000002480445 JK Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000002480575 JK Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002480691 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H](C)C(C)C)cc1 ZINC000002480780 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H](C)C(C)C)cc1 ZINC000002480788 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccc(C(C)C)cc2)cc1 ZINC000002480802 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCc2ccc(CC)cc2)cc1 ZINC000002480806 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCC(C)C)cc1 ZINC000002480900 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1F ZINC000002481054 JK Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002481099 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000002481103 JK Annotated Bother O=C(NCC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481223 JK Annotated Bother CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(OC)c1OC ZINC000002481253 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000002481328 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000002481331 JK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000002481333 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000002481341 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000002481344 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 ZINC000002481389 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 ZINC000002481391 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481458 JK Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F ZINC000002481475 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F ZINC000002481477 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F ZINC000002481483 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2Cl)noc1-c1ccsc1 ZINC000002481627 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)cc2F)cc1 ZINC000002481706 JK Annotated Anodyne O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002481845 JK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccsc2)ccc1OC ZINC000002481903 JK Annotated Anodyne O=C(NCc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481948 JK Annotated Bother O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481949 JK Annotated Bother O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002481995 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCC(C)C ZINC000002482109 JK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2Cl)noc1-c1ccsc1 ZINC000002482111 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482218 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482222 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482225 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482228 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482230 JK Annotated Anodyne O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482245 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482247 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002482272 JK Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000002482299 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NC1CCCCC1 ZINC000002482331 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCC1CCCCC1 ZINC000002482334 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482399 JK Annotated Bother O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482406 JK Annotated Bother CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000002482434 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482483 JK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2cccc3ccccc23)c1OC ZINC000002482530 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000002482533 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000002482566 JK Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482596 JK Annotated Bother COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)cc2F)c1OC ZINC000002482610 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2F)noc1-c1ccccc1 ZINC000002482619 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002482630 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2OCC)cc1 ZINC000002482632 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)cc1 ZINC000002482699 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002482702 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000002482705 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OCC)cc2)cc1 ZINC000002482710 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cccc3ccccc23)cc1 ZINC000002482766 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2F)noc1-c1ccsc1 ZINC000002482789 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(F)cc2Cl)cc(OC)c1 ZINC000002482805 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)cc2F)c1OC ZINC000002482862 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)cc2F)c1 ZINC000002482865 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)cc2F)cc(OC)c1 ZINC000002482868 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccc(CC)cc1 ZINC000002482885 JK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482890 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002482897 JK Annotated Anodyne O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482913 JK Annotated Anodyne O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482940 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)cc1 ZINC000002482950 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccc(CC)cc2)cc1 ZINC000002482967 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](C)C(C)C)cc1OC ZINC000002482978 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000002482980 JK Annotated Anodyne COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000002483003 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H](C)C(C)C ZINC000002483014 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H](C)C(C)C ZINC000002483016 JK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483053 JK Annotated Bother O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483061 JK Annotated Bother O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483063 JK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483065 JK Annotated Bother O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000002483067 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCC(C)C)cc1OC ZINC000002483185 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCC(C)C ZINC000002483213 JK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000002483228 JK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000002483268 JK Annotated Anodyne CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000002483311 JK Annotated Anodyne CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F)c1ccccc1 ZINC000002483321 JK Annotated Anodyne CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000002483411 JK Annotated Bother COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(-c3ccccc3)cc2)c1OC ZINC000002483445 JK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCOc1ccccc1 ZINC000002483457 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000002483472 JK Annotated Bother CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002483547 JK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002483553 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(-c3ccccc3)cc2)c1OC ZINC000002483556 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)cc1 ZINC000002483573 JK Annotated Anodyne CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002483611 JK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000002483632 JK Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000002483642 JK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002483653 JK Annotated Bother CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002483657 JK Annotated Bother CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000002483660 JK Annotated Bother CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000002483670 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002483681 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)cc1 ZINC000002483696 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)ccc1OC ZINC000002483702 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002483724 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(F)cc2Cl)ccc1OC ZINC000002483727 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002483739 JK Annotated Bother CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)ccc1OC ZINC000002483741 JK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000002483877 JK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000002483905 JK Annotated Bother COc1ccc(-c2noc(C)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000002484019 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2c(F)cccc2Cl)c1OC ZINC000002484695 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)cc2OC)cc1 ZINC000002484718 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl ZINC000002484927 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl ZINC000002484929 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2c(F)cccc2Cl)ccc1OC ZINC000002485766 JK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002486949 JK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002486953 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487161 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487163 JK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002487189 JK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002487192 JK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487316 JK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487317 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487348 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487350 JK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002487435 JK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002487437 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487725 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487728 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487730 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002487733 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487878 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487880 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487882 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487884 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002488246 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002488435 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002488436 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC(C)(C)O2 ZINC000002488632 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC(C)(C)O2 ZINC000002488634 JK Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000002489013 JK Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000002489015 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002489037 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002489039 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000002489045 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000002489046 JK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489099 JK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489101 JK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489232 JK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489233 JK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489303 JK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489304 JK Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002489327 JK Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002489329 JK Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489360 JK Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489362 JK Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489416 JK Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489417 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000002489623 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000002489624 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489633 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489635 JK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000002489654 JK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000002489656 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002491357 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002491359 JK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002491386 JK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002491389 JK Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002491424 JK Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002491426 JK Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002491476 JK Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002491477 JK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002491884 JK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002491885 JK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002491888 JK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002491889 JK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491969 JK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491972 JK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492027 JK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492029 JK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492031 JK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492033 JK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492116 JK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492118 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492207 JK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492231 JK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492233 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492235 JK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492290 JK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492293 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492347 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492348 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492349 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492351 JK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492458 JK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492462 JK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492464 JK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000002492500 JK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000002492502 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492555 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492559 JK Annotated Anodyne N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000002493938 JK Annotated Reactive Cn1nc(-c2ccccc2)c2c(C(=O)C(F)(F)F)cc(C(=O)C(F)(F)F)c-2c1-c1ccccc1 ZINC000002495434 JK Annotated Clean Cc1ccc(-c2csc(-c3cc4cc(Br)cc(Br)c4oc3=O)n2)c(C)c1 ZINC000002496633 JK Annotated Anodyne O=c1[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2nc1CSCc1ccccc1 ZINC000002499624 JK Annotated Anodyne Oc1nc2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2nc1Cc1ccc(F)cc1 ZINC000002499723 JK Annotated Anodyne Fc1ccc(CN(Cc2ccccc2)[C@@H](c2cccs2)c2nnnn2C2CCCCC2)cc1 ZINC000020098724 JK Annotated Anodyne aggregator Fc1ccc(CN(Cc2ccccc2)[C@H](c2cccs2)c2nnnn2C2CCCCC2)cc1 ZINC000020098726 JK Annotated Anodyne aggregator CCN1CCN(c2cc(C)c3cc(/N=C(\O)CC/C(O)=N/C4CCCCC4)ccc3n2)CC1 ZINC000020104591 JK Annotated Mild COc1cc2c(C(=O)N(C)C3CCCCC3)c(-c3ccc(SC)cc3)n(C)c(=O)c2cc1OC ZINC000020104597 JK Annotated Anodyne CCN(C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12)c1cc(Cl)ccc1OC ZINC000020104624 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O ZINC000020109660 JK Annotated Bother COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O ZINC000020109661 JK Annotated Bother Cc1ccc([C@@H]2N=C(SCCC(C)C)N[C@H](c3ccc(C)cc3)[C@@]23C(=O)NC(=O)N=C3O)cc1 ZINC000020117166 JK Annotated Anodyne Cc1ccc([C@H]2N=C(SCCC(C)C)N[C@H](c3ccc(C)cc3)[C@]23C(=O)NC(=O)N=C3O)cc1 ZINC000020117168 JK Annotated Anodyne Cc1ccc([C@@H]2N=C(SCCC(C)C)N[C@@H](c3ccc(C)cc3)[C@]23C(=O)NC(=O)N=C3O)cc1 ZINC000020117170 JK Annotated Anodyne c1csc(CNc2nc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)nc3ccccc23)c1 ZINC000020167743 JK Annotated Anodyne c1csc(CNc2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)nc3ccccc23)c1 ZINC000020167746 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000020190428 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000020190432 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000020190509 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(C)C)cc1 ZINC000020190512 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000020190545 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000020190548 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(SC)cc1 ZINC000020190618 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc2ccccc12 ZINC000020190859 JK Annotated Mild COc1ccc(-c2nn(C)c3sc(/C(O)=N/c4ccc(Br)cc4C)cc23)cc1OC ZINC000020233546 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000020324093 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000020324100 JK Annotated Anodyne O=C(NCCCN(Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000020329399 JK Annotated Anodyne FC(F)(F)c1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c1 ZINC000020388549 JK Annotated Anodyne FC(F)(F)c1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c1 ZINC000020388555 JK Annotated Anodyne Cc1ccnc(SCC(=O)N2CCC(c3c[nH]c4ccccc34)(c3c[nH]c4ccccc34)CC2)n1 ZINC000020415354 JK Annotated Anodyne Cc1noc(C)c1CCC(=O)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 ZINC000020415370 JK Annotated Anodyne O=C(CCc1cc(Cl)no1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 ZINC000020415385 JK Annotated Anodyne Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450563 JK Annotated Anodyne Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450565 JK Annotated Anodyne Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450567 JK Annotated Anodyne Cc1cnc(SC[C@H]2CCCO2)nc1[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450569 JK Annotated Anodyne CC(C)=CCc1c(O)c(C(=O)/C=C/c2ccccc2)c2c3c1O[C@]1(C)CC[C@@H]([C@H]3C1)C(C)(C)O2 ZINC000200004281 JK Annotated Mild C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](C)O2)O1)C[C@@H](C)/C=C/C=C1\COC(=O)c2cc(C)ccc21 ZINC000200021484 JK Annotated Anodyne CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@H](O)[C@@H](O)CC[C@H](C)C[C@@H](O)[C@@H](C)C(=O)O1 ZINC000200039657 JK Annotated Anodyne CC[C@H](C)CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)[C@@H]1O ZINC000200177664 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000200198909 JK Annotated Mild CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccccc3Cl)C2)N=C1N ZINC000200297675 JK Annotated Anodyne CC1(C)O[C@@](C)([C@H]2CC[C@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)CC[C@H]1Cl ZINC000200381764 JK Annotated Reactive C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]4C(=C(CC(=O)O)C(=O)C[C@H]4C)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000200425565 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]4[C@H](C[C@@]23C)c2c(C(=O)O)coc2C[C@H]4C)[C@@]1(C)CCC(=O)O ZINC000200428097 JK Annotated Mild CC(=O)C1=CC[C@@H](/C(C)=C2\C(=O)C[C@@H]3[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]32C)[C@@H]1/C=C(\C)C(=O)O ZINC000200453228 JK Annotated Mild COC(=O)/C(C)=C/[C@@H]1C(C(C)=O)=CC[C@H]1/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000200453278 JK Annotated Mild Clc1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5Cl)c4c3)cc21 ZINC000200474686 JK Annotated Anodyne Fc1cccc(F)c1Cn1ccc2ccc(-c3ccc4ccn(Cc5c(F)cccc5F)c4c3)cc21 ZINC000200475020 JK Annotated Anodyne Fc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(F)cc6F)c5c4)cc32)c(F)c1 ZINC000200475170 JK Annotated Anodyne Fc1ccc(F)c(Cn2ccc3ccc(-c4ccc5ccn(Cc6cc(F)ccc6F)c5c4)cc32)c1 ZINC000200475218 JK Annotated Anodyne c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(-c7cccs7)c6)c5c4)cc32)cc1 ZINC000200475358 JK Annotated Anodyne COc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccc(C#N)cc5)c4c3)cc21 ZINC000200475776 JK Annotated Mild N#Cc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6)c5c4)cc32)cc1 ZINC000200475877 JK Annotated Mild COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6C)c5c4)cc32)c1 ZINC000200476491 JK Annotated Anodyne FC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200476717 JK Annotated Anodyne COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCC6)c5c4)cc32)c1 ZINC000200476765 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6)c5c4)cc32)cc1 ZINC000200476807 JK Annotated Anodyne FC(F)(F)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)cc1 ZINC000200476899 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccc(C)cc6)c5c4)cc32)cc1 ZINC000200476949 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6OC)c5c4)cc32)cc1 ZINC000200477002 JK Annotated Anodyne COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccc(C)cc6)c5c4)cc32)c1 ZINC000200477057 JK Annotated Anodyne COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCCCC6)c5c4)cc32)c1 ZINC000200477108 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6C)c5c4)cc32)cc1 ZINC000200477165 JK Annotated Anodyne FC(F)(F)Oc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)c1 ZINC000200477215 JK Annotated Anodyne c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(-c7ccsc7)c6)c5c4)cc32)cc1 ZINC000200477417 JK Annotated Anodyne COc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200477563 JK Annotated Anodyne Cc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccc(C#N)cc5)c4c3)cc21 ZINC000200477864 JK Annotated Mild N#Cc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCCCC6)c5c4)cc32)cc1 ZINC000200478068 JK Annotated Mild COc1cccc(C(=O)n2ccc3ccc(-c4ccc5ccn(Cc6ccc(C#N)cc6)c5c4)cc32)c1 ZINC000200478321 JK Annotated Mild COC(=O)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6C)c5c4)cc32)cc1 ZINC000200478418 JK Annotated Anodyne Cc1ccc(C(=O)n2ccc3ccc(-c4ccc5ccn(Cc6ccc(C#N)cc6)c5c4)cc32)cc1 ZINC000200478471 JK Annotated Mild O=C(c1cccs1)n1ccc2ccc(-c3ccc4ccn(C(=O)c5cccs5)c4c3)cc21 ZINC000200478520 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6F)c5c4)cc32)cc1 ZINC000200478746 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(F)c6)c5c4)cc32)cc1 ZINC000200478796 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(F)cc6)c5c4)cc32)cc1 ZINC000200478950 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(OC)cc6)c5c4)cc32)cc1 ZINC000200479046 JK Annotated Anodyne COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCCCC6)c5c4)cc32)cc1 ZINC000200479095 JK Annotated Anodyne N#Cc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(C#N)c6)c5c4)cc32)c1 ZINC000200479251 JK Annotated Mild COC(=O)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCCCC6)c5c4)cc32)cc1 ZINC000200479508 JK Annotated Anodyne COC(=O)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6)c5c4)cc32)cc1 ZINC000200479596 JK Annotated Anodyne COC(=O)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccc(C)cc6)c5c4)cc32)cc1 ZINC000200479636 JK Annotated Anodyne CCOC(OCC)[P@@](=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC ZINC000200550205 JK Annotated Anodyne CCOC(OCC)[P@](=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC ZINC000200550239 JK Annotated Anodyne C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000200556356 JK Annotated Mild CN(c1ccccc1)C1N2Cc3cc(Br)ccc3N1Cc1cc(Br)ccc12 ZINC000200622084 JK Annotated Anodyne C=C1CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CCc1c(C)ccc2c(C)c(O)c(O)cc12 ZINC000200698964 JK Annotated Mild O=C1Nc2ccc(F)cc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 ZINC000200711814 JK Annotated Anodyne COc1cc(/C=C/[C@@H]2c3c(ccc(OC)c3OC)-c3ccc4cc5c(cc4c3N2C)OCO5)ccc1O ZINC000200726509 JK Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OCc1ccccc1C(F)(F)F ZINC000200835638 JK Annotated Mild COC(=O)[C@](/C=C/c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200890501 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2c(C)cccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200890915 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200890965 JK Annotated Anodyne COC(=O)[C@](c1cccc(OC)c1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200891119 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000200891221 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000200942054 JK Annotated Reactive CC(C)=C1CN([C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)N(C)C)[C@@H]4CC[C@H]3[C@H]2O)C1=O ZINC000201428201 JK Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000201440767 JK Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2ccc(Br)s2)c1 ZINC000201440932 JK Annotated Anodyne C=CCNC(=O)CN(C(=O)c1csc2ccc(Cl)cc12)c1cccc(Br)c1 ZINC000201460913 JK Annotated Mild CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC(c3cn4ccccc4n3)CC2)c(C(C)C)c1 ZINC000201465453 JK Annotated Anodyne CC[C@H](CCCCCCCn1ccc2ccccc21)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000201483793 JK Annotated Anodyne Cc1cc(O)c(O)c(Oc2cc(C)c3c4c(c(=O)oc3c2O)Nc2c(O)cc(C)cc2S4)c1 ZINC000201561483 JK Annotated Clean Cc1cc(O)c(Oc2cc(C)c3c4c(c(=O)oc3c2O)Nc2c(O)cc(C)cc2S4)c(O)c1 ZINC000201561531 JK Annotated Anodyne CCNc1nc2ccc(OCC)cc2cc1Cc1c(=O)[nH]c(CC)c2cc(OC)c(OC)cc12 ZINC000201591982 JK Annotated Anodyne CCCNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(CC)c2cc(OC)c(OC)cc12 ZINC000201592022 JK Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NC(C)C)c2cc(OC)c(OC)cc12 ZINC000201592073 JK Annotated Anodyne CCNc1nc2ccc(OCC)cc2cc1Cc1c(=O)[nH]c(C(C)C)c2cc(OC)c(OC)cc12 ZINC000201595510 JK Annotated Anodyne CCNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(C(C)C)c2cc(OC)c(OC)cc12 ZINC000201595557 JK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OCC)ccc3nc2NCC)c2cc(OC)c(OC)cc12 ZINC000201599415 JK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCC)c2cc(OC)c(OC)cc12 ZINC000201599464 JK Annotated Anodyne CCCNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(CCC)c2cc(OC)c(OC)cc12 ZINC000201599564 JK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NC(C)C)c2cc(OC)c(OC)cc12 ZINC000201599612 JK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12 ZINC000201610470 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C ZINC000201663125 JK Annotated Reactive COC(=O)c1[nH]c(C(=O)OC)c2c1-c1c([nH]c3ccc(Cl)cc13)[C@@]21CN(C)c2ccc(Cl)cc21 ZINC000201673868 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000201676762 JK Annotated Mild C[C@@]12CC3CC(NC(=O)c4cn5c6c(cccc6c4=O)OC[C@H]5c4ccccc4)(C1)C[C@](C)(C3)C2 ZINC000202044085 JK Annotated Anodyne C/C(=C\C=C\[C@]1(C)CC[C@@H](Br)C(C)(C)O1)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 ZINC000202156438 JK Annotated Reactive COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3cccc(Cl)c3Cl)[C@H]21 ZINC000202241358 JK Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3cccc(Cl)c3Cl)[C@@H]21 ZINC000202241388 JK Annotated Anodyne Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccccc2)n1 ZINC000202368869 JK Annotated Anodyne CC1=C2[C@H]3C[C@](C)([C@H](CC(C)C)c4c(O)c(C=O)c(O)c(C=O)c4O3)[C@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000202776989 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@H]4C(C)=C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000203345683 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000203345692 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000203347568 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000203347577 JK Annotated Mild CCCc1[nH]c(=O)c(Cc2cc3cc(OCC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12 ZINC000203389721 JK Annotated Anodyne COC(=O)c1cc(C2(c3c[nH]c4ccccc34)CCN(C(=O)OC(C)(C)C)CC2)n2ccccc12 ZINC000203451799 JK Annotated Anodyne CCCCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCCCC[C@@]21C(=O)OCC ZINC000203464626 JK Annotated Anodyne CCCC[C@@H]1C(=O)N2N=Cc3cc4ccccc4cc3[C@H]2N2N=Cc3cc4ccccc4cc3[C@@H]12 ZINC000203465133 JK Annotated Anodyne C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4cc(-c5ccc6c(c5)OCO6)ccc4CCN3C[C@@H]12 ZINC000203467222 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)CC1CCCCC1 ZINC000203467232 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000203467276 JK Annotated Anodyne C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@@H]12 ZINC000203467282 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)CC1CCCCC1 ZINC000203467288 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)C1CCCCC1 ZINC000203467302 JK Annotated Anodyne C[C@@H]1O[C@@H](c2ccccc2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@@H]12 ZINC000203467319 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)CC1CCCCC1 ZINC000203467602 JK Annotated Anodyne Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203467611 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000203468131 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000203468146 JK Annotated Anodyne O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000203468542 JK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)c3ccco3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468770 JK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)C3CCCCC3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468802 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(C4=CCCCC4)nn3)ccc21 ZINC000203470824 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(C4=CCCCC4)nn3)ccc21 ZINC000203470830 JK Annotated Anodyne N=C1N(C(=O)OCc2ccccc2)/C(=C\C2=CCCCC2)[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000203471226 JK Annotated Anodyne N=C1N(C(=O)OCc2ccccc2)/C(=C\C2=CCCCC2)[C@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000203471231 JK Annotated Anodyne COc1ccc(CN2C/C(=C/C3=CCCCC3)N(C(=O)OCc3ccccc3)C2=N)c(OC)c1 ZINC000203471268 JK Annotated Anodyne N/C(=N\C(=O)OCc1ccccc1)N(Cc1ccccc1)[C@H](C#CC1=CCCCC1)Cc1ccccc1 ZINC000203471412 JK Annotated Mild N/C(=N\C(=O)OCc1ccccc1)N(Cc1ccccc1)[C@@H](C#CC1=CCCCC1)Cc1ccccc1 ZINC000203471417 JK Annotated Mild COc1ccc(CN2C/C(=C/c3ccc(C)cc3)N3C(=O)C[C@@H](c4ccccc4)N=C23)c(OC)c1 ZINC000203471909 JK Annotated Anodyne COc1ccc([C@@H](CCOC(=O)Oc2ccccc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000203471983 JK Annotated Anodyne COc1ccc([C@H](CCOC(=O)Oc2ccccc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000203471988 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](c2ccccc2O)c2cn(C)c3ccccc23)cc1 ZINC000203471997 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](c2ccccc2O)c2cn(C)c3ccccc23)cc1 ZINC000203472005 JK Annotated Anodyne COc1ccc2c([C@H](c3ccccc3O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)cn(C)c2c1 ZINC000203472012 JK Annotated Anodyne COc1ccc2c([C@H](c3ccccc3O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)cn(C)c2c1 ZINC000203472017 JK Annotated Anodyne CC[C@@H](CCCCCCCn1ccc2ccccc21)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000203473127 JK Annotated Anodyne O=c1c2ccccc2[nH]n1[C@@H](Cc1ccccc1)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000203473869 JK Annotated Anodyne O=c1c2ccccc2n(Cc2ccco2)n1[C@@H](Cc1ccccc1)Cn1cc(C2CCCC2)nn1 ZINC000203473894 JK Annotated Anodyne O=c1c2ccccc2n(Cc2ccccc2)n1[C@@H](Cc1ccccc1)Cn1cc(C2CCCC2)nn1 ZINC000203473910 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(C(=O)Nc3cc(C)cc(C)c3)CC(c3ccccc3C(F)(F)F)=NO2)cc1 ZINC000203473939 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(C(=O)Nc3cc(C)cc(C)c3)CC(c3ccccc3C(F)(F)F)=NO2)cc1 ZINC000203473945 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3c(C)cccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475025 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3c(C)cccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475028 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3c(C)cccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475032 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3c(C)cccc3C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475037 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475045 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475048 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475054 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475060 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475067 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475071 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475076 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475080 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475086 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475090 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475093 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475097 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Cl)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475100 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Cl)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475103 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475108 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000203475112 JK Annotated Anodyne C=C1CC[C@@](C)([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000203528194 JK Annotated Mild Cc1c(S(=O)(=O)NCCO)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1 ZINC000203531580 JK Annotated Anodyne O=C1[C@]2(CCC[C@]13C[C@@H]3c1ccc(Br)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000203697014 JK Annotated Anodyne O=C1[C@]2(CCC[C@]13C[C@@H]3c1ccc(Br)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000203697024 JK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCC[C@]2(C[C@@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000203697066 JK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCCC[C@]2(C[C@@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000203697089 JK Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000203737540 JK Annotated Anodyne in-vitro COc1ccc([C@@H](Nc2ncc(Cl)cc2C)c2ccc3cccnc3c2O)c(OC)c1OC ZINC000203771300 JK Annotated Clean COc1ccc([C@H](Nc2ncc(Cl)cc2C)c2ccc3cccnc3c2O)c(OC)c1OC ZINC000203771315 JK Annotated Clean Cc1cc(Cl)cnc1N[C@H](c1cc(C(F)(F)F)ccc1Cl)c1ccc2cccnc2c1O ZINC000203771360 JK Annotated Clean Cc1cc(Cl)cnc1N[C@@H](c1cc(C(F)(F)F)ccc1Cl)c1ccc2cccnc2c1O ZINC000203771369 JK Annotated Clean CCc1c(Cl)cnc(N[C@H](c2ccc(OC)c(OC)c2OC)c2ccc3cccnc3c2O)c1F ZINC000203772134 JK Annotated Clean CCc1c(Cl)cnc(N[C@@H](c2ccc(OC)c(OC)c2OC)c2ccc3cccnc3c2O)c1F ZINC000203772146 JK Annotated Clean COC[C@@H]1C[C@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000203933609 JK Annotated Anodyne Nc1n[nH]c2c(-c3cccc(OC(F)(F)F)c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000204810613 JK Annotated Anodyne CC(C)COc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)c1 ZINC000204825032 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)[C@@H]2CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@]21C ZINC000204856185 JK Annotated Mild CC(=O)O[C@H](CCC(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000204856209 JK Annotated Mild CC(=O)O[C@H](CCC(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000204856233 JK Annotated Mild CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H](CCC(C)C)OC(C)=O ZINC000204856256 JK Annotated Mild CC(=O)O[C@H](CCC(C)C)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000204856278 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)c2ccc(C(F)(F)F)cc21 ZINC000204984257 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)c2ccc(C(F)(F)F)cc21 ZINC000204984282 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)c2ccc(C(F)(F)F)cc21 ZINC000204984313 JK Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)c2ccc(C(F)(F)F)cc21 ZINC000204984331 JK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(F)(F)CC6)cc5c4)n3c2)cn1 ZINC000204990969 JK Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(F)(F)CC6)cc5c4)n3c2)cn1 ZINC000204990995 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC000020507984 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC000020507986 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC000020507988 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC000020507990 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000020507992 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]1c1cccs1 ZINC000020507994 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000020507997 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]1c1cccs1 ZINC000020508000 JK Annotated Anodyne CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000020561920 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000020561922 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1c(F)cccc1Cl ZINC000020561925 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1c(F)cccc1Cl ZINC000020561928 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000020595323 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000020595325 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000020595327 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000020595329 JK Annotated Mild COc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c1O ZINC000020598460 JK Annotated Clean COc1cccc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c1O ZINC000020598461 JK Annotated Clean CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000020609134 JK Annotated Anodyne O=C1[C@@H](C/C(O)=N/C2CCCCC2)N=C2c3ccccc3N=C(SC/C(O)=N/C3CCCCC3)N12 ZINC000020643055 JK Annotated Anodyne CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1C ZINC000020677728 JK Annotated Anodyne CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)c1C ZINC000020677746 JK Annotated Anodyne CC(C)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1cc(Br)ccc1O)N2 ZINC000020765116 JK Annotated Clean CSC1=N/C(=N/c2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccccc1Cl ZINC000020805810 JK Annotated Mild Cc1cnc([C@H](CCC(C)C)NC(=O)Cc2ccc3oc([C@H](O)c4c(C)noc4C)cc3c2)c(C)c1 ZINC000205036209 JK Annotated Anodyne Cc1cnc([C@@H](CCC(C)C)NC(=O)Cc2ccc3oc([C@@H](O)c4c(C)noc4C)cc3c2)c(C)c1 ZINC000205037177 JK Annotated Anodyne Cc1cnc([C@@H](CCC(C)C)NC(=O)Cc2ccc3oc([C@H](O)c4c(C)noc4C)cc3c2)c(C)c1 ZINC000205043979 JK Annotated Anodyne N#Cc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3[N+](=O)[O-])c2n1 ZINC000205093486 JK Annotated Mild N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3cccc(C(F)(F)F)c3)c2n1 ZINC000205096464 JK Annotated Mild Cc1nc2ccc(Br)cc2n1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000205101260 JK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc3ccc(Br)cc32)c(C(C)C)c1 ZINC000205101326 JK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(-c3cccc(C(F)(F)F)c3)cn2)n1 ZINC000205156377 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCC/C=C\C#CC(=O)O ZINC000205165645 JK Annotated Mild CC(C)(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1cc2ccccc2s1 ZINC000205168771 JK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1 ZINC000205184533 JK Annotated Anodyne COc1ccc(CC(=O)N2[C@H](c3nc4c(OCc5ccccc5)cccc4[nH]3)[C@H]3CC[C@@H]2C3)cc1 ZINC000205208733 JK Annotated Anodyne COc1cccc(OC)c1NC(=O)N1[C@H](c2nc3c(OC(C)C)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000205210012 JK Annotated Anodyne CN(C)c1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)cc3n2Cc2ccccc2)cc1 ZINC000205210786 JK Annotated Clean Oc1ccc([C@H]2[C@@H]3c4cc(O)cc(O)c4[C@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000205217611 JK Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 ZINC000205219178 JK Annotated Anodyne CN(C)C(=O)c1ccc(CN2C(=O)COCc3cc(-c4csc5ccccc45)ccc32)cc1 ZINC000205222658 JK Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)c1 ZINC000205226057 JK Annotated Anodyne O=C(Nc1cccc(Cc2ccccc2)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205227196 JK Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205234951 JK Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205235032 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]([C@H](C)CO)[C@@]4(CCC(=O)O4)C[C@H]3CC[C@]12C ZINC000205285118 JK Annotated Mild CCO[C@@H]1C[C@H](c2scnc2C)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC000205312368 JK Annotated Anodyne CCO[C@H]1C[C@H](c2scnc2C)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC000205312382 JK Annotated Anodyne CCO[C@@H]1C[C@@H](c2scnc2C)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC000205312402 JK Annotated Anodyne CCO[C@H]1C[C@@H](c2scnc2C)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1 ZINC000205312419 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000205344250 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000205345218 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C[C@]56OC(=O)C[C@H]5OC(C)(C)[C@@H]6C=C4)C(=O)C[C@]23C)OC1=O ZINC000205371253 JK Annotated Mild CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@H]2O[C@@]23C=CC(=O)OC(C)(C)[C@@H]3CC4)OC1=O ZINC000205371300 JK Annotated Mild C[N+](C)(C)[C@H]1Oc2c(cc3cc[nH]c4ccnc2c34)O[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000205429716 JK Annotated Bother CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc(Br)s3)s1)c1c(C)cc(C)n1[B-]2(F)F ZINC000205435340 JK Annotated Anodyne C/C1=C/CC[C@@]2(C)[C@@H](Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H]2c2ccccc2)[C@H]2[C@@H](CC1)C2(C)C ZINC000205534476 JK Annotated Anodyne CCN(c1ccc(Cl)cc1)S(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000205575637 JK Annotated Anodyne in-vitro CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000205660698 JK Annotated Anodyne C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)C/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000205662662 JK Annotated Mild C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)C/C=C(/C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000205662692 JK Annotated Mild CC(C)/C1=C/C(=O)[C@@H](C)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000205668936 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000205685853 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000205685880 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H](O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000205685905 JK Annotated Anodyne COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)c2c[nH]c3ccccc23)cc1OC ZINC000205703780 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000205703829 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)NCCC1=CCCCC1 ZINC000205703859 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc3ccccc3c2)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000205703884 JK Annotated Anodyne O=C1C[C@@H](c2ccc3ccccc3c2)N=C2N(Cc3ccc4c(c3)OCO4)C/C(=C/c3ccccc3)N12 ZINC000205704296 JK Annotated Anodyne O=C1C[C@H](c2ccc3ccccc3c2)N=C2N(Cc3ccc4c(c3)OCO4)C/C(=C/c3ccccc3)N12 ZINC000205704316 JK Annotated Anodyne S=C(Nc1ccccc1I)O[C@H]1CCC12CCC(c1ccccc1)CC2 ZINC000205707074 JK Annotated Anodyne S=C(Nc1ccccc1I)O[C@@H]1CCC12CCC(c1ccccc1)CC2 ZINC000205707093 JK Annotated Anodyne S=C(Nc1ccccc1Br)OCCN1CCCC12CCC(c1ccccc1)CC2 ZINC000205710301 JK Annotated Anodyne FC(F)(F)c1ccccc1NC(=S)OCCN1CCCC12CCC(c1ccccc1)CC2 ZINC000205710365 JK Annotated Anodyne S=C(Nc1ccc(Br)cc1)OCCN1CCCC12CCC(c1ccccc1)CC2 ZINC000205710397 JK Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2ccc(Cl)c(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205710564 JK Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712296 JK Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712583 JK Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713107 JK Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCCc2c[nH]c3ccccc23)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713212 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2O[C@@H](c3ccccc3)C[C@H]2CON2C(C)(C)CCCC2(C)C)cc1 ZINC000205715448 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2O[C@@H](c3ccccc3)C[C@H]2CC=C(c2ccccc2)c2ccccc2)cc1 ZINC000205715625 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2O[C@H](c3ccccc3)C[C@H]2CC=C(c2ccccc2)c2ccccc2)cc1 ZINC000205715653 JK Annotated Anodyne COc1ccc2c(c1)C[C@@H](CON1C(C)(C)CCCC1(C)C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000205715817 JK Annotated Anodyne CN1C2=N[C@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000205716341 JK Annotated Anodyne CN1C2=N[C@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000205716359 JK Annotated Anodyne CN1C2=N[C@@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000205716381 JK Annotated Anodyne CN1C2=N[C@@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000205716402 JK Annotated Anodyne CN1C2=N[C@H](c3ccccc3Br)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1 ZINC000205716697 JK Annotated Anodyne CN1C2=N[C@@H](c3cccc(C(F)(F)F)c3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1 ZINC000205716722 JK Annotated Anodyne CN1C2=N[C@H](c3cccc(C(F)(F)F)c3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1 ZINC000205716741 JK Annotated Anodyne CN1C2=N[C@H](c3ccc(Br)cc3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1 ZINC000205716769 JK Annotated Anodyne CN1C2=N[C@@H](c3ccc(Br)cc3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1 ZINC000205716789 JK Annotated Anodyne CCCC/C=C1/[C@@H](C(C)C)N(Cc2ccc3c(c2)OCO3)C2=N[C@H](c3ccccc3)CC(=O)N21 ZINC000205716925 JK Annotated Anodyne CC(C)(C)[C@@H]1/C(=C/C2CC2)N2C(=O)C[C@@H](c3ccccc3)N=C2N1Cc1ccc2c(c1)OCO2 ZINC000205716953 JK Annotated Anodyne CCCC/C=C1/[C@@H](CC)N(Cc2ccc(OC)cc2OC)C2=N[C@H](c3ccccc3)CC(=O)N21 ZINC000205717626 JK Annotated Anodyne CCCC/C=C1/[C@@H](CC)N(Cc2ccc(OC)cc2OC)C2=N[C@@H](c3ccccc3)CC(=O)N21 ZINC000205717649 JK Annotated Anodyne CC[C@@H]1/C(=C/c2ccccc2)N2C(=O)C[C@@H](c3ccccc3)N=C2N1Cc1ccc(OC)cc1OC ZINC000205717673 JK Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC=C(C)C)c3ccccc3N(C(=O)OC(C)(C)C)[C@H]2N1C(=O)OC(C)(C)C ZINC000205718183 JK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000205722484 JK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000205723956 JK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000205740020 JK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H]2CC[C@@H]3Cc4cc(C(=O)O)ccc4O[C@@]3(C)[C@]2(C)CC[C@H]1Br ZINC000205751810 JK Annotated Reactive CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@@H](C)CC)c3c(c2OC)C=CC(C)(C)O3)c(OC)c1C ZINC000205791311 JK Annotated Anodyne CCc1oc(OC)c(Cc2c(O)c(C(=O)[C@@H](C)CC)c3c(c2OC)C=CC(C)(C)O3)c(=O)c1C ZINC000205793624 JK Annotated Anodyne CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC=C(C)[C@]23CCC2=C3CC[C@H]3C(C)(C)C(=O)CC[C@]23C)OC1=O ZINC000205834038 JK Annotated Anodyne O=[N+]([O-])c1nccn1CCC[Si](F)(c1cccc2ccccc12)c1cccc2ccccc12 ZINC000205835968 JK Annotated Unstable F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2N[C@H]2C(c3ccccc3)=CC(c3ccccc3)=[N+]21 ZINC000205852605 JK Annotated Anodyne F[B-]1(F)n2c(-c3ccccc3)cc(-c3ccccc3)c2N[C@@H]2C(c3ccccc3)=CC(c3ccccc3)=[N+]21 ZINC000205852623 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1ccsc1 ZINC000205855509 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)NCc1ccc(F)cc1 ZINC000205855531 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1ccc(Cl)cc1 ZINC000205855581 JK Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc(Br)c1 ZINC000205855625 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000205855925 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1c[nH]c2ccccc12 ZINC000205855945 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)c1c[nH]c2ccccc12 ZINC000205855969 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc3ccccc3c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000205855987 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cc(F)c(F)c(F)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000205856038 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2cccc3ccccc23)c1C(=O)c1ccccc1 ZINC000205856098 JK Annotated Anodyne CCOC(=O)[C@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1C1CCCC1 ZINC000205858825 JK Annotated Anodyne CCOC(=O)[C@@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1C1CCCC1 ZINC000205858847 JK Annotated Anodyne CCCCCn1nnnc1[C@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)C(=O)OCC ZINC000205858912 JK Annotated Anodyne CCCCCn1nnnc1[C@@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)C(=O)OCC ZINC000205858935 JK Annotated Anodyne O=c1c(-c2cccc(Br)c2)cc(-n2c(=O)[nH]c3ccccc32)cn1Cc1ccc(F)cc1 ZINC000205859643 JK Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N(CCO)[C@@H](c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000205860945 JK Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N(CCO)[C@H](c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000205860962 JK Annotated Anodyne COc1ccc(C2=C(N3Cc4ccccc4N=C(c4ccco4)C3=O)C(=O)Nc3ccccc3N2)cc1 ZINC000205862745 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)cc3n3cnc(-c4ccccc4)c23)cc(OC)c1OC ZINC000205863571 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000205867995 JK Annotated Mild COC(=O)[C@]12CCC(C)(C)C(=O)C1=C1CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)CC[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205906458 JK Annotated Mild COc1ccc(C(=C2C=CC(=O)C=C2)c2c(C#Cc3ccc(O)cc3)cccc2-c2ccc(O)cc2)cc1 ZINC000205906504 JK Annotated Mild COC(=O)[C@]12CCC(C)(C)C(=O)C1=C1CC[C@@H]3[C@@]4(C)CC(=O)CC[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205906510 JK Annotated Mild COC(=O)[C@]12CCC(C)(C)C(=O)C1=C1CC[C@@H]3[C@@]4(C)CC(=O)C[C@@H](C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205906535 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@]21N=C(N)c2ccc(C#N)cc21 ZINC000205908939 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@@]21N=C(N)c2ccc(C#N)cc21 ZINC000205908956 JK Annotated Mild Cc1ccc([C@H](NC(=O)Cc2ccc(N(CC(=O)O)Cc3c(C)noc3C)cc2)c2ccccc2)cc1 ZINC000205962489 JK Annotated Anodyne Cc1ccc([C@@H](NC(=O)Cc2ccc(N(CC(=O)O)Cc3c(C)noc3C)cc2)c2ccccc2)cc1 ZINC000205962500 JK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(C)C ZINC000205997319 JK Annotated Mild CC1(C)C/C(=C\[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br ZINC000206001349 JK Annotated Reactive Cc1ccc([C@H](NC(=O)Cc2ccc(OC[C@H](O)c3cccnc3C)cc2)c2ccccc2)c(C)c1 ZINC000206012875 JK Annotated Anodyne Cc1ccc([C@@H](NC(=O)Cc2ccc(OC[C@H](O)c3cccnc3C)cc2)c2ccccc2)c(C)c1 ZINC000206012897 JK Annotated Anodyne Cc1ccc([C@H](NC(=O)Cc2ccc(OC[C@@H](O)c3cccnc3C)cc2)c2ccccc2)c(C)c1 ZINC000206012914 JK Annotated Anodyne Cc1ccc([C@@H](NC(=O)Cc2ccc(OC[C@@H](O)c3cccnc3C)cc2)c2ccccc2)c(C)c1 ZINC000206012933 JK Annotated Anodyne O=C(c1cc(F)cc(F)c1)N1[C@H](c2nc3c(OCc4ccc(F)cc4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000206017025 JK Annotated Anodyne COc1ccc(OC)c(CCNc2nc3cnc(-c4cccc(Oc5ccccc5)c4)cc3n2C)c1 ZINC000206017088 JK Annotated Anodyne O=C(NCc1ccccc1)N1[C@H](c2nc3c(OCc4ccccc4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000206017117 JK Annotated Anodyne Cn1c(-c2cccc(C(F)(F)F)c2)cc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc21 ZINC000206018408 JK Annotated Anodyne COc1ccc(OC)c(CCNc2nc3cnc(-c4ccccc4Oc4ccccc4)cc3n2C)c1 ZINC000206019745 JK Annotated Anodyne CNc1nc2cnc(Nc3ccc(C(F)(F)F)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000206020570 JK Annotated Anodyne Cc1c(C)n(Cc2cccc(C(C)(C)C#N)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206021243 JK Annotated Mild COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025192 JK Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(OC(F)(F)F)cc21 ZINC000206032922 JK Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(OC(F)(F)F)cc21 ZINC000206032942 JK Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc21 ZINC000206033242 JK Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc21 ZINC000206033268 JK Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccc(C)o4)Nc4ccc(Cl)cc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035548 JK Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccc(C)o4)Nc4ccc(Cl)cc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035564 JK Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccc(Cl)cc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035692 JK Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccc(Cl)cc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035709 JK Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035776 JK Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035791 JK Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccco4)Nc4c(ccc5ccccc45)[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035860 JK Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccco4)Nc4c(ccc5ccccc45)[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035880 JK Annotated Anodyne O=C(NCc1ccccc1Cl)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206038902 JK Annotated Anodyne O=C(NCc1cccc(Cl)c1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206038971 JK Annotated Anodyne O=C(NCc1ccc(Cl)cc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039008 JK Annotated Anodyne COc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206039037 JK Annotated Anodyne Cc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206039177 JK Annotated Anodyne O=C(NCc1cccs1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039243 JK Annotated Anodyne O=C(NCCc1ccccc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039319 JK Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000206039729 JK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)c(C)c1 ZINC000206040761 JK Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@H](N(Cc3ccccc3)Cc3ccccc3)CC[C@]23CCCN13 ZINC000206041361 JK Annotated Anodyne CCCCc1ccc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2CCC)cc1 ZINC000206041809 JK Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041841 JK Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041897 JK Annotated Anodyne CCC[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1N(Cc1cccs1)Cc1cccs1 ZINC000206042945 JK Annotated Anodyne O=C(Nc1ccccc1Cl)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206043066 JK Annotated Anodyne O=C(Nc1ccccc1Cl)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206043090 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206043442 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206043472 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206043571 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206043597 JK Annotated Anodyne CC(C)c1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@@H]2Cc2ccccc2)cc1 ZINC000206043692 JK Annotated Anodyne CC(C)c1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206043722 JK Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206044077 JK Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206044246 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206045957 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206045987 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000206046023 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000206046049 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000206046073 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000206046165 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000206046184 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000206046204 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000206046241 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000206046265 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000206046288 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccc(OC)cc1)c1ccccc1 ZINC000206046315 JK Annotated Anodyne COC(=O)[C@@](c1cccc(OC)c1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046409 JK Annotated Anodyne COC(=O)[C@@](c1cccc(OC)c1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046433 JK Annotated Anodyne COC(=O)[C@](c1cccc(OC)c1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046460 JK Annotated Anodyne COC(=O)[C@@](/C=C/c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046483 JK Annotated Anodyne COC(=O)[C@@](/C=C/c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046512 JK Annotated Anodyne COC(=O)[C@](/C=C/c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046538 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2c(C)cccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046718 JK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2c(C)cccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046749 JK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2c(C)cccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046778 JK Annotated Anodyne CCOC(=O)[C@](Cc1ccccc1)(Nc1ccccc1OC)[C@H](O)c1ccccc1Br ZINC000206047503 JK Annotated Anodyne CCOC(=O)[C@@](Cc1ccccc1)(Nc1ccccc1OC)[C@H](O)c1ccccc1Br ZINC000206047532 JK Annotated Anodyne CCOC(=O)[C@](Cc1ccccc1)(Nc1ccccc1OC)[C@@H](O)c1ccccc1Br ZINC000206047560 JK Annotated Anodyne CCOC(=O)[C@@](Cc1ccccc1)(Nc1ccccc1OC)[C@@H](O)c1ccccc1Br ZINC000206047587 JK Annotated Anodyne CCCCNC(=O)c1nc2ccc(Br)cc2nc1-c1cccc(Br)c1 ZINC000206051646 JK Annotated Anodyne O=C(c1ccc(F)cc1)N(c1ccccc1F)[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000206052116 JK Annotated Anodyne O=C(c1ccc(F)cc1)N(c1ccccc1F)[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000206052132 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](CCc1ccccc1)N(C(=O)c1ccc(F)cc1)c1ccccc1F ZINC000206052245 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](CCc1ccccc1)N(C(=O)c1ccc(F)cc1)c1ccccc1F ZINC000206052266 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccc1)n1c(-c2ccccc2Br)nc2ccccc21 ZINC000206052320 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccc1)n1c(-c2ccccc2Br)nc2ccccc21 ZINC000206052334 JK Annotated Anodyne COc1cccc(F)c1-c1nc2ccccc2n1[C@@H](C(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000206052362 JK Annotated Anodyne COc1cccc(F)c1-c1nc2ccccc2n1[C@H](C(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000206052388 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3Br)n([C@H](C(=O)NC(C)(C)C)c3ccccc3)c2cc1C ZINC000206053269 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3Br)n([C@@H](C(=O)NC(C)(C)C)c3ccccc3)c2cc1C ZINC000206053293 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@@H](CCc2ccccc2)N(C(=O)c2ccc(F)cc2)c2ccccc21 ZINC000206063301 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@H](CCc2ccccc2)N(C(=O)c2ccc(F)cc2)c2ccccc21 ZINC000206063326 JK Annotated Anodyne COc1cc(Cl)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000206101597 JK Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000206101681 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCC(C)C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103177 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCC(C)C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103205 JK Annotated Anodyne CC(C)CCn1nc2c(c1C(C)C)[C@@H](c1ccc(F)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000206107149 JK Annotated Anodyne CC(C)CCn1nc2c(c1C(C)C)[C@H](c1ccc(F)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000206107174 JK Annotated Anodyne CC(C)CCn1nc2c(c1C(C)C)[C@@H](c1ccc(F)c(F)c1)N(c1cccc(Cl)c1F)C2=O ZINC000206107210 JK Annotated Anodyne CC(C)CCn1nc2c(c1C(C)C)[C@H](c1ccc(F)c(F)c1)N(c1cccc(Cl)c1F)C2=O ZINC000206107241 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(F)cc3Oc3ccccn3)nccc2c1 ZINC000206110586 JK Annotated Anodyne CN1CCN(c2ccc(/C=C3/SC(N(c4ccccc4)c4ccccc4)=NC3=O)cc2)CC1 ZINC000206111251 JK Annotated Clean CC(C)c1c2c(nn1Cc1ncc[nH]1)C(=O)N(c1cccc(Cl)c1F)[C@@H]2c1ccc(Cl)cc1 ZINC000206112655 JK Annotated Anodyne CC(C)c1c2c(nn1Cc1ncc[nH]1)C(=O)N(c1cccc(Cl)c1F)[C@H]2c1ccc(Cl)cc1 ZINC000206112685 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(F)cc3Br)cccc2c1 ZINC000206116560 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(OC(F)(F)F)cc3Cl)cccc2c1 ZINC000206116599 JK Annotated Anodyne CCOc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000206121041 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000206121123 JK Annotated Anodyne C=CCn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206124959 JK Annotated Mild C=CCn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206124989 JK Annotated Mild Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C[C@H](O)CO)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206125029 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C[C@H](O)CO)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206125053 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C[C@@H](O)CO)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206125078 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C[C@@H](O)CO)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206125105 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206127822 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCN(C)C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206129984 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCN(C)C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206130009 JK Annotated Anodyne O=S(=O)(Nc1ncco1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)cccc2c1 ZINC000206131943 JK Annotated Anodyne COCCn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000206134068 JK Annotated Anodyne COCCn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000206134099 JK Annotated Anodyne COCCn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206134282 JK Annotated Anodyne COCCn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206134312 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2c1 ZINC000206137435 JK Annotated Anodyne CNC(=O)Cn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000206139732 JK Annotated Anodyne CNC(=O)Cn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000206139760 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCC(C)C)c2C2CC2)C(=O)N1c1cccc(Cl)c1F ZINC000206139795 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCC(C)C)c2C2CC2)C(=O)N1c1cccc(Cl)c1F ZINC000206139822 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCCO)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206139855 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCCO)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206139881 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C[C@@H]3CCCO3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206139917 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C[C@@H]3CCCO3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206139941 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C[C@H]3CCCO3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206139969 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C[C@H]3CCCO3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206139992 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2c1 ZINC000206142799 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)c(Cl)c3)nccc2c1 ZINC000206142826 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC(C)(C)O)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206144947 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC(C)(C)O)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206144976 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCO)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206155960 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCO)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206155991 JK Annotated Anodyne CC(C)c1c2c(nn1CCO)C(=O)N(c1cccc(Cl)c1F)[C@@H]2c1ccc(Cl)cc1Cl ZINC000206156028 JK Annotated Anodyne CC(C)c1c2c(nn1CCO)C(=O)N(c1cccc(Cl)c1F)[C@H]2c1ccc(Cl)cc1Cl ZINC000206156056 JK Annotated Anodyne CC(C)c1c2c(nn1CCO)C(=O)N(c1cccc(Cl)c1F)[C@@H]2c1ccc(Cl)c(F)c1 ZINC000206160931 JK Annotated Anodyne CC(C)c1c2c(nn1CCO)C(=O)N(c1cccc(Cl)c1F)[C@H]2c1ccc(Cl)c(F)c1 ZINC000206160965 JK Annotated Anodyne CC(C)c1c2c(nn1-c1ccncc1)C(=O)N(c1cccc(Cl)c1F)[C@@H]2c1ccc(Cl)cc1 ZINC000206161086 JK Annotated Anodyne CC(C)c1c2c(nn1-c1ccncc1)C(=O)N(c1cccc(Cl)c1F)[C@H]2c1ccc(Cl)cc1 ZINC000206161116 JK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(C)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000206161236 JK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(C)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000206161266 JK Annotated Anodyne CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Br)ccc21 ZINC000206174500 JK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(Br)cc21 ZINC000206174622 JK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccc(Br)c21 ZINC000206174755 JK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2c(Br)cccc21 ZINC000206174883 JK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1c(B2OC(C)(C)C(C)(C)O2)cc2cc(Br)ccc21 ZINC000206175894 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H](O)[C@@](C)(O)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000206209418 JK Annotated Anodyne COc1ccc(NC(=S)Nc2ccc3c(c2)c(=O)n(C)n3-c2ccc(C(C)(C)C)cc2)cc1 ZINC000206394796 JK Annotated Anodyne COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@H](c2ccccc2)N(C)C)cc1C ZINC000206535133 JK Annotated Reactive COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](c2ccccc2)N(C)C)cc1C ZINC000206535210 JK Annotated Reactive Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4cc(-c5ccsc5)nc34)cc2)cc1 ZINC000206585383 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2nccn3cc(-c4ccccc4Oc4ccccc4)nc23)cc1 ZINC000206594246 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)cc1 ZINC000206594430 JK Annotated Anodyne CC(C)=C1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@@H]1CCCO ZINC000206677000 JK Annotated Anodyne CCc1nnn2c1Cn1c(nc(-c3ccccc3)c1-c1ccccc1)-c1cc(Br)ccc1-2 ZINC000206733719 JK Annotated Anodyne Cc1c(C(=O)N[C@H](C)c2ccccc2)c2cc(O)c(Br)cc2n1C1CCCCC1 ZINC000206795125 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@@H](C)C(C)(C)C)c2c1 ZINC000206814374 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@@H](C)C(C)(C)C)c2c1 ZINC000206814419 JK Annotated Anodyne CSc1cccc(Nc2nc3ccc(S(=O)(=O)N[C@H](C)C(C)C)cc3n2[C@@H](C)C(C)(C)C)c1 ZINC000206814467 JK Annotated Anodyne CSc1cccc(Nc2nc3ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc3n2[C@@H](C)C(C)(C)C)c1 ZINC000206814509 JK Annotated Anodyne CC(C)C[C@@H](Nc1ccc(C#N)c2ccccc12)C(=O)NC(C)(C)C12CC3CC(CC(C3)C1)C2 ZINC000206817225 JK Annotated Mild CC(C)(CC1CCCCC1)NC(=O)[C@@H](CC1CCCCC1)Nc1ccc(C#N)c2ccccc12 ZINC000206817529 JK Annotated Mild N#Cc1ccc(N[C@H](CC2CCCCC2)C(=O)N[C@H]2CCCc3ccccc32)c2ccccc12 ZINC000206817568 JK Annotated Mild CC(=O)OCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(/C=C/C#N)cc1C ZINC000206825664 JK Annotated Reactive CC1(C)CN(CCC2CCC(NC(=O)/C=C\c3ccccc3F)CC2)Cc2ccc(C#N)cc21 ZINC000206858976 JK Annotated Mild CC1(C)CN(CCC2CCC(NC(=O)/C=C\c3ccc(F)cc3F)CC2)Cc2ccc(C#N)cc21 ZINC000206859040 JK Annotated Mild N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)/C=C\c3c[nH]c4ccc(F)cc34)CC1)CC2 ZINC000206865059 JK Annotated Mild Cc1cc2ccc(/C=C\C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)cc2[nH]1 ZINC000206865134 JK Annotated Mild Cc1ccc2[nH]cc(/C=C\C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)c2c1 ZINC000206865858 JK Annotated Mild O=C(c1ccc(F)c2ccccc12)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877015 JK Annotated Anodyne O=C(/C=C\c1ccc(C(F)(F)F)cc1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877141 JK Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877188 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1Cl)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877687 JK Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877757 JK Annotated Anodyne CC[C@H]1CN(Cc2ccccc2Br)CC[C@@H]1CCCc1ccnc2ccc(O)cc12 ZINC000206887740 JK Annotated Anodyne COc1ccc(NC(=O)/C=C\c2cc(Br)ccc2F)cc1OCCN(C(C)C)C(C)C ZINC000206895179 JK Annotated Anodyne O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000206901086 JK Annotated Anodyne CCCCN(CCCC)CCOc1cc2c(cc1OC)CCN2C(=O)/C=C\c1ccccc1Cl ZINC000206915662 JK Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)/C=C\c3ccccc3C)cc2)nc1 ZINC000206920386 JK Annotated Anodyne CC(=O)OCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(CCC#N)cc1C ZINC000206928690 JK Annotated Mild COc1ccc([C@@H]2C=CCN(Cc3ccc(N(C)C)cc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000206955624 JK Annotated Clean COc1ccc([C@H]2C=CCN(Cc3ccc(N(C)C)cc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000206955664 JK Annotated Clean CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4ccc(Cl)cc4)C(=O)O[C@@H]3[C@H]21 ZINC000206972288 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4ccc(F)cc4)C(=O)O[C@@H]3[C@H]21 ZINC000206972348 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4ccccc4F)C(=O)O[C@@H]3[C@H]21 ZINC000206972414 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C\c4cccc(F)c4)C(=O)O[C@@H]3[C@H]21 ZINC000206972473 JK Annotated Reactive CC1=C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@]34O[C@@H]4[C@@]12O ZINC000206979104 JK Annotated Anodyne CCc1ccc(/C=C2/C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O[Si](CC)(CC)CC)[C@@H]23)cc1 ZINC000206984792 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4ccc(Cl)cc4)C(=O)O[C@@H]3[C@H]21 ZINC000206984837 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4ccc(F)cc4)C(=O)O[C@@H]3[C@H]21 ZINC000206984882 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4ccccc4F)C(=O)O[C@@H]3[C@H]21 ZINC000206984929 JK Annotated Reactive CC[Si](CC)(CC)O[C@]1(C)CCC2=C(C)CC[C@H]3/C(=C/c4cccc(F)c4)C(=O)O[C@@H]3[C@H]21 ZINC000206984974 JK Annotated Reactive CCc1ccc(/C=C2\C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O[Si](CC)(CC)CC)[C@@H]23)cc1 ZINC000206985014 JK Annotated Reactive Oc1ccc([C@H]2Oc3cc(-c4cc5ccc(O)cc5o4)cc(O)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000207093895 JK Annotated Anodyne CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000207152220 JK Annotated Anodyne CCO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1N ZINC000207166588 JK Annotated Anodyne CCO[C@H]1[C@@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1C ZINC000207166655 JK Annotated Anodyne CCO[C@H]1[C@@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1C ZINC000207182041 JK Annotated Anodyne CCO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000207182086 JK Annotated Anodyne CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1nc2ccccc2s1 ZINC000207191668 JK Annotated Anodyne Cc1c2c(c(O)c3c1[C@]1(C)Oc4c5c(c(C)c6c(C)coc46)[C@@H](C)C[C@H](O)[C@@H]5[C@@H]1O3)CCC[C@@H]2C ZINC000207328051 JK Annotated Anodyne CCCCCCCCCCCCn1c(-c2ccc(C)cc2C)cs/c1=N\C(=O)c1ccccc1 ZINC000207424840 JK Annotated Mild C=C(C)[C@@H]1C[C@H](O)[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000207504751 JK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@]1(C)CC[C@@]3(C)[C@@H]4CCC(=O)[C@H](C)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]1(C)CC2 ZINC000207611825 JK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000207624561 JK Annotated Anodyne CCN(CC)C(=S)SCC(CSC(=S)N(CC)CC)C(=O)c1cnc2ccccc2c1 ZINC000207754280 JK Annotated Anodyne O=C(c1cnc2ccccc2c1)C(CSC(=S)N1CCCC1)CSC(=S)N1CCCC1 ZINC000207758559 JK Annotated Anodyne Cc1ccc2c(C)c(O)c(O)cc2c1CC[C@]12OC(=O)[C@]3(C)CC[C@](C)(CCC1(C)C)[C@H]2C3 ZINC000207780979 JK Annotated Clean C=C1CC[C@@H](Cc2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000207871458 JK Annotated Mild Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(F)cc3)C(C(=O)O)=CC[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000207938332 JK Annotated Anodyne Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCN(C(=O)OC(C)(C)C)C2 ZINC000208086040 JK Annotated Anodyne Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000208126771 JK Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(-n3c(/C=C/S(C)(=O)=O)cc4ccccc43)nc12 ZINC000208161738 JK Annotated Anodyne C[C@]12CC[C@H](COC(=O)c3ccccc3)[C@@](C)(CCc3ccoc3)[C@@H]1CC(=O)C=C2C(=O)O ZINC000208339728 JK Annotated Mild Cc1ccc2c(CC(=O)O)cn(-c3ccc(C(F)(F)F)cc3Cc3c(C)noc3C3CC3)c2n1 ZINC000208704367 JK Annotated Anodyne Cc1ccn2c(CC(=O)O)cc(-c3ccc(C(F)(F)F)cc3Cc3c(C)noc3C3CC3)c2n1 ZINC000208706247 JK Annotated Anodyne Cc1ccc2c(CC(=O)O)cc(-c3ccc(C(F)(F)F)cc3Cc3c(C)noc3C3CC3)n2n1 ZINC000208719443 JK Annotated Anodyne Cc1ccc2c(CC(=O)O)cn(-c3ccc(C(F)(F)F)cc3Cc3c(C4CC4)noc3C3CC3)c2n1 ZINC000208721239 JK Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)O)c2ccc(C(F)F)nc21)C(=O)C1CC1 ZINC000208732930 JK Annotated Anodyne C/C(=C/CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000208877268 JK Annotated Anodyne C/C(=C/CC/C=C(/C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000208877305 JK Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@H](C)C2 ZINC000208886826 JK Annotated Anodyne C/C(=C/Cc1c(O)c2c(c3cc(-c4cc(O)cc(O)c4)oc13)C=CC(C)(C)O2)CCCC(C)(C)O ZINC000209349264 JK Annotated Anodyne Cc1ccc2c(c1C#Cc1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(O)ccc1-2 ZINC000209463736 JK Annotated Mild Oc1ccc(C#Cc2cccc3c2C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cc(O)ccc2-3)cc1 ZINC000209463780 JK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)c4c5cc(O)ccc5c5oc6cc(O)cc(c6c5c34)[C@H]2O)cc1 ZINC000209649749 JK Annotated Bother Cc1ccc([C@@H]2C(C(=O)O)=CC[C@H](c3ccc(C(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000209864441 JK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=CC[C@H](c3ccc(C(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000209864477 JK Annotated Anodyne Cc1ccc([C@@H]2C(C(=O)O)=CC[C@@H](c3ccc(C(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000209864512 JK Annotated Anodyne Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000209909015 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000209982105 JK Annotated Anodyne CCc1nnn2c1Cn1c(nc(-c3ccccc3)c1-c1ccccc1)-c1ccc(C(=O)OC)cc1-2 ZINC000209983614 JK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1Nc1nc2c(s1)CCCCc1nc(NC(=O)C(C)(C)C)sc1-2 ZINC000209984155 JK Annotated Bother CN(C)c1cccc(Nc2nc3c(s2)CCCCc2nc(NC(=O)C(C)(C)C)sc2-3)c1 ZINC000209984191 JK Annotated Anodyne O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc21 ZINC000021365704 JK Annotated Anodyne O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc21 ZINC000021365710 JK Annotated Anodyne COc1ccc(CNc2nc(-c3ccc(OC)cc3)c(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000210760480 JK Annotated Bother COc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3ccc3cc(O)ccc34)c(O)cc1CC2 ZINC000210791998 JK Annotated Bother O=C1C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000211061418 JK Annotated Anodyne O=C1C[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000211061754 JK Annotated Anodyne COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(C(=O)c4ccc(Cl)cc4)[C@H]4CCC[C@@H]2[C@@H]43)cc1 ZINC000211062695 JK Annotated Anodyne CCCCCC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(c4c(C)cccc4O)OC=C3[C@H]12 ZINC000211216054 JK Annotated Mild Cc1ccc([C@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000211306440 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000211306511 JK Annotated Anodyne Cc1ccc([C@H]2CC=C(C(=O)O)[C@@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000211306567 JK Annotated Anodyne COc1cc(OC)c2c(c1)[C@H]([C@H](O)/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]3C(C)(C)CCC[C@@]13C)CCC2=O ZINC000211321981 JK Annotated Anodyne CNC(=O)c1c(N(C)C=O)ncn1C/C=C(/C)CC/C=C(/C)CCC/C(C)=C/C(=O)CC(C)C ZINC000211337718 JK Annotated Mild CNC(=O)c1c(N(C)C=O)ncn1C/C=C(/C)CC/C=C(/C)CCC/C(C)=C\C(=O)CC(C)C ZINC000211337782 JK Annotated Mild CNC(=O)c1c(N(C)C=O)ncn1C/C=C(/C)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000211337848 JK Annotated Mild CNC(=O)c1c(N(C)C=O)ncn1C/C=C(/C)CC/C=C(\C)CCC/C(C)=C\C(=O)CC(C)C ZINC000211337904 JK Annotated Mild C=CCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000211442584 JK Annotated Reactive CC(C)=CCC[C@@]1(C)Oc2c(c(O)c(CC=C(C)C)c(O)c2C(=O)c2ccccc2)C[C@@H]1O ZINC000211515490 JK Annotated Anodyne C#CCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000211568190 JK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]32C)C1(C)C ZINC000211652229 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@H]2O[C@]23C=CC(=O)OC(C)(C)[C@@H]3CC4)OC1=O ZINC000211909817 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OCc1ccc2c(c1)C=C/C(=C/Cl)CO2 ZINC000211924407 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000212005095 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000212005165 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000212005223 JK Annotated Mild O=C(O)c1ccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)cn1 ZINC000212229357 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000212313429 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000212313495 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@H]2[C@@]1(C)CCC(=O)OC ZINC000212456582 JK Annotated Mild C[C@@H]1CN(C)CC[C@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000212538518 JK Annotated Anodyne C[C@@H]1CN(C)CC[C@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000212620688 JK Annotated Anodyne in-vitro C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=C1\NC(=O)[C@@H](C)NC1=O ZINC000212661513 JK Annotated Mild Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 ZINC000213648704 JK Annotated Anodyne CNCCc1c(/C=C/[C@]2(C)C[C@@H](C=C(C)C)c3c(CCNC)c4ccccc4n32)[nH]c2ccccc12 ZINC000213838535 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@@H](OCC(C)C)[C@H](C)[C@@H](C)C2 ZINC000214026921 JK Annotated Anodyne C=CCc1ccc(OC[C@H]2c3cc(CC=C)cc(OC)c3O[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000214153180 JK Annotated Mild O=C(O)CCC[C@H](/C=C\c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000214346903 JK Annotated Anodyne O=C(O)CCC[C@@H](/C=C\c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000214346972 JK Annotated Anodyne C=CCc1ccc(O[C@H]2Cc3cc(CC=C)cc(OC)c3O[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 ZINC000214375462 JK Annotated Mild CCC/C=C\CCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000214455409 JK Annotated Anodyne C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO[Si](C)(C)C(C)(C)C)C1)[C@H]2C(=C)C3=O ZINC000214541035 JK Annotated Reactive COc1cc2c(c(OC)c1OC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)Cl)CNC2=O ZINC000214678313 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@@H]1CCC[C@@H](CN(C)C)C1 ZINC000214999891 JK Annotated Anodyne O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)oc2ccccc12)c1cccs1 ZINC000021880686 JK Annotated Anodyne O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)oc2ccccc12)c1cccs1 ZINC000021880688 JK Annotated Anodyne C/C(=C/CC/C=C(\C)CC/C=C(\C)[C@H](O)C[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000215225021 JK Annotated Anodyne C/C(=C/CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)[C@H](O)C[C@H](O)C(C)(C)O ZINC000215225069 JK Annotated Anodyne C/C(=C/CC/C=C(/C)CC/C=C(\C)[C@H](O)C[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000215225115 JK Annotated Anodyne CC1=C(C)C(=O)[C@@]2(C)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC[C@@]2(O)C1=O ZINC000215260910 JK Annotated Mild CCCCCCCCCCCCCCCCCC[C@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC ZINC000215305317 JK Annotated Mild Fc1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccc(Cl)cc4[nH]3)n2)cc1 ZINC000215311638 JK Annotated Anodyne CC(C)=CCC/C(C)=C\Cc1c(O)c(CC=C(C)C)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O ZINC000215318602 JK Annotated Anodyne FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)c1 ZINC000215319932 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC ZINC000215428068 JK Annotated Mild O=C(CCCCN1[C@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1 ZINC000215455248 JK Annotated Anodyne Cn1nccc1-c1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215493360 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3-c3ccncc3)cccc2c1 ZINC000215493441 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)cccc2c1 ZINC000215493517 JK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-n3ccnc3)cccc2c1 ZINC000215502327 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215502796 JK Annotated Anodyne COc1cc(-c2cccc(C#N)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215502864 JK Annotated Mild COc1cc(C(F)(F)F)ccc1-c1nc(Cl)cc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215503623 JK Annotated Anodyne COc1cc2cc(S(=O)(=O)Nc3nccs3)ccc2c(-c2ccc(C(F)(F)F)cc2OC)n1 ZINC000215503755 JK Annotated Anodyne CNc1cc2cc(S(=O)(=O)Nc3nccs3)ccc2c(-c2ccc(C(F)(F)F)cc2OC)n1 ZINC000215503822 JK Annotated Anodyne COC(=N)c1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215503958 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3F)nccc2c1 ZINC000215504170 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)cc(C)c12 ZINC000215507314 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cncc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215507524 JK Annotated Anodyne COc1ccc(-c2cccc(F)c2)cc1-c1ccnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215509458 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)c(OC)cc12 ZINC000215510521 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2c(C)c(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215510854 JK Annotated Anodyne COc1cc(-c2ccc(F)cc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215512993 JK Annotated Anodyne Cc1cc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215513406 JK Annotated Anodyne COc1cc(CC(C)(C)C)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215513473 JK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3nnco3)ccc12 ZINC000215514681 JK Annotated Anodyne COc1cc(-c2ccccc2C)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215518222 JK Annotated Anodyne COc1cc(C(F)F)c(OC)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215518294 JK Annotated Anodyne COc1cc(C(F)F)c(C2CC2)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215518700 JK Annotated Anodyne COc1cc(C(F)F)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215518770 JK Annotated Anodyne COc1cc(-c2ccc(C)o2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215518911 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(OC)c1 ZINC000215519108 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cscn3)ccc12 ZINC000215519646 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)ncnc2c1 ZINC000215524690 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1C[C@@H](Sc1ccc(Br)cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000215529642 JK Annotated Anodyne CN(C)CC1CCN(c2c(C(=O)C3CC3)cnc3ccc(-c4ccc(O)c(Cl)c4)cc23)CC1 ZINC000215726075 JK Annotated Anodyne CN(C)CC1CCN(c2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000215726142 JK Annotated Anodyne C[C@@H](C1CCN(c2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(F)c4)cc23)CC1)N(C)C ZINC000215726212 JK Annotated Anodyne C[C@H](C1CCN(c2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(F)c4)cc23)CC1)N(C)C ZINC000215726261 JK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC([C@H](C)N(C)C)CC4)c3c2)ccc1O ZINC000215726333 JK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC([C@@H](C)N(C)C)CC4)c3c2)ccc1O ZINC000215726377 JK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NCC4CCN(C)CC4)c3c2)cc(Cl)c1O ZINC000215726461 JK Annotated Anodyne COc1cc(-c2ccc3ncc(C(C)=O)c(N4CCC(CN5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000215727094 JK Annotated Anodyne CCC(CC)n1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2C(CC)CC)nc2ccccc21 ZINC000215806931 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(C)(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc3o2)CC1 ZINC000215832927 JK Annotated Anodyne Cc1ccc(-c2nnc3n2C[C@H]2CCC[C@@H]3N2C(=O)c2ccnc(C(F)(F)F)c2Cl)s1 ZINC000215890177 JK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(F)cc4o3)nc2s1 ZINC000216138657 JK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1 ZINC000216139307 JK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cccc4o3)nc2s1 ZINC000216139431 JK Annotated Anodyne COc1cc(OCc2csc(-c3ccccc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000216139635 JK Annotated Anodyne CCCCCC12CCC(COc3cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc3Cl)(CC1)CC2 ZINC000216202014 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cccc(OC(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217031457 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc5[nH]ccc5c4)ccc3C)cnc2[nH]1 ZINC000217031684 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)Cc4cccc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217119675 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217119753 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cccc(Br)c4)ccc3C)cnc2[nH]1 ZINC000217123219 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(O)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217123236 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217125735 JK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cccc(C(C)C)c4)ccc3C)cnc2[nH]1 ZINC000217125807 JK Annotated Anodyne O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000217360287 JK Annotated Anodyne O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl ZINC000217361217 JK Annotated Anodyne Cc1ccc(C(F)(F)F)cc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 ZINC000217363138 JK Annotated Mild Cc1c(Br)cccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 ZINC000217363249 JK Annotated Anodyne O=C(NC[C@@H](CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl ZINC000217365096 JK Annotated Anodyne O=C(NC[C@H](CC1(C(F)(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl ZINC000217365175 JK Annotated Anodyne O=C(NC[C@@H](CC1(C(F)F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217365843 JK Annotated Anodyne O=C(NC[C@H](CC1(C(F)F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217365916 JK Annotated Anodyne CC(C)(O)c1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 ZINC000217367615 JK Annotated Anodyne O=C(NCC1(c2cnc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl ZINC000217372669 JK Annotated Anodyne O=C(NC[C@@H](CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl ZINC000217375238 JK Annotated Anodyne O=C(NC[C@H](CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl ZINC000217375302 JK Annotated Anodyne O=C(NC[C@@H](CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217375596 JK Annotated Mild O=C(NC[C@H](CC1(C(F)(F)F)CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217375679 JK Annotated Mild O=C(NC[C@@H](CC1(C(F)(F)F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217375782 JK Annotated Mild O=C(NC[C@H](CC1(C(F)(F)F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217375857 JK Annotated Mild O=C(NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217376902 JK Annotated Anodyne O=C(NC[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217376999 JK Annotated Anodyne O=C(NC[C@@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217378817 JK Annotated Anodyne O=C(NC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217378904 JK Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1cccc(Cl)c1Cl ZINC000217380168 JK Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1cccc(Cl)c1Cl ZINC000217380242 JK Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1c(F)cccc1Cl ZINC000217380354 JK Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1c(F)cccc1Cl ZINC000217380427 JK Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1cccc(F)c1Cl ZINC000217380539 JK Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1cccc(F)c1Cl ZINC000217380616 JK Annotated Anodyne C[C@H](NC(=O)c1cccc(Cl)c1Cl)C1(c2ccc(Br)nc2)CCC(F)(F)CC1 ZINC000217382785 JK Annotated Anodyne C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C1(c2ccc(Br)nc2)CCC(F)(F)CC1 ZINC000217382856 JK Annotated Anodyne O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(F)c1Cl ZINC000217383425 JK Annotated Anodyne O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1F ZINC000217383536 JK Annotated Anodyne CCC/C=C\CCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000217502352 JK Annotated Anodyne Cc1c(CCC(=O)O)ccc(OCc2c(-c3ccc(Cl)cc3)nsc2C(F)(F)F)c1C ZINC000217586256 JK Annotated Anodyne O=S(=O)(N[C@H]1CCCC(=C2c3ccccc3CCc3ccccc32)C1)c1ccc(Cl)cc1 ZINC000218266377 JK Annotated Clean O=S(=O)(N[C@@H]1CCCC(=C2c3ccccc3CCc3ccccc32)C1)c1ccc(Cl)cc1 ZINC000218266464 JK Annotated Clean O=S(=O)(NC1CCC(=C2c3ccccc3CCc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000218266622 JK Annotated Clean CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000218440690 JK Annotated Anodyne O=C(COc1ccc2ccccc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000218481271 JK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(CO)cc2Cl)cn1 ZINC000218494076 JK Annotated Anodyne O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2cscn2)cc1 ZINC000218842120 JK Annotated Anodyne O=C(Cc1ccc(NC(=O)c2cscn2)nc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000218844107 JK Annotated Anodyne N/C(=N\N=C\c1ccc(SC(F)(F)F)cc1)N/N=C/c1ccc(SC(F)(F)F)cc1 ZINC000219151087 JK Annotated Mild O=C(Nc1ccccc1)c1csc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000219245887 JK Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1 ZINC000219327044 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(CN(C)C)CC4)c3c2)cc1 ZINC000219358068 JK Annotated Anodyne CN(C)Cc1ccc(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)cc1 ZINC000219359990 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](CN(C)C)C1 ZINC000219361083 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@@H]1CCCN(CCN(C)C)C1 ZINC000219363734 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CCCN(CCN(C)C)C1 ZINC000219363809 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCN(CCN(C)C)CC1 ZINC000219378097 JK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(F)ccc1Cl ZINC000219593345 JK Annotated Anodyne COc1cccc(Cl)c1-c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C(=O)O ZINC000219596714 JK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cncc(Cl)c1 ZINC000219597219 JK Annotated Anodyne N#Cc1cccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)n1 ZINC000219597410 JK Annotated Mild N#Cc1ccccc1-c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C(=O)O ZINC000219597632 JK Annotated Mild N#Cc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)cc1Cl ZINC000219597716 JK Annotated Mild N#Cc1cc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)ccc1Cl ZINC000219597812 JK Annotated Mild CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](CN(C)C)C1 ZINC000219597833 JK Annotated Anodyne CC(=O)c1sccc1-c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C(=O)O ZINC000219598181 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)cc1 ZINC000219598296 JK Annotated Anodyne Cc1ccc(C=O)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1 ZINC000219598386 JK Annotated Anodyne O=Cc1ccccc1-c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C(=O)O ZINC000219598499 JK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(F)cc1F ZINC000219599179 JK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(F)cc(F)c1F ZINC000219599298 JK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(F)cc1Cl ZINC000219599409 JK Annotated Anodyne Cc1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1F ZINC000219599927 JK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccsc1Cl ZINC000219600332 JK Annotated Anodyne COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(OC)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000219628846 JK Annotated Anodyne Cc1cc(Br)cc(C)c1Oc1nc(Nc2ccc([N+](=O)[O-])cc2)cn2ccnc12 ZINC000219678637 JK Annotated Bother O=C(Cc1ccc(NC(=O)c2cscn2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000219680764 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc(Br)cc1)c1nsnc21 ZINC000219722036 JK Annotated Clean COc1ccc(C(=O)N2CCC3(CC2)Nc2cc(C(F)(F)F)ccc2-n2cccc23)cc1N(C)C ZINC000219745244 JK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c(Cl)c1 ZINC000219757123 JK Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(N4CCCCC4)nc3)c2cn1)c1ccc(F)cc1 ZINC000219758298 JK Annotated Anodyne Brc1ccccc1Cn1cc(CSc2ncncc2-c2cccc3ccccc23)nn1 ZINC000219766747 JK Annotated Anodyne O=C(Nc1ccc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]2)cc1)c1cscn1 ZINC000219792261 JK Annotated Anodyne CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CO)C(=O)c2ccccc2C1=O ZINC000219946670 JK Annotated Mild in-vitro CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO)C(=O)c2ccccc2C1=O ZINC000219946734 JK Annotated Mild in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219949250 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219951530 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219951668 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219956764 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O ZINC000219956838 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219956914 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O ZINC000219956983 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958917 JK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960942 JK Annotated Anodyne in-vitro O=c1c2c(Cl)cccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1-c1ccccc1 ZINC000022200144 JK Annotated Anodyne CC(C)(Nc1ccc(Cl)cc1)c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000022203845 JK Annotated Anodyne CC(C)(Nc1ccc(Cl)cc1)c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000022203848 JK Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C[C@@]3(CC[C@@]2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000022347380 JK Annotated Anodyne Cc1ccc(C(=O)[C@H]2C[C@@]3(CC[C@@]2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000022347385 JK Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C[C@]3(CC[C@@]2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000022347388 JK Annotated Anodyne Cc1ccc(C(=O)[C@H]2C[C@]3(CC[C@@]2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000022347393 JK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000022358264 JK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000022358267 JK Annotated Anodyne NCCN(CCNC1CCCCCCCCCCC1)CCNC1CCCCCCCCCCC1 ZINC000022443098 JK Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3cccc(F)c3)c2)C[C@H]1C ZINC000022444780 JK Annotated Mild C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(OC)cc3)c2)C[C@H]1C ZINC000022444805 JK Annotated Mild C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3F)c2)C[C@H]1C ZINC000022444810 JK Annotated Mild C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCCCCN=C=S ZINC000022450576 JK Annotated Reactive C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 ZINC000022452345 JK Annotated Anodyne Cc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000022454648 JK Annotated Clean Fc1cc(Br)cc([C@H]2C[C@@H](c3cccc(Br)c3)N3NN=NC3=N2)c1 ZINC000220090880 JK Annotated Anodyne Fc1cc(Br)cc([C@H]2C[C@H](c3cccc(Br)c3)N3NN=NC3=N2)c1 ZINC000220090960 JK Annotated Anodyne Fc1cc(Br)cc([C@@H]2C[C@@H](c3cccc(Br)c3)N3NN=NC3=N2)c1 ZINC000220091037 JK Annotated Anodyne Cc1ccc(F)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1Cl ZINC000220156120 JK Annotated Anodyne COc1c(-c2c3c(c4ccccc4c2OC)OC(C)(C)C=C3)c2c(c3ccccc13)OC(C)(C)C=C2 ZINC000220159285 JK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(Nc5nc(N)ccc5Cl)ccc4Cl)ccnc3[nH]2)CC1 ZINC000220249712 JK Annotated Anodyne COC(=O)N1CCC[C@H](c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)C1 ZINC000220365621 JK Annotated Anodyne COC(=O)N1CCC[C@@H](c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)C1 ZINC000220365695 JK Annotated Anodyne Clc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1 ZINC000220427761 JK Annotated Anodyne Fc1ccc(F)c(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 ZINC000220427861 JK Annotated Anodyne Fc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1F ZINC000220428147 JK Annotated Anodyne N#Cc1[nH]c2ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc2c1F ZINC000220642006 JK Annotated Anodyne COC(=O)C[C@@H]1N=C(c2ccc(-c3ccc(OC)cc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000221026539 JK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3ccc(F)c(Cl)c3)cn2)n1 ZINC000221128520 JK Annotated Anodyne CC(C)[C@H]1[C@@H](C)OC(=O)N1c1ccnc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)n1 ZINC000221132638 JK Annotated Anodyne CC(C)[C@H]1[C@H](C)OC(=O)N1c1ccnc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)n1 ZINC000221132694 JK Annotated Anodyne COc1ncccc1CNc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1 ZINC000221208099 JK Annotated Anodyne COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)ccc2c1Br ZINC000221303555 JK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)n1 ZINC000221304990 JK Annotated Anodyne COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@]4(C)c4ccccc4)n3)ccc2c1 ZINC000221306689 JK Annotated Anodyne CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)C[C@@H](c4c(C)noc4C)SC(N)=N3)s2)c1 ZINC000221393559 JK Annotated Mild c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5o4)cn3)[nH]c2cc1C1=NCCCN1 ZINC000221506698 JK Annotated Anodyne CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000221556653 JK Annotated Anodyne in-vitro CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000221556707 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000221588744 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000221588798 JK Annotated Anodyne O=S(=O)(Oc1cccc2ccccc12)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000221661182 JK Annotated Anodyne in-vitro CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)nn2-c2ccc(C(N)=O)cc2)cc(C(C)(C)C)c1 ZINC000221664801 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1ccc(Br)cc1-2 ZINC000221681698 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1ccc(Br)cc1-2 ZINC000221681761 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(OC)cc1)Oc1ccc(Br)cc1-2 ZINC000221681848 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(OC)cc1)Oc1ccc(Br)cc1-2 ZINC000221681895 JK Annotated Anodyne C[C@H]1CCCN(COC(=O)c2ccc3oc4ccc(C(=O)OCN5CCC[C@H](C)C5)cc4c3c2)C1 ZINC000221704734 JK Annotated Anodyne CC(C)=CC[C@H]1C(=O)C[C@H]2[C@@H]1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]2C ZINC000221738421 JK Annotated Reactive CC(C)=CC[C@@H]1C(=O)C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@@H]12 ZINC000221738660 JK Annotated Reactive Cc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000221753836 JK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccncc5)n4)cc32)c(C)c1CCC(=O)O ZINC000221763898 JK Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221765250 JK Annotated Anodyne O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000221766229 JK Annotated Clean CCOC(=O)c1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c2c1CCCC2 ZINC000221766891 JK Annotated Anodyne O=C1Nc2ccc(-c3csc(-c4ccccc4)n3)cc2/C1=C/c1ccc(N2CCNCC2)cc1 ZINC000221767118 JK Annotated Clean O=C1Nc2ccc(-c3csc(-c4ccccc4)n3)cc2/C1=C/c1[nH]c(C(=O)O)c2c1CCCC2 ZINC000221770142 JK Annotated Anodyne CCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]1 ZINC000221770374 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221782669 JK Annotated Anodyne N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(F)cc2[nH]1 ZINC000221797164 JK Annotated Anodyne Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@H](C(=O)Nc1ccccc1)CS2 ZINC000221840718 JK Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221899935 JK Annotated Anodyne O=C(Nc1ccccc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221899993 JK Annotated Anodyne CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1Br ZINC000221908570 JK Annotated Anodyne CCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221911980 JK Annotated Anodyne CCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221912298 JK Annotated Anodyne CC(C)Oc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221913089 JK Annotated Anodyne O=C(c1cc(F)cc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1)N1CCOCC1 ZINC000221914759 JK Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000221915468 JK Annotated Anodyne O=C(Nc1ccccc1F)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221915542 JK Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)cc1 ZINC000221915616 JK Annotated Anodyne CCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F ZINC000221917777 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221929798 JK Annotated Anodyne O=C(Nc1cccnc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221929947 JK Annotated Anodyne O=C(Nc1ccncc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221930019 JK Annotated Anodyne O=C(Nc1nccs1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221930105 JK Annotated Anodyne CCNc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221930530 JK Annotated Anodyne O=C(c1ccc(F)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1)N1CCCC1 ZINC000221932021 JK Annotated Anodyne CCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1OC ZINC000221939413 JK Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221947000 JK Annotated Anodyne COc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000221962478 JK Annotated Anodyne O=C(Nc1cccc(F)c1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221962559 JK Annotated Anodyne O=C(Nc1ccccn1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221962638 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221962724 JK Annotated Anodyne CN(C(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)c1ccccc1 ZINC000221980408 JK Annotated Anodyne Cc1cccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000221980469 JK Annotated Anodyne CCc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000221980553 JK Annotated Anodyne C=C1C/C(C)=C/CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2-c2ccc(OC)c(OC)c21 ZINC000221985557 JK Annotated Unstable CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4[C@@H](O)C[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000222267837 JK Annotated Anodyne CCCCCCCCCCCCC[C@H](Cc1cc(O)cc(OC)c1OC(C)=O)OC(C)=O ZINC000222394822 JK Annotated Mild C[C@H](Nc1c(-c2c(F)cc(OCCCCl)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000222758424 JK Annotated Reactive CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000222886167 JK Annotated Anodyne in-vitro CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000222886237 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1cc(Sc1cc(Cl)c(Cl)cc1Cl)c1nsnc21 ZINC000222929144 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1cc(Sc1cccc(Br)c1)c1nsnc21 ZINC000222936344 JK Annotated Clean CC(F)(F)c1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)nccc4o3)nc2s1 ZINC000223015432 JK Annotated Anodyne COc1cc(OCc2csc(-c3ccncc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223023091 JK Annotated Anodyne COc1cc(OCc2csc(Br)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223023259 JK Annotated Anodyne COc1cc(OCc2csc(C3CCSCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223038799 JK Annotated Anodyne COc1cc(OCc2csc(C3(F)CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223041277 JK Annotated Anodyne COc1cc(OCc2cccc(-c3ncccn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223083608 JK Annotated Anodyne COc1cc(N2CCN(C(=O)N[C@@H](C)c3cccc4ccccc34)C[C@H]2C)ccc1-c1cnc(C)o1 ZINC000223164782 JK Annotated Anodyne Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Br)cc4)cc3=O)cn12 ZINC000223355333 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(Sc2ccc(O)cc2)c1 ZINC000223383011 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223383813 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccccc2)c1 ZINC000223383899 JK Annotated Anodyne CC(C)(C)COC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223384340 JK Annotated Anodyne COc1ccc(CCc2cc(C(=O)N[C@@H](CCc3ccccc3)C(=O)OC(C)(C)C)ccc2N)cc1 ZINC000223384995 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1cccc(CCc2ccc(O)cc2)c1 ZINC000223385071 JK Annotated Anodyne CCC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223386837 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCCc2ccc(O)cc2)c1 ZINC000223388494 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1cccc(OCCc2ccc(O)cc2)c1 ZINC000223391858 JK Annotated Anodyne CCn1cc(Cl)c2cc(-c3c(-c4cc(Br)c(OC)c(OC)c4)ncn3C)ccc21 ZINC000223399256 JK Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)s3)[nH]c2cc1C1=NCCN1 ZINC000223435814 JK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br ZINC000223661827 JK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br ZINC000223662493 JK Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc2ccccc12 ZINC000223666338 JK Annotated Anodyne COc1ccc(CCN(C)C)cc1[C@@H]1C=C(C)C[C@@H](c2cc(CCN(C)C)ccc2OC)C1=C(C)C ZINC000223666500 JK Annotated Anodyne Clc1cccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)c1 ZINC000223667221 JK Annotated Anodyne Clc1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1 ZINC000223667793 JK Annotated Anodyne Clc1ccccc1CN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 ZINC000223668894 JK Annotated Anodyne CC(C)Cn1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)cn1 ZINC000223669457 JK Annotated Anodyne Cc1noc(C)c1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223669707 JK Annotated Anodyne Cc1ccsc1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223669787 JK Annotated Anodyne Cc1csc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1 ZINC000223670031 JK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccn[nH]1 ZINC000223670628 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cc(C4CC4)[nH]n3)csc12)Cc1ccccc1 ZINC000223670958 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccccc3)csc12)Cc1ccccc1 ZINC000223673030 JK Annotated Anodyne Cc1noc(C)c1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12 ZINC000223676290 JK Annotated Anodyne NCc1ccc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4F)nc23)cc1 ZINC000223676366 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccc(F)cc3)csc12)Cc1ccccc1 ZINC000223676445 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccsc3)csc12)Cc1ccccc1 ZINC000223676855 JK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccoc1 ZINC000223677262 JK Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccccc1 ZINC000223677569 JK Annotated Anodyne Cc1nc(C)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)s1 ZINC000223678348 JK Annotated Anodyne Cc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223678398 JK Annotated Anodyne COc1cnccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223678867 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(NC(=O)C3CCCCC3)csc12)Cc1ccccc1 ZINC000223679075 JK Annotated Anodyne Cc1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1 ZINC000223681249 JK Annotated Anodyne N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12 ZINC000223681409 JK Annotated Anodyne N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12 ZINC000223681884 JK Annotated Anodyne COc1ccncc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223682749 JK Annotated Anodyne COc1ccc(C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223683658 JK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccccc1 ZINC000223683995 JK Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1c[nH]c2ccccc12 ZINC000223685284 JK Annotated Anodyne N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(Br)cc1 ZINC000223686116 JK Annotated Anodyne N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc2ccccc2c1 ZINC000223686198 JK Annotated Anodyne N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc2ccccc12 ZINC000223686262 JK Annotated Anodyne COc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223687721 JK Annotated Anodyne COc1ccc(F)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223687791 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3ccccc3)csc12)Cc1ccccc1 ZINC000223687952 JK Annotated Mild N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cccc(CO)c3)csc12)Cc1ccccc1 ZINC000223692048 JK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cn[nH]c1 ZINC000223692283 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccccc3)csc12)Cc1ccccc1 ZINC000223692361 JK Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)nc1 ZINC000223692584 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccc(CO)cc3)csc12)Cc1ccccc1 ZINC000223693011 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(Nc3ccccc3)csc12)Cc1ccccc1 ZINC000223693421 JK Annotated Anodyne Cc1ccccc1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12 ZINC000223693508 JK Annotated Anodyne CC(C)(O)C#Cc1c(C(C)(C)C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223693736 JK Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3ccccc3F)csc12)Cc1ccccc1 ZINC000223694802 JK Annotated Mild c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(-c3ccsc3)cc2)n1 ZINC000223695453 JK Annotated Anodyne c1csc(-c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)c1 ZINC000223695994 JK Annotated Anodyne Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cc[nH]c(=O)c1 ZINC000223858694 JK Annotated Mild COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(O)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000223895731 JK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(F)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224059969 JK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(F)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224060016 JK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)C2=O ZINC000224072240 JK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)C2=O ZINC000224072290 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCC#N)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224075284 JK Annotated Mild Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCC#N)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224075330 JK Annotated Mild Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCO)c2C2CC2)C(=O)N1c1cccc(Cl)c1F ZINC000224075446 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCO)c2C2CC2)C(=O)N1c1cccc(Cl)c1F ZINC000224075489 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCO)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000224075946 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCO)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000224075996 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224079332 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224079389 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCO)c2C2CCC2)C(=O)N1c1cccc(Cl)c1F ZINC000224082625 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCO)c2C2CCC2)C(=O)N1c1cccc(Cl)c1F ZINC000224082684 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCO)c2C(C)C)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000224087854 JK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCO)c2C(C)C)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000224087913 JK Annotated Anodyne CC(C)c1c2c(nn1-c1cn[nH]c1)C(=O)N(c1cccc(Cl)c1F)[C@@H]2c1ccc(Cl)cc1 ZINC000224126076 JK Annotated Anodyne CC(C)c1c2c(nn1-c1cn[nH]c1)C(=O)N(c1cccc(Cl)c1F)[C@H]2c1ccc(Cl)cc1 ZINC000224126126 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC/C=C/CCCCCCCCCC/C=C\C#CC(=O)O ZINC000224135221 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCC#C/C=C/CCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000224135530 JK Annotated Mild Cc1cc(NC(=O)Nc2cc([C@H]3C[C@H]3C(=O)O)ccc2N(CC(C)C)C2CCCCC2)on1 ZINC000224232461 JK Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)c(C(F)(F)F)c3)c2F)cn1 ZINC000224544204 JK Annotated Mild CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1C(F)(F)F ZINC000224544931 JK Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(F)(F)(F)(F)F)cc3)c2F)cn1 ZINC000224546884 JK Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(S(F)(F)(F)(F)F)cc3)c2F)cn1 ZINC000224553076 JK Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3S(F)(F)(F)(F)F)c2F)cn1 ZINC000224555604 JK Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(F)(F)(F)(F)F)cc3F)c2F)cn1 ZINC000224557065 JK Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(S(F)(F)(F)(F)F)c3)c2F)cn1 ZINC000224560238 JK Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(S(F)(F)(F)(F)F)ccc3F)c2F)cn1 ZINC000224569128 JK Annotated Reactive CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c(C(F)(F)F)c1 ZINC000224570067 JK Annotated Anodyne Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1 ZINC000224578249 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1 ZINC000224586088 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1 ZINC000224586136 JK Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)cc3C(F)(F)F)c2F)cn1 ZINC000224601663 JK Annotated Mild CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)c(F)c1 ZINC000224718816 JK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C(F)(F)F)c2)c(F)c1 ZINC000224729344 JK Annotated Anodyne N#Cc1nc(N)cnc1-c1ccc(-c2ccc(C(F)(F)F)cc2Oc2ncccn2)cc1F ZINC000224754246 JK Annotated Mild C[Si](C)(C)CCOCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224760580 JK Annotated Anodyne CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(I)c1 ZINC000224871693 JK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccccc2)c1 ZINC000224879250 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000224900849 JK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000224911806 JK Annotated Anodyne CN(C)CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000224917426 JK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000224919814 JK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000224933347 JK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000224954559 JK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000224970457 JK Annotated Anodyne O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1NC(=O)C1CCCCC1 ZINC000224993833 JK Annotated Anodyne C[C@@H]1C(C#N)=C(SCCn2c(C(C)(C)C)nc3ccccc3c2=O)N=C2CC(C)(C)CC(O)=C21 ZINC000022781964 JK Annotated Reactive C[C@H]1C(C#N)=C(SCCn2c(C(C)(C)C)nc3ccccc3c2=O)N=C2CC(C)(C)CC(O)=C21 ZINC000022781971 JK Annotated Reactive Brc1ccc2c([C@H]3CN[C@@H](c4c[nH]c5cc(Br)ccc45)CN3)c[nH]c2c1 ZINC000022859129 JK Annotated Anodyne CCN1CCC[C@H](NCc2c3ccccc3c(CN[C@@H]3CCCN(CC)C3)c3ccccc23)C1 ZINC000022863809 JK Annotated Bother CCN1CCC[C@@H](NCc2c3ccccc3c(CN[C@@H]3CCCN(CC)C3)c3ccccc23)C1 ZINC000022863812 JK Annotated Bother Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21 ZINC000022924640 JK Annotated Anodyne c1ccc(C(c2ccccc2)N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1 ZINC000022924682 JK Annotated Anodyne C(=C/c1cc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1)\c1ccccc1 ZINC000022924692 JK Annotated Anodyne COc1ccc(CNCCN(C/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000022927719 JK Annotated Anodyne c1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CNCCN4CCNCC4)cc3)cc2n1 ZINC000022932307 JK Annotated Anodyne Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCN6CCNCC6)cc5)sc34)ccc2[nH]1 ZINC000022932310 JK Annotated Anodyne Cc1ccc(O)c(N(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C(C)C)c1 ZINC000022934219 JK Annotated Anodyne Cc1ccc(O)c(N(C)CCCN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934232 JK Annotated Anodyne Cc1ccc(O)c(N(C)CCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934236 JK Annotated Anodyne Cc1ccc(O)c(N(CCCN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934240 JK Annotated Anodyne Cc1ccc(O)c(N(CCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934244 JK Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@](C)(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)O2 ZINC000022934332 JK Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)O2 ZINC000022934337 JK Annotated Anodyne Fc1ccc(C(OCCN2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1 ZINC000022938584 JK Annotated Anodyne C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938772 JK Annotated Mild C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CCCC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938775 JK Annotated Mild C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N3CCCCCC3)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938787 JK Annotated Mild C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938806 JK Annotated Mild C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CCCC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938809 JK Annotated Mild C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N3CCCCCC3)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938820 JK Annotated Mild CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1 ZINC000022938830 JK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC[C@H](Cc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000022938880 JK Annotated Anodyne CCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022938901 JK Annotated Anodyne CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(C(F)(F)F)c1 ZINC000022938910 JK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000225016724 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3C3=CCNCC3)cccc2c1 ZINC000225038666 JK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2c1 ZINC000225043233 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225046880 JK Annotated Anodyne COCc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225050078 JK Annotated Anodyne COc1cc(C(F)F)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225051350 JK Annotated Anodyne COc1cc(-c2ccccc2)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225055085 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1c(C#N)cnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225055506 JK Annotated Mild COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nc(C)cs3)ccc12 ZINC000225063810 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2c1 ZINC000225065524 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000225065830 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)c(C)cc12 ZINC000225070518 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)c(F)cc12 ZINC000225070910 JK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNC3)cccc2c1 ZINC000225080258 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225085179 JK Annotated Anodyne N#CCOc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225086388 JK Annotated Mild COc1cc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225088296 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nc(Cl)cs3)ccc12 ZINC000225093152 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3C(F)(F)F)nccc2c1 ZINC000225103644 JK Annotated Anodyne COc1ccc(-c2cccc(F)c2)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225105395 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3F)cccc2c1 ZINC000225106000 JK Annotated Anodyne COc1cc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225108814 JK Annotated Anodyne COc1cc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225110274 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncc(Cl)s3)ccc12 ZINC000225110884 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c(OC)c2)cc1 ZINC000225111538 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c(OC)c2)c1 ZINC000225114270 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nc(C#N)cs3)ccc12 ZINC000225115367 JK Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3-c3cn[nH]c3)cccc2c1 ZINC000225116063 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncc(C#N)s3)ccc12 ZINC000225116712 JK Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3C(F)(F)F)cccc2c1 ZINC000225118293 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccc(F)cn3)ccc12 ZINC000225120419 JK Annotated Anodyne COc1cc(-c2cc(C)cc(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225120513 JK Annotated Anodyne COc1cc(-c2ccc(C#N)cc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225120664 JK Annotated Mild COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cc(Cl)ncn3)ccc12 ZINC000225122069 JK Annotated Anodyne COc1ccc(-c2cccc(F)c2)cc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225124303 JK Annotated Anodyne COc1cc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225124622 JK Annotated Anodyne COc1cc(-c2ccc(C)cc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225125935 JK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000225128876 JK Annotated Anodyne COc1cc(-c2cccc(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225129109 JK Annotated Anodyne COc1cc(-c2ccc(C)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225132950 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3OC(F)F)cccc2c1 ZINC000225137375 JK Annotated Anodyne COc1ccc(-c2cccc(F)c2)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225149546 JK Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC(C(F)(F)F)CC1 ZINC000225249247 JK Annotated Anodyne COC(=O)C[C@@H]1N=C(c2ccc(-c3ccccc3OC)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000225371406 JK Annotated Anodyne COC(=O)C[C@@H]1N=C(c2ccc(-c3ccc(C#N)cc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000225959911 JK Annotated Anodyne CNC(=O)N1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)c(F)cc4F)ccnc3[nH]2)CC1 ZINC000226033747 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC[C@H](N[C@H](C(=O)O)C(C)(C)C)CC3)cc12 ZINC000226039798 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC[C@@H](N[C@H](C(=O)O)C(C)(C)C)CC3)cc12 ZINC000226039812 JK Annotated Anodyne COC(=O)N1CCC[C@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000226059394 JK Annotated Anodyne COC(=O)N1CCC[C@@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000226059401 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc12 ZINC000226063217 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc12 ZINC000226063228 JK Annotated Anodyne Fc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@@H]5CCCNC5)cc34)n2)cc1F ZINC000226073227 JK Annotated Anodyne Fc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@H]5CCCNC5)cc34)n2)cc1F ZINC000226073239 JK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NC[C@@H]5CCOC(C)(C)C5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226078999 JK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NC[C@H]5CCOC(C)(C)C5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226079007 JK Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(C4CCC(CC(=O)O)CC4)CC3)cc12 ZINC000226080238 JK Annotated Anodyne O=C(c1ccnc(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3ccc(Cl)s3)n1C2 ZINC000226129526 JK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)C(=C1CC(C)(C)C(=O)C2)C=C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000226276352 JK Annotated Anodyne COc1cccc(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1O ZINC000023128759 JK Annotated Clean COc1cccc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1O ZINC000023128760 JK Annotated Clean CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1 ZINC000023359464 JK Annotated Anodyne CN(C)[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)C1 ZINC000023361016 JK Annotated Anodyne CN(C)[C@H]1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)C1 ZINC000023361019 JK Annotated Anodyne CN1CCCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)CC1 ZINC000023361022 JK Annotated Anodyne Brc1ccc2c([C@H]3CN[C@H](c4c[nH]c5cc(Br)ccc45)CN3)c[nH]c2c1 ZINC000023377813 JK Annotated Anodyne C/C1=C\CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000230066573 JK Annotated Anodyne in-man C/C1=C\CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000230066576 JK Annotated Anodyne in-man C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000230066580 JK Annotated Anodyne in-man C/C1=C\CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000230066591 JK Annotated Anodyne in-man C/C1=C\CC[C@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000230066595 JK Annotated Anodyne in-man C/C1=C/CC[C@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000230066600 JK Annotated Anodyne in-man endogenous C/C1=C\[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000230066935 JK Annotated Anodyne in-man C/C1=C\[C@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000230066939 JK Annotated Anodyne in-man CC[C@@H](C)[C@@H](NC)/C(O)=N/[C@@H]1/C(O)=N\[C@@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@@H]1C(C)C ZINC000230067042 JK Annotated Mild in-man CC1=N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000230067302 JK Annotated Anodyne in-man CC1=N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000230067309 JK Annotated Anodyne in-man CC1=N[C@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H]1CC2)N[C@@H]3C ZINC000230067312 JK Annotated Anodyne in-man CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]21C ZINC000230078740 JK Annotated Anodyne in-man CO[C@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]21C ZINC000230078743 JK Annotated Anodyne in-man CO[C@@H]1CC(C)(C)CC2=C3CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]21C ZINC000230078749 JK Annotated Anodyne in-man CO[C@H]1CC(C)(C)CC2=C3CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]21C ZINC000230078753 JK Annotated Anodyne in-man CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3\CC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000230082799 JK Annotated Mild in-man CCCCCCC[C@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3\CC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000230082805 JK Annotated Mild in-man CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C/[C@@H]3[C@@H](CC[C@@]2(C)O1)C3(C)C ZINC000230082810 JK Annotated Mild in-man CCCCCCC[C@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C/[C@@H]3[C@@H](CC[C@@]2(C)O1)C3(C)C ZINC000230082815 JK Annotated Mild in-man C=C1CC[C@@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000230082820 JK Annotated Mild in-man C=C1CC[C@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000230082824 JK Annotated Mild in-man C=C1CC[C@@H]2CC=C(C#CC#CC[C@H]3O[C@@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000230082830 JK Annotated Mild in-man C=C1CC[C@H]2CC=C(C#CC#CC[C@H]3O[C@@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000230082834 JK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000230087389 JK Annotated Mild in-man C=C(C)[C@@H]1CCC(=C)[C@@H](CC[C@@H]2C(C)=CC[C@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000230087396 JK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@@H]2C(=C)CC[C@@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000230087400 JK Annotated Mild in-man C=C(C)[C@@H]1CCC(=C)[C@@H](CC[C@H]2C(C)=CC[C@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000230087404 JK Annotated Mild in-man C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@]1(C)O ZINC000230093841 JK Annotated Mild in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@H]3C(=CC(=O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O ZINC000230093846 JK Annotated Mild in-man C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@]1(C)O ZINC000230093852 JK Annotated Mild in-man C[C@@H]1CC[C@]2(C(=O)O)CC[C@H]3C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000230093858 JK Annotated Mild in-man C=C1CC[C@@H]2[C@@H]([C@@H]3[C@@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000230093987 JK Annotated Mild in-man C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000230093994 JK Annotated Mild in-man C=C1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000230093998 JK Annotated Mild in-man endogenous C=C1CC[C@H]2[C@H]([C@@H]3[C@@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000230094002 JK Annotated Mild in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000230094094 JK Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000230094098 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000230094103 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@@H](C(C)(C)O)CC[C@@]21C ZINC000230094115 JK Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@@H](C(C)(C)O)CC[C@@]21C ZINC000230094119 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@@H](C(C)(C)O)CC[C@@]21C ZINC000230094123 JK Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@@H](C(C)(C)O)CC[C@@]21C ZINC000230094129 JK Annotated Anodyne in-man CC(=O)CC[C@@H]1[C@@H]([C@@H]2C(=O)CC[C@@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000230102746 JK Annotated Anodyne in-man CC(=O)CC[C@H]1[C@@H]([C@@H]2C(=O)CC[C@@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000230102752 JK Annotated Anodyne in-man CC(=O)CC[C@@H]1[C@H]([C@@H]2C(=O)CC[C@@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000230102759 JK Annotated Anodyne in-man CC(=O)CC[C@H]1[C@H]([C@@H]2C(=O)CC[C@@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000230102768 JK Annotated Anodyne in-man C=C1CC[C@@H]([C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000230104912 JK Annotated Mild in-man C=C1CC[C@H]([C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000230104920 JK Annotated Mild in-man C=C1CC[C@@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000230104927 JK Annotated Mild in-man C=C1CC[C@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000230104931 JK Annotated Mild in-man COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(C(C)=O)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000230470081 JK Annotated Anodyne CC(C)C[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000230505399 JK Annotated Anodyne O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1O ZINC000230507838 JK Annotated Anodyne CS(=O)(=O)[C@@H](CCCCCCN(Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 ZINC000230514737 JK Annotated Anodyne N#C[C@@]1(C(=O)N(c2ccccc2)c2ccccc2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230515608 JK Annotated Mild N#C[C@]1(C(=O)N(c2ccccc2)c2ccccc2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230515653 JK Annotated Mild O=C(O)[C@H]1C[C@@H]1c1ccc(-c2ccc(CN(CCc3ccccn3)C(=O)C3CCC3)cc2)cc1 ZINC000230559270 JK Annotated Anodyne COc1cc(NC(=O)Nc2cccc(CNC(=O)OC3CCCCC3)c2)ccc1-c1cnco1 ZINC000230564393 JK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cccc3ccccc13)c1ncc-2[nH]1 ZINC000230573005 JK Annotated Anodyne COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F ZINC000230816072 JK Annotated Anodyne CCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C ZINC000230886687 JK Annotated Reactive COC(=O)C[C@@H]1N=C(c2ccc(-c3ccccc3C#N)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000231130564 JK Annotated Anodyne N=C(N)N1CCC[C@H]1c1nc(-c2ccc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2)no1 ZINC000231365524 JK Annotated Anodyne Cc1coc2c3c(ccc2c1=O)OC[C@H]1[C@@H]3c2c(ccc(C(=O)c3ccccc3)c2O)OC1(C)C ZINC000231390082 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)n1 ZINC000231391251 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)n1 ZINC000231391284 JK Annotated Anodyne COC(=O)c1c(Oc2c(CC(C)=O)cc(C)cc2OC)ccc([C@H](CC(C)C)OC(C)=O)c1OC ZINC000231543734 JK Annotated Anodyne O=C1c2ccccc2/C(=N/Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Br)ccc1[N+](=O)[O-] ZINC000023549929 JK Annotated Mild CC(=O)Oc1cc(C)c2c(c1)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000238730641 JK Annotated Anodyne C=C1CC[C@](COC(C)=O)(c2cc3cc(O)c(C(C)=O)cc3o2)c2c1oc1cc(C(C)=O)c(O)cc21 ZINC000238730691 JK Annotated Mild CCCCCCCCCCCCCCCCOCCc1c(C)cc2c(c1C)C(=O)[C@@H](C)[C@@H]2O ZINC000238730728 JK Annotated Mild C=C(/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000238730749 JK Annotated Mild CC(C)=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000238730752 JK Annotated Mild CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)[C@@H](O)C[C@]3(C)OC3(C)C)[C@@H]21 ZINC000238730767 JK Annotated Mild CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@@H]2[C@@H](O)C(=O)/C(=C(/C)CO)C[C@]2(C)[C@H]1C ZINC000238730786 JK Annotated Mild Cc1c(O)c(O)cc2c1C(=O)C(O)=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238730867 JK Annotated Mild C=C[C@@](C)(CC/C=C(/C)C[C@@H]1C=C(C)C(=O)[C@H]1C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238730883 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238730885 JK Annotated Mild CC1(C)C=C[C@H]2/C(=C3/C(=O)c4cc(O)ccc4C4=C3C(=O)CC(C)(C)O4)C(=O)c3ccccc3[C@H]2O1 ZINC000238730894 JK Annotated Mild CC1(C)C=C[C@H]2/C(=C3\C(=O)c4cc(O)ccc4C4=C3C(=O)CC(C)(C)O4)C(=O)c3ccccc3[C@H]2O1 ZINC000238730897 JK Annotated Mild C[C@@H]1C(CO)=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@]3(C)C(C)(C)[C@@H](O)CC[C@]43C)[C@H]12 ZINC000238730932 JK Annotated Anodyne C[C@]1(c2cc(O)cc(O)c2)c2c(/C=C/c3ccc(O)cc3)cc(O)cc2O[C@]1(C)c1ccc(O)cc1 ZINC000238731171 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@]2(C)[C@@H](C(C)C)CC[C@H]2[C@]1(C)CC3 ZINC000238731221 JK Annotated Anodyne C[C@H]1CC[C@@]2(CC[C@H](C)[C@H]([C@@H](C)C(=O)c3ccc[nH]3)O2)O[C@H]1Cc1nc2c(C(=O)O)cccc2o1 ZINC000238731252 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](C)[C@](C)(CC[C@@H](C)CC(=O)OC)[C@H]2CCC=C(C)[C@]12C ZINC000238731303 JK Annotated Anodyne C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)OC(=O)/C=C\c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O ZINC000238731386 JK Annotated Reactive COC(=O)C[C@H](C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccccc3)[C@H](O)C[C@]12C ZINC000238731425 JK Annotated Anodyne CC(=O)OCCC[C@@]1(C)C(=C(C)C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@H](C)CCC=C(C)C)CC[C@]12C ZINC000238731559 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C=O)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C ZINC000238731576 JK Annotated Mild C=C[C@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000238731577 JK Annotated Mild C/C(C=O)=C1\CC[C@@H](C)[C@@](C)(CC/C=C(\C)CC/C=C(\C)C[C@H](O)[C@H]2OC2(C)C)[C@@H]1CCCO ZINC000238731585 JK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@H]2C1(C)C ZINC000238731603 JK Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](OC(=O)/C(C)=C\C)[C@]3(C2)[C@@H]1OC(C)=O ZINC000238731688 JK Annotated Mild Cc1ccc(/C=C/c2cc(O)cc(O)c2-c2cc(O)c(O)cc2/C=C/c2cc(O)cc(O)c2)cc1O ZINC000238731705 JK Annotated Clean C=C[C@@](C)(CC/C=C(/C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238731731 JK Annotated Mild CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@@H]1OC(=O)C=C(C)C ZINC000238731783 JK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H](O)[C@H]3[C@]4(C)CC[C@H]([C@H](C)Cc5cc(C)co5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@H]12 ZINC000238731844 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000238731880 JK Annotated Anodyne CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@@](C)(CO)[C@H]2CC[C@]13C ZINC000238731884 JK Annotated Anodyne C[C@H]1OC(=O)CC[C@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C ZINC000238731931 JK Annotated Anodyne C[C@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@H]12)C[C@]1(CC[C@@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)CS3 ZINC000238732032 JK Annotated Anodyne C/C(=C\COC(=O)/C=C\c1ccccc1)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C ZINC000238732090 JK Annotated Anodyne C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000238732100 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](Oc2ccc(O)cc2)O3)cc1 ZINC000238732177 JK Annotated Anodyne C=C(C)[C@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000238732222 JK Annotated Mild CC(=O)N1CCC[C@H]2[C@@H](Cc3ccc4c(n3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000238732226 JK Annotated Anodyne CCc1c(C)c2cc3cc(C)c(cc4cc(C)c(cc5nc(cc1[nH]2)c(CCC(=O)OC)c5C)[nH]4)n3 ZINC000238732264 JK Annotated Bother CC(C)=CCc1c(O)ccc2c1OC[C@@H](c1ccc(OC[C@@H]3[C@@H](C)CCCC3(C)C)c(O)c1)C2=O ZINC000238732379 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238732443 JK Annotated Clean C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C[C@@H](C)CC)[C@]2(C)[C@H]1C(=O)O ZINC000238732500 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)[C@H](C=O)C(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000238732596 JK Annotated Mild CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1NC3 ZINC000238732615 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000238732616 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5C=C4)CC[C@]23C)OC1=O ZINC000238732630 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC(=O)[C@@]4(CO)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238732719 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)OC1=O ZINC000238732798 JK Annotated Mild CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238732804 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(Cl)(Cl)Cl)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000238732835 JK Annotated Anodyne COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(OC)cc4c(c3O)-c3ccc(O)cc3CC4)cc1-2 ZINC000238732876 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238732934 JK Annotated Reactive O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO1 ZINC000238732935 JK Annotated Anodyne CC1=C2C[C@@]3(C)C(=C[C@]2([C@@]24OC(=O)C(C)=C2C[C@]2(C)[C@@H](C)CCC[C@@]25O[C@@H]45)OC1=O)CCC[C@@H]3C ZINC000238732995 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C[C@@]4(CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@H]12)CO3 ZINC000238733304 JK Annotated Anodyne CC1=CC[C@@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238733318 JK Annotated Reactive COC(=O)CC[C@@]1(C)[C@H](C(C)C)CC[C@]2(C)[C@@H]1CCC1=C3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238733366 JK Annotated Anodyne C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238733434 JK Annotated Anodyne C=C/C=C(\C)CC[C@H]1C/C=C\C=C(\C)[C@@H](O)CCC/C=C\C=C/C=C/C[C@@H](C)C(=C)CC(=O)O1 ZINC000238733464 JK Annotated Mild CC1=C(C(=O)C(C)C)C(=O)C(Cc2c(O)c3c(c(C(=O)C(C)C)c2O)OC(C)(C)C=C3)=C(O)C1(C)C ZINC000238733502 JK Annotated Mild c1cc2ccc1NCCCCNc1ccc(cc1)-c1ccc(cc1)NCCCCNc1ccc-2cc1 ZINC000238733672 JK Annotated Anodyne CC(C)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(=O)CC(=O)O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000238733763 JK Annotated Anodyne C[C@H]1[C@H](O)C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238733793 JK Annotated Anodyne CC(C)[C@@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000238733838 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C[C@H]1NC(=O)C=C(C)C ZINC000238733884 JK Annotated Anodyne C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1OC(C)=O ZINC000238733900 JK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CCC4=C(CC[C@H]5C(C)(C)[C@@H](OC=O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000238733910 JK Annotated Anodyne C=CCc1ccc(O[C@]2(C)CC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]3C2)c(-c2ccc(O)c(CC=C)c2)c1 ZINC000238733933 JK Annotated Mild C=C([C@H]1[C@H](Br)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 ZINC000238733951 JK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238733991 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@@](C)(CO)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238734096 JK Annotated Anodyne C=C(C)[C@@H]1[C@H](c2cc(CCN(C)C)ccc2OC)C=C(C)C[C@@H]1c1cc(CCN(C)C)ccc1OC ZINC000238734157 JK Annotated Mild C=C1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(O)[C@@H](C)CC[C@H]2OC(C)(C)C(=O)CC[C@]21C ZINC000238734196 JK Annotated Mild CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000238734231 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238734238 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238734272 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC[C@@]4(C)c5c(O)c(O)cc(O)c5C[C@H]4[C@@]3(C)CC[C@H]21 ZINC000238734281 JK Annotated Clean CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(OC)C[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000238734418 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238734528 JK Annotated Mild COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)C[C@H](OC(=O)[C@@]2(C)N=NC[C@@H]2C)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238734578 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C ZINC000238734610 JK Annotated Mild CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(\C=O)CC/C=C(/C)CCC1=C(C)CCCC1(C)C ZINC000238734636 JK Annotated Reactive C=C(C)[C@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2OC(C)=O)CCC[C@H]1C ZINC000238734768 JK Annotated Reactive CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)C(C)C)(C(=O)[C@H]3CCC(C)(C)O[C@@H]32)C1(C)C ZINC000238734852 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238734903 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000238734914 JK Annotated Mild C[C@@H]1CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)/C1=C/C[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@@H](O)CC[C@@]21C ZINC000238734929 JK Annotated Anodyne C[C@H]([C@H]1CC=CC(=O)O1)[C@H]1CC[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C ZINC000238735037 JK Annotated Anodyne CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1\C(=O)c2ccccc2[C@@H]2OC(C)(C)C=C[C@@H]12 ZINC000238735087 JK Annotated Mild CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1/C(=O)c2ccccc2[C@@H]2OC(C)(C)C=C[C@@H]12 ZINC000238735094 JK Annotated Mild C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@@H]32)c1 ZINC000238735183 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@](C)([C@@H](O)CC/C=C(\C)CC[C@@H](O)[C@](C)(O)CCC=C(C)C)O1 ZINC000238735250 JK Annotated Anodyne C=C(CO)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@]3(C)CC[C@@]23C[C@@]13CCC(=O)OC ZINC000238735270 JK Annotated Reactive C=C[C@@]1(C)CC[C@H](C2=CO[C@@]3(CC2)C(=O)O[C@@H]2C[C@@]4(C)CCCC(=C)[C@H]4C[C@@H]23)C[C@@H]1C(=C)C ZINC000238735293 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238735410 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000238735434 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000238735550 JK Annotated Mild COc1c(Cc2ccc(C)cc2)c(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2 ZINC000238735615 JK Annotated Anodyne C=C1CC=C2C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000238735639 JK Annotated Mild CC[C@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@H]1C[C@@H](O)C(=O)O ZINC000238735690 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CCC(C)(C)CC5=C4CC[C@]23C)C1(C)C ZINC000238735691 JK Annotated Anodyne C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238735709 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12C ZINC000238735717 JK Annotated Anodyne CC(C)=CCc1c(O)c(CC2=C(C)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c(C(=O)C(C)C)c1O ZINC000238735913 JK Annotated Mild C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CCC=C(C)C)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)O)[C@@H]12 ZINC000238735924 JK Annotated Mild CC(C)=CCc1c(C)c(CC=C(C)C)c2cc3c(c(O)c2c1O)C(=O)C=C(O)[C@H]3CC=C(C)C ZINC000238735949 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C=O)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C ZINC000238735965 JK Annotated Mild COc1cc(O)c2c(c1)CCc1cc(O)c(-c3cc(OC)c(O)c4c3CCc3cc(O)ccc3-4)cc1-2 ZINC000238736025 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C=O)CC[C@]23C)C1(C)C ZINC000238736030 JK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)O[C@@]1(C(=O)C(C)C)[C@@]2(O)C(C)(C)C3=O ZINC000238736031 JK Annotated Anodyne Oc1cc(O)cc(/C=C/c2ccc3c(c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)O3)c1 ZINC000238736039 JK Annotated Clean CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C3[C@](C)(O)[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4 ZINC000238736045 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C=O)[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H]2C3=C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C ZINC000238736102 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC[C@@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238736129 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2cc3c(=O)c4c(O)cc5c(c4oc3c(O)c2O1)C=CC(C)(C)O5 ZINC000238736176 JK Annotated Bother COc1c(O)cc2c(c1CO)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000238736184 JK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3oc(-c4cc(O)cc(O)c4)cc13)C=CC(C)(C)O2 ZINC000238736201 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)OC)[C@@H]12 ZINC000238736287 JK Annotated Reactive C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C\c3ccc(OC(C)=O)cc3)[C@@H]2CC[C@@]1(C)O ZINC000238736341 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](/C(C)=C\CCC(C)C)CC[C@H]4[C@@H]3[C@@H](C=O)[C@]2(O)C1 ZINC000238736493 JK Annotated Mild C=CC(C)(C)c1c(OC)cc(O)c2c1O[C@]13C[C@@H]4[C@H](C=C1C2=O)[C@@](CC=C(C)C)(OC4(C)C)C3=O ZINC000238736515 JK Annotated Mild C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]2CC[C@]14C ZINC000238736540 JK Annotated Anodyne CC1(C)C/C(=C2/C(=O)c3ccccc3C3=C2CCC(C)(C)O3)C2=C(O1)c1ccccc1C(=O)C2 ZINC000238736601 JK Annotated Mild COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@H]3[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@@]3(C)[C@]1(C)CC2 ZINC000238736602 JK Annotated Anodyne C=C(CO)[C@H]1[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H]([C@@H](C)Cc4cc(C)co4)[C@]3(C)CC[C@@]23C[C@@]13CCC(=O)O ZINC000238736626 JK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000238736644 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@H]32)C1(C)C ZINC000238736746 JK Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)OC(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H]12 ZINC000238736767 JK Annotated Mild C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)O[C@@]1(O)/C=C/[C@@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@]12C ZINC000238736798 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)C/C=C(\C)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000238736832 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000238736868 JK Annotated Mild Oc1ccc([C@H]2O[C@@H]3c4cc(O)cc(O)c4[C@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000238736875 JK Annotated Anodyne C/C=C(\C)c1c(Cl)c(OC)c(C)c2c1Oc1c(C)c(O)c(Cl)c(/C(C)=C/C)c1C(=O)O2 ZINC000238736883 JK Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@@H]3[C@H]1CC[C@@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000238736911 JK Annotated Mild C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000238736967 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@@H]5CC(C)(C)C[C@@H](C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@H]2C1(C)C ZINC000238737019 JK Annotated Anodyne C=C(/C=C/C=C(\C)CCC=C(C)C)[C@H]1CC[C@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O ZINC000238737108 JK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)CC(=O)C(C)(C)C[C@@]32C)[C@@]1(C)CCC(=O)O ZINC000238737130 JK Annotated Mild C/C(=C\C[C@H](Cl)[C@@](C)(Br)CCl)[C@H](Cl)C(Br)Br ZINC000238737132 JK Annotated Reactive CC1(C)C[C@H]2[C@H]3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C=C[C@@]2(CO)[C@H](O)C1 ZINC000238737256 JK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO[C@H]4OC(=O)[C@@H]5[C@@H](C)CC[C@@H]5[C@@H]4C)CCC[C@]23C)C1 ZINC000238737289 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]13CO[C@@]4(CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@H]12)C3 ZINC000238737330 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@H]2[C@@]34CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)C[C@H](O)[C@]5(COC3)[C@H]4CC[C@]12C ZINC000238737405 JK Annotated Anodyne CC1(C)C=Cc2c(cc3c(c2O)C2=C(O)C(=O)C(=CC2=O)CCCCCCCCCCCCCC3)O1 ZINC000238737416 JK Annotated Mild CC(=O)O[C@H]1CCC2=C(C=C[C@@]34OC(=O)[C@]5(CC[C@@]23C)[C@@H]2CC(C)(C)CC[C@]2(C)CC[C@@]54C)C1(C)C ZINC000238737448 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]23C)O1 ZINC000238737543 JK Annotated Mild C[C@@]12C=C[C@]3(CC[C@@H]4[C@](C)(CCC[C@@]4(C)COC(=O)/C=C\c4ccc(O)cc4)[C@H]3[C@@H](O)C1)C2 ZINC000238737591 JK Annotated Anodyne C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000238737622 JK Annotated Mild CCC/C=C/C(Br)=C\[C@H](O)CCCCCC/C=C/C#CC#CCCC(=O)OCC ZINC000238737630 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238737708 JK Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CC(=O)c2ccc(-c3ccc(C#CC)s3)s2)[C@H]2C(=C)CC[C@H]12 ZINC000238737845 JK Annotated Mild O=C1CCN2CC[C@H]3[C@@H]4CCCCCCCCCN5CC(=C[C@@H]3C5)CCCCCCC[C@H]1[C@H]42 ZINC000238737848 JK Annotated Anodyne CC/C(C)=C/C(=O)OC/C=C(/C)CC/C=C(\C)[C@H](C/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1O)OC(C)=O ZINC000238737862 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O ZINC000238737946 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@]1(C)CCC(=O)O ZINC000238737992 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C ZINC000238738010 JK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)C=C(C)C)[C@@H](O)[C@@H](C)O[C@H]1O[C@H]1/C=C(\C)CC/C=C(\C)CC[C@H]1C(C)C ZINC000238738040 JK Annotated Anodyne COC(C)(C)/C=C/C[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H](O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238738081 JK Annotated Anodyne C#C/C=C/[C@@H](O)CCCCCC#CC/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O ZINC000238738110 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238738154 JK Annotated Mild C/C(=C/CC/C=C(\C)CC/C=C(/C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238738259 JK Annotated Anodyne CC(C)(O)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238738315 JK Annotated Anodyne CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(OO)C2)C1=O ZINC000238738380 JK Annotated Reactive CC(C)=CCC/C(C)=C/C=C\C(C)=C\CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238738433 JK Annotated Reactive C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C(=O)O)[C@H]3CC[C@@]21C ZINC000238738451 JK Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@H](OC(=O)/C=C/c5ccccc5)[C@@]4(C)C(=O)OC)[C@H]2CC[C@@H]1C3 ZINC000238738490 JK Annotated Mild C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC(C)=O)cc3)[C@@H]2CC[C@@]1(C)O ZINC000238738530 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@H](CCC=C(C)C)C(=O)O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000238738590 JK Annotated Mild CC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]([C@@]5(C)CCC(=O)O5)CC[C@]43C)[C@@]12C ZINC000238738603 JK Annotated Anodyne COc1cc(O)c(-c2cc(OC)c(O)c3c2CCc2cc(O)ccc2-3)c(/C=C/c2cccc(O)c2)c1 ZINC000238738641 JK Annotated Anodyne COc1cc([C@H]2[C@H](c3ccccc3)[C@H](c3cc(OC)cc(=O)o3)[C@H]2c2ccccc2)oc(=O)c1 ZINC000238738660 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C=O)CC(=O)C=C(C)C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000238738698 JK Annotated Mild CCCCCCCc1c(C(=O)O)c(O)cc2c1[C@]1(C(=O)O2)C(CCCCC)=CC(=O)C=C1OC ZINC000238738771 JK Annotated Mild C=C1CC[C@@H](C)C(C)(C)[C@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238738858 JK Annotated Reactive COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C\C=C(/C)CCC=C(C)C ZINC000238738958 JK Annotated Bother C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(COC(=O)C[C@H]4OC(=O)[C@@H]5[C@@H](C)CC[C@@H]5[C@H]4C)CCC[C@@]32C)C1 ZINC000238739213 JK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000238739230 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@@H]5C[C@](C)(C(=O)O)[C@H](O)C[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000238739255 JK Annotated Anodyne C=C(CC/C=C(/C)CCC=C(C)C)[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2CCC[C@]12C ZINC000238739292 JK Annotated Mild CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]1(C)O ZINC000238739340 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238739410 JK Annotated Reactive CO[C@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C ZINC000238739542 JK Annotated Anodyne C=C[C@]1(C)C[C@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1 ZINC000238739670 JK Annotated Mild CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@H]2[C@H](O)[C@]3(OC)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238739678 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@]2(C(=O)O)[C@H](/C=C(\C)[C@@H]3CC[C@@H](C(=O)O)CC3)C=C(C)C[C@H]2C1 ZINC000238739735 JK Annotated Anodyne CC(=O)OC[C@]12CCC(C)(C)C[C@H]1[C@]1(C)CC[C@@]3(C)[C@@H]4CCC(=O)[C@H](C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC2 ZINC000238739741 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)O)[C@@H]12 ZINC000238739866 JK Annotated Reactive Oc1cccc([C@]23CC4=CN(CCc5ccc(c(O)c5)-c5ccc(O)cc54)[C@H]2Cc2cccc(O)c23)c1 ZINC000238739897 JK Annotated Anodyne CC1=C(C/C=C(\C)CCC[C@@H](C)CC[C@@H](C)CCCCC(C)C)C(=O)c2ccccc2C1=O ZINC000238739967 JK Annotated Mild CC/C(=C\C=C\C=C\C=C\[C@@H](CC)CCCCC(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000238740004 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C)C(C)=CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000238740175 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@H]3CC[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)O2)O1 ZINC000238740214 JK Annotated Anodyne CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@@]2(C(C)C)C[C@@H]42)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O ZINC000238740219 JK Annotated Mild COc1c(OC)c(-c2c[nH]c3cc(CC=C(C)C)ccc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12 ZINC000238740226 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000238740234 JK Annotated Anodyne CC1(C)[C@@H](O)[C@@H](O)C[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000238740260 JK Annotated Anodyne COc1c(CC=C(C)C)c(O)c(C(=O)C2=CCC[C@@H](C)[C@H]2[C@H](C)O)c2oc(=O)c(C)c(C)c12 ZINC000238740347 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)Oc5c(C)cc(O)cc5C[C@H]4[C@]3(C)CC[C@H]2C1(C)C ZINC000238740471 JK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3[C@@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]31C)O2 ZINC000238740479 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@@]54C)CC3=CC[C@H]2C1(C)C ZINC000238740487 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C)C(C)=CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000238740497 JK Annotated Anodyne C[C@H]1O[C@@H](C=C=CBr)C[C@@H]2O[C@@H](C[C@@H](Br)[C@@H](Cl)C[C@@H]2Cl)[C@@H]1Cl ZINC000238740613 JK Annotated Reactive CC1(C)[C@@H](O)C[C@@H](O)[C@H]2[C@@]1(C)C(=O)C[C@@]1(C)[C@]3(C)CC[C@]4(C)CC[C@@](C)(C(=O)O)CC4=C3C=C[C@]21C ZINC000238740758 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@]2(C)CCC[C@](C)(OC(=O)C3=CC[C@@]4(C)CCCC(C)(C)[C@@]45C[C@@H]35)[C@H]2C1 ZINC000238740914 JK Annotated Anodyne Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](C)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000238740947 JK Annotated Mild CC(=O)CC[C@H]1[C@@H]([C@@H]2C(=O)CC[C@]2(C)[C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000238740991 JK Annotated Anodyne CCCCCCCCCC[C@@H](CCC[C@@H](O)/C=C\C1=CC(O)=C(OC)C(=O)C1)C1=CCC(=O)C=C1 ZINC000238741007 JK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(OC(C)(C)C=C3)[C@](C)(C[C@@H](CC=C(C)C)[C@]1(C)CC=C(C)C)C2=O ZINC000238741018 JK Annotated Mild O=C(c1cc2ccc(Br)cc2[nH]1)c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1 ZINC000238741027 JK Annotated Anodyne C=C(/C=C/C=C(\C)CCC=C(C)C)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000238741044 JK Annotated Reactive CC(C)C1=C2C3=C(C(=O)[C@@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@H](O)[C@]21CC[C@]2(C(C)C)C[C@H]12 ZINC000238741102 JK Annotated Mild C[C@@]12CC[C@@H](OC(=O)/C=C/c3ccccc3)[C@@](C)(C(=O)O)[C@H]1CC[C@]13C=C(C=O)[C@H](CC[C@@H]21)C3 ZINC000238741167 JK Annotated Reactive C[C@@]12CC[C@@H](OC(=O)/C=C/c3ccccc3)[C@@](C)(C(=O)O)[C@H]1CC[C@]13C=C(CO)[C@H](CC[C@@H]21)C3 ZINC000238741182 JK Annotated Anodyne CC(C)=CCc1c(O)cc2c(c1O)-c1c(O)cc(cc1O)CCCCCCCCCCCCCC2 ZINC000238741227 JK Annotated Anodyne C=C1CO[C@@]2(OC)[C@H]1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)/C=C/C=C(C)/C=C/CCCCC)[C@@H]1C)[C@@H]2O ZINC000238741304 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)[C@@H]4CC[C@@]5(C)CC=C(C)[C@@H](C)[C@H]5[C@H]4CC[C@H]32)C1(C)C ZINC000238741377 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000238741412 JK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CCC1=C(C)[C@@H](O)C[C@H](C(=C)C)[C@@]1(C)CCC(=O)OC ZINC000238741435 JK Annotated Mild C=C(C)[C@@H]1C[C@H](O)[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238741620 JK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)C4=C(CCC(C)(C)C4)CC[C@]3(C)[C@H]1CC[C@]1(C)[C@@H](C)C(=O)CC[C@H]12 ZINC000238741634 JK Annotated Anodyne C=C1[C@H]2C[C@H](OC(=O)CC)[C@@]3(C)CC[C@@H]([C@H](C)[C@@H](OC(=O)CC)C/C=C(\C)[C@H](OC(=O)CC)C2)[C@@H]13 ZINC000238741655 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238741672 JK Annotated Anodyne C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2CC[C@@]1(C)O ZINC000238741758 JK Annotated Mild C[C@H]1C=C2[C@@](C)(CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]23C)[C@@H]2C[C@](C)(C(=O)O)CC[C@@H]12 ZINC000238741777 JK Annotated Anodyne COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C ZINC000238741983 JK Annotated Bother CC(C)C1=C2C3=C(C(=O)[C@@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@H]12 ZINC000238742154 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O3)O2)O1 ZINC000238742178 JK Annotated Anodyne CC(=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@@H]1CC(=O)O ZINC000238742260 JK Annotated Anodyne CCCCCc1c2c(cc(O)c1C(=O)OC)OC(=O)c1c(cc(O)cc1C(=O)CCCC)O2 ZINC000238742274 JK Annotated Anodyne C/C=C/CCC1=C(C)C(=O)c2c(oc(Cc3c4c(c(O)c5occ(C)c35)CCC[C@@H]4C)c2C)C1=O ZINC000238742285 JK Annotated Mild CC1(C)C[C@H]2C3=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)C[C@H]1O ZINC000238742389 JK Annotated Anodyne CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]1/C=C(\C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000238742552 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2[C@@H]1O)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]2CC[C@]13C ZINC000238742571 JK Annotated Anodyne C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000238742678 JK Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](OC(C)=O)[C@]3(C2)[C@@H]1OC(=O)/C(C)=C/C ZINC000238742833 JK Annotated Mild CCOC(=O)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)[C@H](OC(C)=O)C3=CC[C@H]21 ZINC000238743066 JK Annotated Anodyne C=C[C@]1(C)C[C@H]2OC(=O)[C@@H](CCC3=C4C[C@H](C(=C)C)[C@@](C)(C=C)C[C@H]4OC3=O)[C@H]2C[C@H]1C(=C)C ZINC000238743147 JK Annotated Mild C=C(C)[C@H]1CC[C@]23C=C(COC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)C3 ZINC000238743243 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@@H]5CC(C)(C)[C@H](O)C[C@]5(CO)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000238743304 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c(O)c(CC=C(C)C)c3cc(-c4cc(O)cc(O)c4)oc23)O1 ZINC000238743463 JK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]1(O)[C@@H](C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O ZINC000238743551 JK Annotated Bother COc1cc(O)cc(CCc2cccc(O)c2)c1-c1c(OC)cc(O)c2c1CCc1cc(O)ccc1-2 ZINC000238743555 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@@H]1O ZINC000238743560 JK Annotated Anodyne Cc1c(O)c(O)cc2c1C(=O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000238743630 JK Annotated Clean CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@H]2[C@H](O)C(=O)/C(=C(\C)CO)C[C@]2(C)[C@H]1C ZINC000238743725 JK Annotated Mild C[C@@]12CCC[C@@](C)(COC(=O)CCc3ccc(O)cc3)[C@H]1CC[C@]13C[C@@H](C=O)[C@H](CC[C@H]12)C3 ZINC000238743786 JK Annotated Mild CC[C@@H](C)C(=O)O[C@H]1[C@H](O[C@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)O[C@H](C)[C@H](O)[C@@H]1OC(C)=O ZINC000238743808 JK Annotated Anodyne C[C@@H]1CCCC(C)(C)[C@@H]2C=C(CO)CC[C@@]21O[C@]12CCC(CO)=C[C@H]1C(C)(C)CCC[C@H]2C ZINC000238743837 JK Annotated Anodyne C[C@@]12CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]1C[C@](C)(C(=O)O)[C@H](O)C2 ZINC000238743928 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(C=O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000238744050 JK Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)CCCC/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccc(O)cc2)[C@@H]3[C@@H]1C ZINC000238744084 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@@]2(C)CC[C@@]2(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@H]1C ZINC000238744132 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@@]4(O)CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)C(=O)[C@@H]4C[C@H]32)C1(C)C ZINC000238744156 JK Annotated Anodyne CC(C)=N[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@]4(C)CO ZINC000238744176 JK Annotated Mild CC(C)CCC[C@H](CCC[C@H](C)CCC[C@H](C)CCOS(=O)(=O)O)COS(=O)(=O)O ZINC000238744182 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@]4(C)CC[C@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@@]12C ZINC000238744189 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238744293 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238744322 JK Annotated Mild C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]23C)O1 ZINC000238744373 JK Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](OC(C)=O)[C@@]1(C)C(=O)O)[C@@H]3CC2 ZINC000238744404 JK Annotated Anodyne COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1ccc1cc(O)ccc13)CCc1cc(O)ccc1-2 ZINC000238744405 JK Annotated Bother COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(OC)cc(O)c4c3ccc3cc(O)ccc34)cc1-2 ZINC000238744422 JK Annotated Bother C[C@H]1C=C2[C@@](C)(CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)[C@@H]2C[C@](C)(C(=O)O)CC[C@@H]12 ZINC000238744469 JK Annotated Anodyne CC1=CC[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000238744517 JK Annotated Anodyne C=C[C@@]1(C)C[C@H]2OC(=O)C(CC[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)=C2C[C@@H]1C(=C)C ZINC000238744596 JK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4[C@@H]5C=C6[C@@H](CC[C@H](OO)C6(C)C)[C@@]4(CC[C@@]3(C)[C@@H]2C1)CO5 ZINC000238744788 JK Annotated Reactive C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(=O)/C=C\c3ccc(O)cc3)CCC[C@]12C ZINC000238744913 JK Annotated Mild C[C@]1(C(=O)O)CC[C@]2(C)C(=O)C[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC[C@]13C ZINC000238744971 JK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)OC ZINC000238745037 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@](C)(C=O)[C@@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238745051 JK Annotated Mild C[C@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)C[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)CS3 ZINC000238745123 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000238745159 JK Annotated Mild C=C(C)CC[C@H](Cc1c(O)c(C(=O)c2cccc(O)c2)c(O)c(CC=C(C)C)c1OC)C(=C)C ZINC000238745170 JK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@@H]2C1(C)C ZINC000238745205 JK Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@H](C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)O[Si](C)(C)C ZINC000238745264 JK Annotated Reactive C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C ZINC000238745502 JK Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H](Cc3ccc4c(n3)C=C3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000238745731 JK Annotated Anodyne C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238745792 JK Annotated Reactive CCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCN(C)CCCN1 ZINC000238745874 JK Annotated Mild COC(=O)CCC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C ZINC000238745927 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2C[C@]3(C[C@H]2[C@@]1(C)CCC(=O)O)C(=C)CC[C@@]3(C)[C@H](C)CC(=O)C[C@@H](C)C(=O)O ZINC000238745940 JK Annotated Mild CC(=O)O[C@@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000238746246 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238746247 JK Annotated Mild C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H]1[C@@H](C)C(C)=C[C@@H](C)C1(C)C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000238746262 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C(=O)O)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238746485 JK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(COC(=O)C[C@@H]4OC(=O)[C@@H]5[C@@H](C)CC[C@@H]5[C@H]4C)CCC[C@]23C)C1 ZINC000238746492 JK Annotated Mild CO[C@H](O)[C@]1(C)CC[C@]2(C)CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]3(C)[C@@H]2C1 ZINC000238746493 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4[C@H](O)C(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238746556 JK Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@H](/C=C(C)/C=C/C=C(C)C)[C@]32COC(=O)C2)C1(C)C ZINC000238746710 JK Annotated Anodyne CCC1=C(C)/C2=C/c3[nH]c(c(CC)c3C)/C=C3\N[C@H](/C=c4\[nH]/c(c(CC)c4C)=C\[C@@H]1N2)C(CC)=C3C ZINC000238746781 JK Annotated Anodyne COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)C[C@@H](OC(=O)[C@@]2(C)N=NC[C@@H]2C)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238746839 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1OC(=O)c1ccccc1 ZINC000238746925 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@](C)(O)CCC1=C(C)[C@H](O)C(C)=C(C)[C@@H]1O ZINC000238746935 JK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@H](OC=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000238746943 JK Annotated Anodyne CCCCCCCCCCCCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC000238746948 JK Annotated Mild C=C(C)[C@@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]23C)O1 ZINC000238746976 JK Annotated Mild CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@H]4C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000238746995 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]23C)O1 ZINC000238747012 JK Annotated Mild COC(=O)/C=C(/C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](OC(=O)/C=C\c3ccccc3)[C@H](O)C[C@]12C ZINC000238747072 JK Annotated Anodyne O=C(O)CCC/C=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1/C=C\C=C\C(=O)NCCc1ccccc1 ZINC000238747074 JK Annotated Anodyne C/C(=C\C=C\[C@@]1(C)CC[C@H](Br)C(C)(C)O1)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 ZINC000238747109 JK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CC[C@H](O)CC3=O)C(=O)CC[C@@]21C ZINC000238747164 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC[C@@]5(C=O)CC[C@](C)(C(=O)O)C[C@@]45C)[C@@H]3CC[C@@H]12 ZINC000238747177 JK Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]1O ZINC000238747195 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C=O)CC[C@]12C ZINC000238747274 JK Annotated Mild COc1ccc2c(-c3c(OC)c(OC)c(-c4c[nH]c5ccc(O)cc45)c(OC)c3OC)c[nH]c2c1 ZINC000238747337 JK Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(=O)/C=C/c1ccccc1)[C@@H](O)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000238747397 JK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@@]4(C)CC[C@]23C)[C@@H]1CCC(=O)OC ZINC000238747419 JK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C(C)C)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238747427 JK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)C(C)C)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000238747644 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238747662 JK Annotated Anodyne CC1(C)CC[C@@]2(CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C2=O)C1 ZINC000238747700 JK Annotated Mild CCC(=O)c1cc(C)cc(OC)c1Oc1ccc([C@H](CC(C)C)OC(C)=O)c(OC)c1C(=O)OC ZINC000238747741 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@@H]2[C@@H](C)C[C@]3(C)[C@H]4C(=O)C=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238747753 JK Annotated Mild CC[C@H](C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3C[C@](O)(COC(C)=O)[C@H]4CC[C@]32C4)C1(C)C ZINC000238747800 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@]4(C)C=Cc5c(cc(O)c(O)c5C=O)C4=CC[C@@]3(C)[C@H]2C1 ZINC000238747957 JK Annotated Clean CCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCCC(=O)O1 ZINC000238748036 JK Annotated Mild CC(C)=CCC[C@@]1(C)CC[C@@H](O)C(C)=C1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@@H]2CC[C@@]1(C)O ZINC000238748089 JK Annotated Anodyne CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000238748122 JK Annotated Anodyne CC(=O)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@H]1[C@]1(C)CC[C@@H](Br)C(C)(C)O1 ZINC000238748202 JK Annotated Reactive COc1cc(O)c2c(c1)CCc1cc(-c3c(OC)cc(O)c4c3CCc3cc(O)ccc3-4)c(O)cc1-2 ZINC000238748254 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H]5CC(=O)[C@@]34[C@@H](O)O5)[C@@H]2C1 ZINC000238748372 JK Annotated Anodyne CC(C)C1=C2C3=C(C(=O)[C@@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O ZINC000238748431 JK Annotated Mild C=C1[C@@H]2CC/C(C)=C\CC/C(C)=C\[C@H]2O[C@@H]1O[C@H]1O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@H]2C1=C ZINC000238748495 JK Annotated Mild C=C[C@@](C)(CC/C=C(/C)CCC[C@H](C)[C@@H](O)/C=C\C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238748563 JK Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]5Cc6c(O)cc(O)c(O)c6[C@@]5(C)CC[C@H]4[C@]3(C)CC[C@H]12 ZINC000238748629 JK Annotated Clean C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238748651 JK Annotated Mild C=C(C(=O)OC1=C(C)[C@H]2C(=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]32)C1=O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000238748664 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238748829 JK Annotated Mild C=C1[C@H]2C[C@H](OC(=O)CC)[C@@]3(C)CC[C@@H]([C@H](C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)CC)C2)[C@@H]13 ZINC000238748874 JK Annotated Mild CC(C)=C/C=C/C(C)=C/[C@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000238748902 JK Annotated Anodyne CCOC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]([C@H](C)[C@H]4CC=C(C)C(=O)O4)CC[C@@]1(C)[C@H]3CCC2=C(C)C ZINC000238748920 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238748945 JK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238748973 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c3c(c4cc(-c5cc(O)cc(O)c5)oc24)C=CC(C)(C)O3)O1 ZINC000238749012 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CCC4=C(CC[C@@H](O)C4(C)C)C[C@H]3CC[C@]12C ZINC000238749120 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238749157 JK Annotated Anodyne COC(=O)C[C@@]1(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000238749160 JK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]3(C)[C@H]1CC[C@]1(C)[C@@H](C)C(=O)CC[C@H]12 ZINC000238749201 JK Annotated Anodyne COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CC/C(C)=C/COC(C)=O ZINC000238749252 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3 ZINC000238749392 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C(=O)C[C@@]5(C)C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238749426 JK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(OC)cc2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238749441 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238749629 JK Annotated Anodyne CO[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC1=C(C)C(=O)C(C)=C(C)C1=O ZINC000238749648 JK Annotated Mild COc1cc(Oc2ccc3c(c2)CCc2cc(O)cc(OC)c2-3)c2c(c1O)-c1ccc(O)cc1CC2 ZINC000238749653 JK Annotated Anodyne CC1(C)C[C@H]2[C@@]34C=C[C@@H]5[C@@]6(C)CCC(=O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC[C@@]2(CO4)C[C@@H]1O ZINC000238749760 JK Annotated Anodyne COc1cc(-c2cc(OC)c(O)c3c2ccc2cc(O)ccc23)c2c(c1O)-c1ccc(O)cc1CC2 ZINC000238749837 JK Annotated Bother C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 ZINC000238749976 JK Annotated Anodyne Oc1ccc([C@@H]2O[C@@H](c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000238749990 JK Annotated Anodyne CC1=C(CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@@H](O)CC[C@@]32C)C(C)(C)[C@@H]2CC[C@@](C)(O)[C@@H]2CC1=O ZINC000238750006 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000238750010 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]23C)O1 ZINC000238750033 JK Annotated Mild CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C[C@H](C)C(=O)OC ZINC000238750038 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/c4ccc(O)cc4)cc(O)c3[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238750059 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238750112 JK Annotated Mild Oc1ccc(C2=Cc3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c32)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238750141 JK Annotated Anodyne Oc1ccc(C2=Cc3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc42)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238750152 JK Annotated Anodyne CC(=O)O[C@H]1CCC2=C(C(=O)C[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C ZINC000238750190 JK Annotated Mild O=C1CCN2CC[C@@H]3[C@@H]4C=C5CCCCCCC[C@H]1[C@@H]2[C@@H]3CCCCCC/C=C/CCCN(C5)C4 ZINC000238750219 JK Annotated Anodyne C=C(CO)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)OC ZINC000238750404 JK Annotated Mild CCCCCc1c(Oc2cc(OC)cc(C(=O)CCCC)c2C(=O)OC)c(O)cc(O)c1C(=O)O ZINC000238750484 JK Annotated Anodyne C=C[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238750511 JK Annotated Mild CC1=C2C[C@@]3(C)C(=C[C@H]([C@@]45C=C6C=CC[C@H](C)[C@@]6(C)CC4=C(C)C(=O)O5)C[C@@H]3C)C=C2OC1=O ZINC000238750614 JK Annotated Anodyne CC(C)=C[C@H](O)CC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000238750681 JK Annotated Anodyne C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000238750699 JK Annotated Anodyne CC1=C2C[C@]3(C)[C@@H](C)CCC[C@@]34O[C@H]4[C@@]2([C@@]23C=C4CCC[C@H](C)[C@@]4(C)CC2=C(C)C(=O)O3)OC1=O ZINC000238750944 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCCC(=O)OC ZINC000238751072 JK Annotated Mild COc1cc2oc(=O)ccc2cc1[C@H]1C=C(C)CC[C@@]1(C)/C=C/c1c(OC)ccc2ccc(=O)oc12 ZINC000238751074 JK Annotated Anodyne C/C(=C\Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)CCCC(C)(C)C ZINC000238751208 JK Annotated Bother CC[C@H]1CN2CCc3c([nH]c4c(O)cccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000238751242 JK Annotated Anodyne COc1c(O)cc(C/C(C)=C/CCC[C@@H](C)C(=O)CC=C(C)C)c(CCN(C)C)c1Br ZINC000238751272 JK Annotated Anodyne C=C(CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]1(C)O)C(C)C ZINC000238751298 JK Annotated Reactive C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000238751387 JK Annotated Anodyne CNCCc1ccc(OC)c([C@@H]2C=C(C)C[C@@H](c3cc(CCNC)ccc3OC)[C@@H]2C(C)C)c1 ZINC000238751631 JK Annotated Anodyne C[C@@H]1CN(C)CC[C@H]1CC[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000238751662 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]12C ZINC000238751688 JK Annotated Anodyne C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC[C@H](C)CCOC(=O)CC(=O)O)[C@@](C)(O)CC[C@H]12 ZINC000238751805 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)OC(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000238751826 JK Annotated Mild C[C@@H](CC(=O)N1C(=O)C(C)(C)C(=O)[C@H]1C[C@@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000238751890 JK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000238751915 JK Annotated Anodyne CNC[C@H]1c2ccccc2N[C@@H]1[C@H]1[C@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CCN3C ZINC000238752002 JK Annotated Anodyne COc1cc(O)ccc1[C@H]1CC(C)=C[C@@H]2c3cc4ccc(=O)oc4cc3O[C@@H](c3ccc(O)cc3)[C@@H]21 ZINC000238752020 JK Annotated Anodyne CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000238752041 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C[C@@H](O)[C@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000238752076 JK Annotated Anodyne CC1=C(O)C(=O)C=C2[C@@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238752182 JK Annotated Mild CCCCO[C@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C ZINC000238752224 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]13C[C@@]4(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@H]12)CO3 ZINC000238752228 JK Annotated Anodyne CC1=C(C/C=C(\C)C[C@@H](O)C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000238752233 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]5(C=O)C(C)=C(O)C(=O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238752251 JK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(C(=O)C(C)C)c2c3c1OC(C)(C)[C@H]1CC[C@](C)(C[C@@H]31)O2 ZINC000238752352 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(/C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)OC)[C@@H]12 ZINC000238752520 JK Annotated Reactive Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000238752531 JK Annotated Clean COc1cc(O)c2c(c1)CCc1cc(-c3cc(OC)c4c(c3O)CCc3cc(O)ccc3-4)c(O)cc1-2 ZINC000238752604 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5[C@](C)(CO)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@H]32)C1(C)C ZINC000238752649 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000238752667 JK Annotated Anodyne C/C1=C\CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@H]2[C@H](CC1)C2(C)C ZINC000238752678 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C(=O)O)CC[C@]12C ZINC000238752748 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3[C@@H]4O[C@@H]4[C@]4(C)C(=CC(=O)[C@@]5(C)CCC(C)(C)C[C@@H]54)[C@]3(C)CC[C@H]2C1(C)C ZINC000238752757 JK Annotated Mild C/C=C(/C)C(=O)Oc1c(C)c(OC(C)=O)c(OC(C)=O)c([C@H](C)CCC=C(C)C)c1OC(C)=O ZINC000238752808 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CC[C@@H](OC)C(C)(C)[C@@H]5CC[C@]4(C)CC3=CC[C@@H]2C1(C)C ZINC000238752838 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]32C)O1 ZINC000238752851 JK Annotated Anodyne CC(C)[C@@]12CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@@]4(C)CC[C@]3(OO1)O2 ZINC000238752865 JK Annotated Reactive C=C(C)[C@@H](Cc1cc(OC)cc(C)c1O)C(=O)[C@H]1[C@]2(C)CCC[C@]2(C)[C@]12C[C@H](O)C(C)(C)O2 ZINC000238752907 JK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000238753116 JK Annotated Anodyne CC(=O)O[C@@H]1CC(=O)[C@@H](C)[C@](C)(/C=C/C(C)=C/Cc2c(O)c(Cl)c(C)c(C=O)c2O)[C@H]1C ZINC000238753134 JK Annotated Anodyne C=C(C)[C@H](Cl)CC/C(=C/CC/C(C)=C\CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O ZINC000238753160 JK Annotated Reactive CO[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC3 ZINC000238753184 JK Annotated Anodyne COc1cc(C)c2c(c1)CC[C@@](C)(CC1=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](O)C(C)(C)O3)O1)O2 ZINC000238753269 JK Annotated Anodyne CC(=O)O[C@@H]1C(C)=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc21 ZINC000238753304 JK Annotated Mild C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]23C)O1 ZINC000238753357 JK Annotated Mild CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=C(CC[C@@H]32)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)C1(C)C ZINC000238753360 JK Annotated Anodyne COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@@H]2OC(=O)C3=CCC[C@H]1[C@]32C ZINC000238753664 JK Annotated Anodyne C/C=C/CCc1c(C)c(-c2c(C)c(CC/C=C/C)c(O)c3occ(C)c23)c2c(C)coc2c1O ZINC000238753666 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238753709 JK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]1O[C@@]143 ZINC000238753720 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000238753736 JK Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(\C)[C@H]1O[C@@H](c2c3c(cn(C)c2=O)[C@]2(OC)CCC(=O)C[C@@H]2O3)CC[C@@H]1C ZINC000238753810 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238753817 JK Annotated Mild CC1=C2[C@]3(CC[C@H]1C)CC[C@]1(CO)[C@@]2(CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]21C)OC3=O ZINC000238753861 JK Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000238753868 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=CC2=C3CC(C)(C)[C@H](O)C[C@]3(CO)[C@H](O)C[C@]21C ZINC000238753909 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]1O[C@@]143 ZINC000238754039 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCCC(=O)O ZINC000238754194 JK Annotated Mild C/C=C/CCc1c(C)cc2c(c1O)O[C@@H]1[C@@H]3CC[C@H](C)c4c3c(c3occ(C)c3c4C)O[C@]21C ZINC000238754203 JK Annotated Anodyne CC1(C)CC[C@]2(CO)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC[C@]13C ZINC000238754217 JK Annotated Anodyne CNCCc1c([C@@H]2[C@@H]3[C@H](C[C@@](C)(O)CC3(C)C)[C@]34Nc5ccccc5[C@]23CCN4C)[nH]c2ccccc12 ZINC000238754221 JK Annotated Anodyne CC(C)=C[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)OC(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@@H](O)O1 ZINC000238754289 JK Annotated Anodyne C/C(C=O)=C1\CC[C@](C)(O)[C@@](C)(CC/C=C(\C)CC/C=C(\C)C[C@H](O)[C@H]2OC2(C)C)[C@@H]1CCCO ZINC000238754499 JK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CCC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)OC ZINC000238754602 JK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(C(=O)C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000238754611 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)/C=C4/C=C(C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238754626 JK Annotated Mild C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(COC(=O)[C@@H]4[C@@H](C)CC[C@@H]4[C@H](C)C=O)CCC[C@]23C)C1 ZINC000238754745 JK Annotated Mild CC1=CC[C@H]([C@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000238754800 JK Annotated Anodyne CC(=O)OCC[C@]1(C)[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C/CC(C)C ZINC000238754818 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C(=O)C[C@]1(C)[C@@H]2C=CC2=C3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C ZINC000238754838 JK Annotated Anodyne C=C/C=C/C[C@H]1CC[C@H](CCC(=O)[C@H](C)[C@H](O)[C@H]2C[C@H](C)[C@H](C/C(C)=C\C/C=C(\C)CCO)O2)O1 ZINC000238754879 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238754938 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@@H]5C[C@](C)(C(=O)O)CC(=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000238755077 JK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(/C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)OCC)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238755103 JK Annotated Mild CC(=O)Oc1cc(C)c(O)c(C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)c1 ZINC000238755113 JK Annotated Anodyne COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(O)cc(CCc4cccc(O)c4)cc3OC)cc1-2 ZINC000238755246 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]([C@@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238755300 JK Annotated Mild CC1=CC[C@@H]2C[C@H]3C(C)(C)CCC[C@]34C[C@@]35[C@H]2C(=O)C(C(C)C)=C2OC(C)(C)[C@H](C[C@H]13)[C@]25O4 ZINC000238755302 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OC)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238755318 JK Annotated Mild C1=C\CCCCN2C[C@@H]3CCCCCC/C=C\CCN4CC[C@H]([C@H](CCCCCC/1)C4)[C@@H](C3)C2 ZINC000238755321 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C ZINC000238755330 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]3(CO)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@]21C ZINC000238755338 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@](C)(C(C)C)O5)CC[C@]42C)OC(=O)CC[C@@]13C ZINC000238755343 JK Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C3[C@H]4C=C(C)[C@]3(C[C@H]12)C[C@@]41C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000238755391 JK Annotated Mild CC/C(Br)=C/C=C\C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 ZINC000238755402 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2O1 ZINC000238755446 JK Annotated Anodyne C=CCc1ccc(O)c(-c2ccc(O[C@]3(C)CC[C@]4(C)CC[C@@H](C(C)(C)O)C[C@H]4C3)c(CC=C)c2)c1 ZINC000238755467 JK Annotated Mild CCc1c(C)c2cc3[nH]c4c(cc/c(=N\O)c4c4cc(C)c(cc5[nH]c(cc1n2)c(C)c5CC)n4)c3C ZINC000238755483 JK Annotated Bother C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@H](C)O[C@H]1O[C@H]1/C=C(\C)CC/C=C(\C)CC[C@H]1C(C)C ZINC000238755515 JK Annotated Anodyne CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@@H](O)CC[C@@]12C ZINC000238755568 JK Annotated Anodyne COc1cc(Oc2cc3c(c(OC)c2)-c2ccc(O)cc2CC3)c2c(c1O)-c1ccc(O)cc1CC2 ZINC000238755576 JK Annotated Anodyne CC(C)=CCC1=C(O)[C@@]2(CCC(C)(C)O)C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)C(C)C)(C1=O)C2=O ZINC000238755670 JK Annotated Mild C=C(CCC[C@@H]1CC[C@H]2[C@@H](CC[C@H]3C=CC=C[C@@]32C)C1)CC[C@@H](OC(C)=O)[C@H](C)CCC[C@H](C)CC ZINC000238755697 JK Annotated Mild CC[C@@H]1Oc2oc(cc(=O)c2Br)CCC#CC/C=C\C/C=C/C[C@H]1Br ZINC000238755838 JK Annotated Reactive COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)CC[C@@H](C)CCOC(=O)/C=C/c1ccccc1 ZINC000238755869 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](C=C(C)C)c1c-2oc2cc(OC)c(/C=C/C(C)C)c(OC)c2c1=O ZINC000238755942 JK Annotated Anodyne COC(=O)/C=C(/C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccccc3)[C@H](O)C[C@]12C ZINC000238756010 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]1O[C@@]143 ZINC000238756083 JK Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/CC/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000238756086 JK Annotated Mild CC[C@H](C)CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C[C@H](C)CC)[C@]2(C)[C@H]1C(=O)O ZINC000238756269 JK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CC/C(C)=C/COC(=O)/C=C\c1ccccc1 ZINC000238756294 JK Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(C(=O)C(C)C)c2O)c(O)c1C ZINC000238756332 JK Annotated Anodyne CC1(C)CCc2c(O)cc(CCCCCCCCCCCCCC(=O)c3cc(O)cc(O)c3)cc2O1 ZINC000238756353 JK Annotated Anodyne C=C([C@H]1CC[C@@](C)(O)[C@@H](Br)C1)[C@H]1[C@H](Br)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000238756431 JK Annotated Reactive C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C(=O)O)CC[C@]12C ZINC000238756483 JK Annotated Anodyne O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC000238756539 JK Annotated Anodyne C=C1CC[C@H](C)C(C)(C)[C@H]1CC/C(C)=C/CC[C@@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238756561 JK Annotated Reactive CC(C)=CCC[C@H](C)/C=C/[C@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238756583 JK Annotated Reactive CC1=C(CC[C@H]2[C@H](C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC1=O ZINC000238756651 JK Annotated Mild CC[C@H](C)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@](O)(COC(C)=O)[C@H]3CC[C@]12C3 ZINC000238756698 JK Annotated Anodyne CC1(C)C=Cc2c(c3ccccc3c3oc4c(c(=O)c23)[C@H]2OC(C)(C)C(=O)O[C@@H]2c2ccccc2-4)O1 ZINC000238756820 JK Annotated Bother CC1=CC[C@@H]([C@H](C)[C@H]2CC[C@]3(C)C4=C(C=C(CCC(=O)O)C(=C(C)C)C=C4)CC[C@]23C)OC1=O ZINC000238756841 JK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CC/C(C)=C/COC(=O)/C=C/c1ccccc1 ZINC000238756844 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@@]1(C)CC[C@]2(C)[C@@H](C(C)C)CC[C@H]2[C@]1(C)CC3 ZINC000238756877 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC[C@@]4(C(=O)O)CC[C@@](C)(C(=O)O)C[C@@]4(C)[C@H]3CC[C@@H]12 ZINC000238756924 JK Annotated Anodyne C[C@H]1[C@H](C(=O)O)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@]12O ZINC000238756951 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(\C)CO)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)OC)[C@@H]12 ZINC000238757043 JK Annotated Mild C=C1CO[C@@]2(O)[C@H]1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)/C=C/C=C(C)/C=C/CCCCC)[C@@H]1C)[C@@H]2O ZINC000238757093 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(/C)CC(=O)/C=C(/C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000238757149 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000238757158 JK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]32)C1(C)C ZINC000238757226 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C(=O)O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238757348 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)cc(-c3cc4c(O)cc(O)cc4o3)c(CC=C(C)C)c2O1 ZINC000238757363 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000238757422 JK Annotated Reactive COc1cc(Br)c([C@H]2C(Br)=Nc3ccc(Br)cc32)c2cc[nH]c12 ZINC000238757473 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000238757491 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238757662 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@]4(C(=O)[C@@]3(C)CC[C@]12C)[C@@H](O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]14C ZINC000238757678 JK Annotated Anodyne C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H](C)C(=C)C/C=C(/C)C(C)C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000238757779 JK Annotated Mild C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@H]1CCC(=O)OC ZINC000238757865 JK Annotated Mild CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C ZINC000238757990 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(CO)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238758013 JK Annotated Anodyne CC1=C2[C@@H](C(=O)/C(C)=C3/C[C@@]4(C)C(=CC3=O)CCC[C@@H]4C)[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@]2(O)OC1=O ZINC000238758057 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45O[C@]4(CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238758065 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(CO)[C@H](CC[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000238758081 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)[C@@H]4O[C@@H](OC4=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000238758128 JK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238758201 JK Annotated Anodyne CC(=O)O[C@H]1C=C[C@@H]2[C@](C)(CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000238758473 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238758486 JK Annotated Mild C/C=C\O[C@@H]1CCc2ccc(O/C=C/C)c(c2)-c2cc(ccc2O/C=C/C)CC[C@H](O/C=C/C)C1 ZINC000238758492 JK Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](OC(=O)/C(C)=C/C)[C@]3(C2)[C@@H]1OC(C)=O ZINC000238758532 JK Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(Cl)=C\[C@@]12O[C@@H]1C=C[C@H](C)C2=O)OC ZINC000238758540 JK Annotated Mild CC1(C)C[C@H]2[C@H]3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23C[C@@H]1OC3=O ZINC000238758886 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000238759000 JK Annotated Clean COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(/C)CC/C=C(/C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000238759027 JK Annotated Mild CC(C)=CCc1cc2c(cc1O)Oc1cc(O)ccc1C1=C2C[C@H]2O[C@@H]3[C@H](C[C@@]2(C)O1)OC3(C)C ZINC000238759053 JK Annotated Anodyne CC(C)=CC[C@H](C)/C=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238759256 JK Annotated Reactive C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](C(C)(C)O)O[C@@H]3CC=C(C)[C@@]21C ZINC000238759374 JK Annotated Mild CC1=CC[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)/C=C\c1ccc(O)cc1 ZINC000238759375 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)/C=C/c1ccc(O)cc1 ZINC000238759387 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000238759401 JK Annotated Clean C=C(CC[C@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@H]1CC[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C ZINC000238759419 JK Annotated Mild CC1(C)CC[C@]23CC[C@]4(CO)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000238759427 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@@]5(C=O)CC[C@@](C)(C(=O)O)C[C@@]45C)[C@@H]3CC[C@@H]12 ZINC000238759481 JK Annotated Mild C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000238759489 JK Annotated Mild COC[C@]12CC[C@@H](C)[C@H](C)[C@H]1[C@]1(O)C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000238759545 JK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)C(C)C)C[C@@H]3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238759560 JK Annotated Mild CC1=C(CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@@H](O)CC[C@@]32C)C(C)(C)[C@@H]2CC[C@@](C)(O)[C@@H]2C[C@@H]1O ZINC000238759575 JK Annotated Anodyne C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@H]2C(C)=CC[C@H]3C(=C)[C@H](C(=O)O)CC[C@@]32C)[C@@]1(C)CCC(=O)O ZINC000238759673 JK Annotated Mild CC1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C)CC[C@H]1C ZINC000238759756 JK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1)C[C@H]1[C@](C)(CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]13C)O2 ZINC000238759934 JK Annotated Anodyne COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238760013 JK Annotated Anodyne C=C1[C@H]2C[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]([C@H](C)[C@@H](OC(=O)CC)C/C=C(\C)[C@H](OC(C)=O)C2)[C@@H]13 ZINC000238760096 JK Annotated Mild CC(=O)O[C@@H]1CN2CCC/C=C\CCCCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@@H]41)[C@@H]35 ZINC000238760212 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238760223 JK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H](O)/C=C(\C)CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000238760297 JK Annotated Reactive CC(=O)Oc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)c1 ZINC000238760366 JK Annotated Anodyne CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@]45OC[C@@]6(CCC(C)(C)C[C@H]64)C(=O)C[C@H]5[C@]3(C)CC[C@@H]12 ZINC000238760385 JK Annotated Anodyne COC(=O)c1ccc([C@H](C=C(C)C)c2c(OC)cc(O)c(C(=O)CCc3ccccc3)c2O)c(O)c1 ZINC000238760431 JK Annotated Anodyne CCC[C@@H](c1c2c(c(OC(C)=O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2)[C@@H](CC)C(=O)O ZINC000238760442 JK Annotated Anodyne COc1cc2c(c(C)c1-c1ccoc1)C[C@H]1[C@@]2(C)[C@H](O)[C@H](OC(C)=O)[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000238760445 JK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)C[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238760462 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)[C@H](O)C1 ZINC000238760473 JK Annotated Anodyne CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2CCC[C@H](C)[C@]23C)OC1=O ZINC000238760525 JK Annotated Anodyne COc1c(O)cc2c(c1CO)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@]12C ZINC000238760544 JK Annotated Mild C=C1[C@H]2CC[C@@]3([C@@H](OC(=O)/C(C)=C\C)C[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@@H]1OC(C)=O ZINC000238760567 JK Annotated Mild COc1cc(/C=C/C(=O)OCC[C@H](C)CC[C@H]2C(C)=CC[C@H]3C(C)(C)C[C@H](O)C[C@@]32C)ccc1O ZINC000238760571 JK Annotated Anodyne CC1(C)CC[C@@]2(CO)[C@@H](C1)C1=CC=C3[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O ZINC000238760677 JK Annotated Anodyne CC1=C2CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O[C@H]2c2ccccc2C1=O ZINC000238760718 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H]2[C@@]1(C)O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000238760788 JK Annotated Anodyne C[C@H]1C(=O)OC(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238760842 JK Annotated Reactive C[C@H]1c2ccoc2C[C@@H]2[C@@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000238760979 JK Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)/C1=C\C[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000238761210 JK Annotated Anodyne C/C(=C\Cc1ccccc1)CC[C@@]1(O)C[C@H]2C[C@H](C/C(C)=C/C/C=C/C/C(CC(=O)O)=C\C(=O)O2)O1 ZINC000238761221 JK Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)/C1=C/C[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000238761224 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3C(=CC[C@]12C)CC1=CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000238761290 JK Annotated Anodyne Cc1ccc([C@H](C)CC[C@H]2[C@H](C)C=C[C@@H]3[C@]2(C)CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)cc1 ZINC000238761299 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238761347 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C5=CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C1(C)C ZINC000238761544 JK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)[C@H](O)[C@H]1C1=CC=C3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 ZINC000238761605 JK Annotated Anodyne CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O ZINC000238761717 JK Annotated Mild C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@H](CCCC1=CC(=O)OC1)COS(=O)(=O)O ZINC000238761853 JK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000238761885 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]45O[C@@]4(CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238761889 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000238761938 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238761979 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238761995 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(C=O)C[C@@H]42)C(=O)C[C@]31C ZINC000238762184 JK Annotated Mild C[C@@H]1CC[C@@H](c2ccoc2)N2CC[C@]3(CS[C@]4(CC[C@H]5[C@H](C)CC[C@@H](c6ccoc6)N5C4)C3)C[C@@H]12 ZINC000238762193 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@]4(C)CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C ZINC000238762239 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(OC)cc3)CC(C)=CC[C@]21C ZINC000238762323 JK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@H](O)C[C@@]3(C)[C@]1(C)CC2 ZINC000238762364 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@H](CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C[C@@H](O)C(=O)OC ZINC000238762390 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238762420 JK Annotated Mild CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(COC(C)=O)COC(C)=O ZINC000238762511 JK Annotated Anodyne CCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(COC(C)=O)COC(C)=O ZINC000238762524 JK Annotated Anodyne CCC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(COC(C)=O)COC(C)=O ZINC000238762541 JK Annotated Anodyne CCC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(COC(C)=O)COC(C)=O ZINC000238762551 JK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC(=O)[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000238762552 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238762761 JK Annotated Mild CN(C)CCc1ccc2c(c1)O[C@]1(C)C[C@@H]3c4cc(CCN(C)C)ccc4OC(C)(C)[C@@H]3[C@H]2C1 ZINC000238762824 JK Annotated Anodyne CC[C@@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(OC)C[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000238762869 JK Annotated Mild CC(C)=C1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@@H]1CCC(=O)O ZINC000238762887 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](OC)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238763010 JK Annotated Anodyne C[C@H]1CC[C@@H](c2ccoc2)N2CC[C@]3(CS[C@]4(CC[C@@H]5[C@@H](C)CC[C@@H](c6ccoc6)N5C4)C3)C[C@@H]12 ZINC000238763247 JK Annotated Anodyne CC(C)=CCC/C(C)=C\Cc1c([C@@H]2CC(=O)c3c(cc4c(c3O)CCC(C)(C)O4)O2)ccc(O)c1O ZINC000238763274 JK Annotated Clean CC1=C(CC/C(C)=C/CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)OCc3ccccc3)OO2)C(C)(C)CCC1 ZINC000238763276 JK Annotated Reactive Cc1ccc(-c2ccc(O)cc2)c(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1 ZINC000238763289 JK Annotated Mild C=C(C)[C@@H](Cc1cc(OC)c(C)cc1O)C(=O)[C@H]1[C@]2(C)CCC[C@]2(C)[C@@]12C[C@H](O)C(C)(C)O2 ZINC000238763319 JK Annotated Mild CC(C)=CCC/C(C)=C/COc1c(C)c(O)c2c(c1C)Oc1ccccc1[C@@]21OCCCC(=O)O1 ZINC000238763401 JK Annotated Anodyne CCCCC[C@H](CCCCC[C@H](Cc1cc(OC(C)=O)cc(OC(C)=O)c1)OC(C)=O)OC(C)=O ZINC000238763528 JK Annotated Anodyne CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@@H]2CC[C@@]1(C)O ZINC000238763578 JK Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@@]2(O)CC(=O)c2ccc(-c3ccc(C#CC)s3)s2)[C@H]2C(=C)CC[C@@H]12 ZINC000238763861 JK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C=O)[C@H]3CC[C@]2(C)[C@H]1C ZINC000238763886 JK Annotated Mild C[C@@H]1CN2CCC[C@H]3CCCCCC[C@@H]4O[C@@H]5[C@H](CCCCCC[C@@H]1O[C@H]32)CCCN5C[C@H]4C ZINC000238763949 JK Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238763950 JK Annotated Mild C=CC(=C)CC[C@H]1[C@](C)(O)[C@H](O)C[C@H]2[C@@](C)(COC(=O)/C=C\c3ccc(O)cc3)CCC[C@@]21C ZINC000238763963 JK Annotated Mild C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C)CC[C@H]1C(=C)CC[C@H](C)C1(C)C ZINC000238763967 JK Annotated Mild CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]23O4)C1(C)C ZINC000238763971 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000238764011 JK Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@H]32)C1(C)C ZINC000238764074 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238764272 JK Annotated Anodyne CC1=C2[C@@H](OC(=O)[C@H](C)C3=C[C@]4(C)[C@@H](C)CCC[C@@H]4CC3=O)[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@@]2(O)OC1=O ZINC000238764287 JK Annotated Mild C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)OC(=O)/C=C/c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O ZINC000238764485 JK Annotated Reactive CO[C@H]1CC[C@@]2(C)[C@H](CC=C3C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238764491 JK Annotated Anodyne CC1(C)C=Cc2c(O)cc3c(c2O1)C1=C(O)C(=O)C(=CC1=O)CCCCCCCCCCCCCC3 ZINC000238764580 JK Annotated Mild CC1=C2C[C@@]3(C)[C@H](C)CCC[C@]34O[C@@H]4[C@@]2([C@@]23C=C4CCC[C@@H](C)[C@]4(C)CC2=C(C)C(=O)O3)OC1=O ZINC000238764610 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H](C(C)(C)O)/C(=C/CC(=O)O)CC4=CC[C@]23C)OC1=O ZINC000238764701 JK Annotated Anodyne C[C@@]12CC[C@]3(C)C(=C1C[C@](C)(C(=O)O)[C@H](O)C2)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC[C@]13C ZINC000238764725 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@H]5C[C@](C)(CO)[C@H](O)C[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000238764740 JK Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](O)[C@@H](OC(=O)/C=C\c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000238764757 JK Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C/COCCC(C)C)cc3[C@H]2OCCC(C)C)ccc1O ZINC000238764764 JK Annotated Anodyne C=C(C)[C@H](O)CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238764849 JK Annotated Reactive C=C(C)[C@@H]1CC=C2[C@@H](CC[C@@]3(C)[C@H]([C@H](CCC=C(C)C)C(=O)O)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000238764891 JK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@]4(C)CCC(C)(C)[C@H](O)[C@@H]4CC[C@@]32C)[C@@]1(C)CCC(=O)O ZINC000238764910 JK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238764944 JK Annotated Anodyne COC(C)(C)/C=C\C[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238764968 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C(=O)Cc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238764973 JK Annotated Clean C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCN(CCc2ccc(O)cc2)C1=O ZINC000238765135 JK Annotated Anodyne CC(=O)O[C@]12CCC(C)(C)C[C@@H]1[C@]1(C)CC[C@@]3(C)[C@H]4CCC(=O)[C@H](C)[C@@]4(C)CC[C@H]3[C@@]1(C)CC2 ZINC000238765152 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]23C)O1 ZINC000238765230 JK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](OC(C)=O)[C@@H]2C(C)C)cc1 ZINC000238765268 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CC/C=C(/C)[C@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238765279 JK Annotated Mild C=C[C@@](C)(CC/C=C(/C)CC/C=C(\C)[C@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238765293 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(/C)[C@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238765308 JK Annotated Mild C[C@@]1(c2ccc(O)cc2)Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2[C@@]1(C)c1cc(O)cc(O)c1 ZINC000238765362 JK Annotated Anodyne CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N=C3C ZINC000238765371 JK Annotated Anodyne C[C@@]12C=C[C@]3(CC[C@@H]4[C@](C)(CCC[C@@]4(C)COC(=O)/C=C/c4ccc(O)cc4)[C@H]3[C@@H](O)C1)C2 ZINC000238765399 JK Annotated Anodyne CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(OO)C2)C1=O ZINC000238765410 JK Annotated Reactive CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3cc(-c4cc(O)cc(O)c4)oc13)C[C@@H](O)C(C)(C)O2 ZINC000238765695 JK Annotated Anodyne CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1\C(=O)c2ccccc2C2=C1C(=O)CC(C)(C)O2 ZINC000238765726 JK Annotated Mild CC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@@H]([C@@]5(C)CCC(=O)O5)CC[C@]43C)[C@@]12C ZINC000238765773 JK Annotated Anodyne CNCCc1c(/C=C\[C@@]2(C)C[C@H](C=C(C)C)c3c(CCNC)c4ccccc4n32)[nH]c2ccccc12 ZINC000238765835 JK Annotated Anodyne O=C(O)CCC[C@H](/C=C\c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000238765928 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@H]5C[C@](C)(C(=O)O)[C@H](O)C[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000238765935 JK Annotated Anodyne CCCCCCCCCCCCCCCCOCCc1c(C)cc2c(c1C)C(=O)[C@](C)(CO)C2 ZINC000238765973 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC[C@@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238765979 JK Annotated Anodyne C/C=C1/CN2C=Cc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](C(=O)OC)[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000238765981 JK Annotated Anodyne C=C[C@H]1CN2CCc3c([nH]c4c(O)cccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000238765996 JK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H]7OC(C)(C)OC[C@@]7(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000238766035 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238766076 JK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@H](C)[C@H](C)[C@H]5C4=CC[C@]23C)C1(C)C ZINC000238766083 JK Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@H]1[C@H]3C[C@@]2(C)C[C@H]1c1c(c3c(C)cccc3oc1=O)O2 ZINC000238766086 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]2[C@]3(C)C[C@H](O)/C(=C4\CCC=C(C)C(=O)OC4)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O ZINC000238766191 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCCC(=O)O1 ZINC000238766194 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC(=O)[C@@H]5[C@]4(C)CC[C@@H](O)[C@@]5(C)CO)C[C@]3(C)CC[C@@H]12 ZINC000238766210 JK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000238766223 JK Annotated Mild COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)CC[C@@H](C)CCOC(=O)/C=C\c1ccccc1 ZINC000238766289 JK Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)[C@@H]2CC[C@H](C)[C@@]1(CC[C@@]1(C)[C@@H](C)CC[C@@H]3OC(C)(C)[C@]4(O)CC[C@@]31O4)O2 ZINC000238766312 JK Annotated Anodyne COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC/C(C)=C/COC(C)=O)[C@H]1CCC=C2C ZINC000238766339 JK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](O)C[C@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238766399 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=C[C@H]3C(=C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238766483 JK Annotated Mild C[C@@H]1CN(C)CC[C@H]1CC[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000238766517 JK Annotated Anodyne COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)CC(C)C ZINC000238766547 JK Annotated Anodyne C=C1C(=O)C[C@H]2OC(=O)[C@@]13CC[C@]1(C)[C@@H](CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]41C)[C@@H]23 ZINC000238766553 JK Annotated Mild CC1=C(CC[C@H]2[C@@H](C)CC[C@H]3OC(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C=C1 ZINC000238766571 JK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000238766671 JK Annotated Mild CC(C)=CCC[C@H](C)[C@]1(O)C(=O)[C@@H]2C(C)=C[C@H]1[C@@H]1[C@H]2C(C)=CC(=O)[C@@]1(O)[C@H](C)CCC=C(C)C ZINC000238766708 JK Annotated Mild COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(CCc4cccc(O)c4)cc(O)cc3OC)cc1-2 ZINC000238766759 JK Annotated Anodyne CC(C)C1=C2C3=C(C(=O)[C@]24CC[C@]2(C(C)C)C[C@H]42)[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C3=C(O)C1=O ZINC000238766772 JK Annotated Mild C[C@@H]([C@@H](C)O)[C@H]1C[C@]2(C=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=O)O1 ZINC000238766781 JK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C(=O)C[C@H]5C(C)(C)C(=O)CC[C@@]54C)C(=O)[C@@]3(C)CC[C@]12C ZINC000238766825 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238766931 JK Annotated Mild C/C=C(/C)C(=O)Oc1c(OC(C)=O)c(C)c(OC(C)=O)c(OC(C)=O)c1[C@H](C)CCC=C(C)C ZINC000238767046 JK Annotated Anodyne C1=C\CCCCCC[C@H]2CN3CC/C=C/C=C\CCCC[C@H]4C[C@H](CN(CC\C=C/1)C4)[C@H]2CC3 ZINC000238767148 JK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)C(C)C)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000238767253 JK Annotated Mild C=C[C@](C)(/C=C/[C@@H](C)CC[C@H](C)C(=C)CC[C@H](C)C(=C)C)CC[C@H](C)C(=C)CC[C@H](C)C(=C)C ZINC000238767316 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]56OO[C@@H](C[C@@H]4[C@@]3(C)CC[C@]12C)O6 ZINC000238767346 JK Annotated Reactive CC(C)(O)C(=O)CC[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238767350 JK Annotated Anodyne CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@H]12 ZINC000238767357 JK Annotated Mild C[C@H]1CN2CCC[C@@H]3CCCCCC[C@@H]4CCN5CCC[C@H](CCCCCC[C@H]1O[C@H]32)[C@H]5O4 ZINC000238767405 JK Annotated Anodyne O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000238767435 JK Annotated Anodyne C=C(CC/C=C(/C)CCC[C@@H](C)CCC(=O)[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1 ZINC000238767484 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(C)=CC[C@@]3(C)[C@H](C)/C=C2\C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O ZINC000238767577 JK Annotated Mild CC(C)=CCOC1=CC(O)=C(C(=O)CO)C(=O)[C@@]1(CC=C(C)C)C/C=C(\C)CC/C=C(\C)C=O ZINC000238767587 JK Annotated Reactive C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@@H]1[C@@]3(CO)CC[C@@]4(C)CC(=O)C(C)(C)C[C@H]4[C@]3(C)CC[C@@]21C ZINC000238767591 JK Annotated Anodyne [O-][N+]12CC/C=C\C=C/CCCCCC[C@@H]3CN4CC/C=C/C=C\CCCC[C@@H](C[C@H](C1)[C@H]3CC4)C2 ZINC000238767631 JK Annotated Bother C=C(C)[C@H](O)CC[C@@]1(C)CC[C@@H](O)C(C)=C1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000238767792 JK Annotated Mild CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@@H]2CC[C@@]1(C)O ZINC000238767821 JK Annotated Anodyne C/C1=C\C[C@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)c2cc(C)c(O)cc2/C(C)=C/C=C/[C@@H](C)C1 ZINC000238767866 JK Annotated Anodyne CC(=O)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)CC(=O)CC(C)C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000238767904 JK Annotated Anodyne CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC(C)C ZINC000238767986 JK Annotated Mild C/C=C(/C)C(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(=O)/C(C)=C\C)CC[C@@]4(C)[C@H]2CC[C@@H]1C3 ZINC000238768041 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(\C)CCC[C@H](C)[C@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238768072 JK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000238768185 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]([C@H](C)CCC[C@H](C)CO)[C@@H](OC(=O)/C=C\c2ccccc2O)[C@@H]1C(C)C ZINC000238768274 JK Annotated Anodyne C/C(=C\[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C(CC[C@H](O)C4(C)C)CC3=CC[C@]12C)C(=O)O ZINC000238768302 JK Annotated Anodyne CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@H]2[C@@]3(C=C(C(C)C)CC[C@H]3C)CC[C@]12C ZINC000238768390 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC[C@@H]2C1(C)C ZINC000238768484 JK Annotated Anodyne COc1cccc2[nH]c3c(-c4c(O)c(C)cc5c4[nH]c4cccc(OC)c45)c(O)c(C)cc3c12 ZINC000238768497 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@H](CC=C3C[C@@]4(C)CC[C@H]5C(C)(C)[C@@H](OC)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238768508 JK Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238768512 JK Annotated Mild CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238768544 JK Annotated Anodyne CCOC(=O)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C=C3[C@H](OC(C)=O)C[C@H]21 ZINC000238768612 JK Annotated Anodyne CCCCO[C@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000238768642 JK Annotated Anodyne CC1=C(C)[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@H]2CC1=O ZINC000238768733 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(CO)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238768805 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)C[C@@]2(O)CCC(=O)OC(C)(C)[C@@H]2CC4)OC1=O ZINC000238768861 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2C4=C(CCC(C)(C)C4)C(=O)C[C@]23C)C1(C)C ZINC000238768895 JK Annotated Mild COc1cc(-c2c(OC)cc3c(c2O)-c2ccc(O)cc2CC3)c2c(c1O)-c1ccc(O)cc1CC2 ZINC000238768974 JK Annotated Anodyne COc1ccc(C(=C2C=CC(=O)C=C2)c2c(C#Cc3ccc(O)cc3)cccc2-c2ccccc2)cc1 ZINC000238769064 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238769076 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C[C@@H](O)C(=O)O ZINC000238769100 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=CC(=O)CC2(C)C)[C@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000238769125 JK Annotated Mild Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1[C@H]3C[C@]2(C)C[C@H]1c1c(c3c(C)cccc3oc1=O)O2 ZINC000238769144 JK Annotated Anodyne C/C(=C/CC/C=C(\C)CC/C=C(/C)CC[C@H](O)C(C)(C)O)CC/C=C(/C)[C@H](O)C[C@H](O)C(C)(C)O ZINC000238769160 JK Annotated Anodyne COc1ccc([C@@H](C)C(=O)c2ccc(O[C@@]3(C)CC[C@@H](C(C)C)[C@@H]4C=C(C)CC[C@H]43)cc2O)cc1 ZINC000238769171 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1NC3 ZINC000238769208 JK Annotated Anodyne COC(=O)CC[C@@]1(C)[C@H](C(C)=O)CC=C2[C@@H]1CC[C@@]1(C)[C@H]([C@@H](C)CC(=O)CC(C)C)CC[C@]21C ZINC000238769304 JK Annotated Anodyne CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(C(=O)O)CO[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000238769321 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000238769326 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCCC(=O)O)[C@H](C(=C)C)CC[C@]12C ZINC000238769660 JK Annotated Mild CC1=C(CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C)(C)[C@@H]2CC[C@@](C)(O)[C@@H]2CC1=O ZINC000238769811 JK Annotated Mild CC1(C)C(=O)C=C[C@]2(C)[C@@H]3CC[C@]45OC[C@@]6(CC[C@](C)(C(=O)O)C[C@@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000238769834 JK Annotated Mild C=CC(=C)CC[C@H]1[C@](C)(O)[C@H](O)C[C@H]2[C@@](C)(COC(=O)/C=C/c3ccc(O)cc3)CCC[C@@]21C ZINC000238769852 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@H](CC(=O)C=C(C)C)C(=O)OC)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000238769963 JK Annotated Mild C1=C\Cc2ccc[n+](c2)CCCCCCCCCCCCCCc2ccc[n+](c2)CCCCCCC/1 ZINC000238770002 JK Annotated Anodyne C1=C\CCc2ccc[n+](c2)CCCCCCCCCCCCCCc2ccc[n+](c2)CCCCCC/1 ZINC000238770026 JK Annotated Anodyne CO[C@H](c1ccc(O)cc1)[C@@H]1c2cc(O)cc(O)c2[C@H](c2cc(O)cc(O)c2)[C@H]1c1ccc(O)cc1 ZINC000238770031 JK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1c2cc(O)cc(O)c2[C@H](c2cc(O)cc(O)c2)[C@H]1c1ccc(O)cc1 ZINC000238770038 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)c2ccc(OC)cc2)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000238770073 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@]1(O)C(=O)[C@H]2C(C)=C[C@@H]1[C@@H]1[C@H]2C(C)=CC(=O)[C@@]1(O)[C@H](C)CCC=C(C)C ZINC000238770088 JK Annotated Mild CC(=O)Oc1cc(C)c2c(c1)C[C@H]1[C@@](C)(CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]13C)O2 ZINC000238770135 JK Annotated Anodyne C[C@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@H]3C[C@@H]2C[C@H]2c3c(c4ccccc4n31)CCN2C ZINC000238770164 JK Annotated Anodyne CC1(C)C=Cc2c(c3c(c4oc(-c5cc(O)cc(O)c5)cc24)C=C[C@](C)(CC[C@@H](O)C(C)(C)O)O3)O1 ZINC000238770253 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(\C)CC/C=C\[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238770288 JK Annotated Mild CC1=C(C)[C@@]2(C=O)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@H]2CC1=O ZINC000238770291 JK Annotated Mild C/C1=C\[C@@H]2[C@@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000238770318 JK Annotated Anodyne C/C1=C/[C@@H]2[C@@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000238770331 JK Annotated Anodyne C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C)CC[C@H](C)[C@H](C)CC[C@H](C)C(C)C ZINC000238770369 JK Annotated Mild C=CCCCC/C=C/C#CCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000238770446 JK Annotated Mild C/C(Oc1cc(C)c2c(c1)CCC=C2C(=O)O)=C(/C)Oc1cc(C)c2c(c1)CCC=C2C(=O)O ZINC000238770589 JK Annotated Anodyne COC1=C[C@@H]2OC=C(c3ccc(OCC=C(C)C)c(OCC=C(C)C)c3)C(=O)[C@@H]2C(OC)=C1 ZINC000238770592 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000238770616 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000238770667 JK Annotated Mild COC(=O)[C@@]1(C)CC[C@@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238770764 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12CO ZINC000238770791 JK Annotated Anodyne Cc1coc2c3c4c(c(C)c12)[C@@H](C)CC[C@H]4[C@@H](O)[C@@](C)(C1=C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C)O3 ZINC000238770908 JK Annotated Mild CC(=O)O[C@@H](C/C=C1/CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)OC1=O)C1=CC(=O)OC1 ZINC000238770946 JK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000238770952 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(C)CC[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)OC6 ZINC000238770974 JK Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000238771022 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)O)CC3=CC(=O)[C@@H]12 ZINC000238771039 JK Annotated Mild CCC1=C([C@]2(C)C=C(C)[C@@H](C(C)=O)C2)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000238771064 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O ZINC000238771130 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@]21C(=O)O ZINC000238771216 JK Annotated Anodyne CCCCCCCC1=CC(=O)C=C(OC)[C@@]12C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c12 ZINC000238771223 JK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)c4c(c3c(=O)c21)OC(C)(C)[C@@H](O)C4 ZINC000238771257 JK Annotated Mild COC(=O)/C(C)=C(\C(=O)c1cc(C(C)C)ccc1C)c1cc(C)c2cc(C(C)C)ccc(C)c1-2 ZINC000238771262 JK Annotated Mild COC(OC)c1c(C(C)C)cc2c(c1C)C(=O)C(c1cc(C)c3cc(C(C)C)ccc(C)c1-3)=C2C ZINC000238771277 JK Annotated Mild CC1=C([C@@]2(C)CC(=O)c3c(C)cc(C(=O)C(C)C)cc32)C(=O)c2c(C)cc(C(=O)C(C)C)cc21 ZINC000238771291 JK Annotated Mild CC1(C)C=C[C@H]2/C(=C3/C(=O)c4ccccc4C4=C3C(=O)CC(C)(C)O4)C(=O)c3ccccc3[C@H]2O1 ZINC000238771412 JK Annotated Mild CC1(C)C=C[C@H]2/C(=C3\C(=O)c4ccccc4C4=C3C(=O)CC(C)(C)O4)C(=O)c3ccccc3[C@H]2O1 ZINC000238771425 JK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)[C@@H]2CC(C)(C)CC[C@]12C ZINC000238771624 JK Annotated Anodyne CC1=CC[C@@H](C)C(C)(C)[C@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238771658 JK Annotated Reactive CC1=C[C@H]2[C@@H]([C@@H](c3[nH]c4ccccc4c3CCO)[C@]34CCN(C)[C@]23Nc2ccccc24)C(C)(C)C1 ZINC000238771679 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)[C@H](O)C1 ZINC000238771728 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@]4(C)CCC(C)(C)[C@H](O)[C@@H]4CC[C@@]32C)[C@@]1(C)CCC(=O)O ZINC000238771921 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238771925 JK Annotated Mild COc1cc(O)c2c(c1)CCc1cc(Oc3cc(OC)c(O)c4c3CCc3cc(O)ccc3-4)ccc1-2 ZINC000238771944 JK Annotated Anodyne CCCCCCCCCCC(=O)Oc1ccc2c(c1)O[C@H](c1ccc(O)cc1)C(OC[C@H](O)CN)=C2 ZINC000238772101 JK Annotated Mild C=C1[C@@H]2CC3=C(CC[C@@H]4C(C)(C)C(=O)CC[C@]34C)[C@]2(C)CC[C@@H]1[C@H](C)CC/C=C(/C)C(=O)O ZINC000238772152 JK Annotated Mild CC1(C)C=C[C@H]2/C(=C3/C(=O)c4ccc(O)cc4C4=C3C(=O)CC(C)(C)O4)C(=O)c3ccccc3[C@H]2O1 ZINC000238772162 JK Annotated Mild CC1(C)C=C[C@H]2/C(=C3\C(=O)c4ccc(O)cc4C4=C3C(=O)CC(C)(C)O4)C(=O)c3ccccc3[C@H]2O1 ZINC000238772167 JK Annotated Mild C=C(C)[C@]12CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]1CC[C@@H](OC)O2 ZINC000238772223 JK Annotated Mild C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)N(CCc2ccc(O)cc2)C1 ZINC000238772249 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC(=O)[C@]2(O)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1 ZINC000238772258 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C(C)=O)CC[C@]23C)C1(C)C ZINC000238772378 JK Annotated Anodyne C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C\CC1)CO4)C3=O ZINC000238772386 JK Annotated Reactive C=C1CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](Cc5cc(O)c(O)cc5O)[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000238772430 JK Annotated Mild C=C(C)CCCC(=C)CCCC(=C)CCO[C@H]1[C@H](C)CC[C@@H]2[C@@H](C)CC[C@@H]3[C@H](C)C(=O)O[C@@]123 ZINC000238772439 JK Annotated Mild CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000238772451 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)C[C@H]1O ZINC000238772571 JK Annotated Anodyne CC(=O)O[C@@H]1CN2CCC/C=C\CCCCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@H]41)[C@@H]35 ZINC000238772632 JK Annotated Anodyne C1=C\CCCCN2C[C@H]3CC[C@@H]2CCCC/C=C\CCCCN2CC[C@H]3[C@H](CCCCCC/1)C2 ZINC000238772646 JK Annotated Anodyne CO[C@H](c1ccc(O)cc1)[C@@H]1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1 ZINC000238772669 JK Annotated Anodyne C#C[C@@H](O)/C=C\CCCCCCCCCC#CCCCCCCCCCCC[C@H](O)C#CC#COC ZINC000238772700 JK Annotated Mild Cc1c(O)cc2c(c1C)CC=C1[C@]2(C)C[C@]2(C)[C@H]3C[C@@](C)(C(=O)O)C(=O)C[C@@]3(C)CC[C@@]12C ZINC000238772712 JK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCC#CCCCCCCCCCCC[C@H](O)C#CC#COC ZINC000238772719 JK Annotated Mild C[C@H](C[C@@H](C)C(=O)/C=C(\O)c1[nH]c(Cl)c(Cl)c1Cl)C[C@@H](C)C1=N[C@](C)(C(=O)O)CS1 ZINC000238772730 JK Annotated Mild CC1(C)[C@H](O)[C@@H](O)C[C@H]2[C@@]1(C)C(=O)C[C@@]1(C)[C@]3(C)CC[C@]4(C)CC[C@@](C)(C(=O)O)CC4=C3C=C[C@]21C ZINC000238772737 JK Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)C5=C(CC[C@]4(C)[C@@H]13)C[C@@]13CC[C@@H](O1)C(C)(C)[C@@H]3CC5)O[C@@H]2C(C)(C)O ZINC000238772817 JK Annotated Anodyne CC(C)[C@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]3(OO1)O2 ZINC000238772924 JK Annotated Reactive CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13CO[C@@]4(CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@H]12)C3 ZINC000238772930 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(CO)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238773006 JK Annotated Anodyne CC(=O)O[C@@]12C(=O)C(=O)C(=C(O)C1=O)C/C=C(/C)CC/C=C(\C)CC/C=C(\C)C[C@@H]2C=C(C)C ZINC000238773081 JK Annotated Mild CCC[C@@]1(C)[C@@H](C(C)C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3O[C@H](C(C)(C)O)CC[C@@]3(OC)CC[C@]12C ZINC000238773097 JK Annotated Anodyne COC(=O)[C@]1(C)[C@H]2CC[C@]3(C)/C(=C(C)/C=C/C=C(C)/C=C/C=C(C)C)C(=O)C[C@H]3[C@]2(C)CC[C@H]1O ZINC000238773102 JK Annotated Mild Cc1coc(C[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]([C@H](C)CO)[C@@]5(CCC(=O)O)C[C@@]45CC[C@]23C)c1 ZINC000238773316 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238773330 JK Annotated Mild C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)C/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238773364 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C=O)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000238773366 JK Annotated Mild C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000238773422 JK Annotated Mild C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CCC(=C)C(C)C ZINC000238773549 JK Annotated Mild COC(=O)[C@H](C[C@@H](O)/C(C)=C/CC=C(C)C)c1cc(O)cc(C/C=C(\C)CCC=C(C)C)c1O ZINC000238773625 JK Annotated Anodyne CC1=CCC([C@@H](C)CC[C@H]2[C@@](C)(O)CC[C@@H]3[C@]2(C)CC[C@H]2[C@]3(C)CC[C@@H]3C(C)(C)CCC[C@@]32C)=CC1 ZINC000238773776 JK Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000238773777 JK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)CC[C@]4(C1=O)C(=O)[C@@](C(=O)C(C)C)(C2=O)C3(C)C ZINC000238773779 JK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2C[C@H]3CCCCN3[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000238773846 JK Annotated Anodyne O=C1CCN2CC[C@H]3[C@@H]4CCCCCC/C=C\CCN5CC(=C[C@@H]3C5)CCCCCCC[C@H]1[C@H]42 ZINC000238774016 JK Annotated Anodyne COC1(OC)C(OC(C)=O)=C(CC=C(C)C)C(=O)C(C/C=C(\C)CCC=C(C)C)=C1OC(C)=O ZINC000238774164 JK Annotated Mild C=C(C)[C@H](O)CC[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H](Cc3c(O)c(C)c(C)oc3=O)C(=C)CC[C@H]21 ZINC000238774259 JK Annotated Mild C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O ZINC000238774290 JK Annotated Mild CCCCOC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)OC ZINC000238774295 JK Annotated Anodyne CC1(C)C[C@@H]([C@H]2CC(C)(C)OC3=C2C(=O)c2ccccc2C3=O)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000238774297 JK Annotated Mild CC1(C)C=Cc2c(O)cc3c(c2O1)Oc1cc(O)cc(c1)CCCCCCCCCCCCCC3 ZINC000238774486 JK Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C3[C@H]4C=C(C)[C@]3(C[C@H]12)C[C@@]41C(=O)O[C@@H]2[C@H](C)[C@H]3CCC[C@H](C)C3=C[C@@H]21 ZINC000238774591 JK Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(Cl)=C/[C@@]12O[C@@H]1CC=C(C)C2=O)OC ZINC000238774749 JK Annotated Mild COc1c(C)c(O)c(C[C@]2(C)C(O)=C(C)C(=O)C(C(=O)CC(C)C)=C2O)c(O)c1C(=O)CC(C)C ZINC000238774830 JK Annotated Mild COc1c2c(c(C)c3c(C)c(Cc4c5c(C)cccc5c(OC)c5occ(C)c45)oc13)[C@@H](C)CC=C2 ZINC000238774844 JK Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1[C@@H]3C[C@]2(C)C[C@H]1c1c(c3c(C)cccc3oc1=O)O2 ZINC000238774857 JK Annotated Anodyne CC1(C)O[C@@H]1[C@@H]1CC([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)C=CC(=O)OC(C)(C)[C@@H]3CC(=O)[C@]24C)=CO1 ZINC000238774937 JK Annotated Anodyne COC(OC)[C@@]1(C)CC[C@H]2[C@]1(C)CC[C@H]1[C@@](C)(Cc3cc(C(=O)O)ccc3O)[C@@H](C)CC[C@]12C ZINC000238775096 JK Annotated Anodyne COc1cc2oc(=O)ccc2cc1[C@@H]1C=C(C)CC[C@]1(C)/C=C/c1c(OC)ccc2ccc(=O)oc12 ZINC000238775142 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C ZINC000238775176 JK Annotated Mild CC(=O)OCC[C@@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(COC(C)=O)=CCC[C@H]12)COC(C)=O ZINC000238775318 JK Annotated Anodyne C=C/C=C(\C)CC[C@@H]1C/C=C\C=C(\C)[C@H](O)CCC/C=C\C=C/C=C/[C@@H](O)[C@H](C)C(=C)CC(=O)O1 ZINC000238775319 JK Annotated Mild O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1c1ccccc1 ZINC000238775340 JK Annotated Anodyne CC(C)=CCOc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2OCC=C(C)C)C=CC(C)(C)O4)cc1 ZINC000238775492 JK Annotated Anodyne C=C(C)O[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1 ZINC000238775574 JK Annotated Mild COc1cc(C[C@@H](CCCCCCCCCCCOC(C)=O)OC(C)=O)cc(OC(C)=O)c1 ZINC000238775628 JK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1 ZINC000238775749 JK Annotated Anodyne CCCC(=O)C1=C(O)C(C)(C)C(O)=C(CCC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CO)C1=O ZINC000238775808 JK Annotated Mild CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC3 ZINC000238775833 JK Annotated Anodyne COC(=O)CC[C@@]1(C)[C@H](C(C)C)CC[C@@]2(C)C3=CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@@]3(C)CC[C@H]12 ZINC000238776054 JK Annotated Anodyne COc1cccc2c1Oc1cccc(c1)CC(=O)c1cc(OC)c(OC)c(c1)Oc1ccc(cc1)CC2 ZINC000238776072 JK Annotated Anodyne C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C ZINC000238776122 JK Annotated Mild CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000238776137 JK Annotated Anodyne C/C=C/CCc1c(C)c(-c2c(C)c(CC/C=C/C)c(OC)c3occ(C)c23)c2c(C)coc2c1OC ZINC000238776179 JK Annotated Anodyne C/C(=C\CC/C(C)=C/C/C=C/[C@@](C)(O)CC/C=C(\C)CCC=C(CO)CO)CCC=C(CO)CO ZINC000238776235 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]23C(=O)O[C@@H](C[C@@]4(C)CCC(C)(C)C[C@H]42)[C@]13C ZINC000238776272 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@]2(C(=O)O)[C@@H](/C=C(\C)[C@@H]3CC[C@@H](C(=O)O)CC3)C=C(C)C[C@H]2C1 ZINC000238776378 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CCC=C(C)C)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)OC)[C@@H]12 ZINC000238776403 JK Annotated Mild CC(C)C[C@H]1C2=C(O[C@H]3[C@H]4[C@H](CC[C@@]5(C)O[C@@H]5CC[C@]31C)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O ZINC000238776438 JK Annotated Mild C/C(C[C@@H]1CC(C)(C)O[C@@H]2c3ccccc3N(C)C(=O)[C@@H]21)=C1/C[C@H]2C(=O)c3ccccc3N(C)[C@@H]2O1 ZINC000238776452 JK Annotated Anodyne C=C/C(C)=C/C[C@H]1C(C(=O)OCc2ccc(Br)cc2)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000238776585 JK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1)C2(C)C ZINC000238776615 JK Annotated Anodyne COC(=O)[C@]1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C=O)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238776719 JK Annotated Mild CC(=O)[C@@]1(CC2=C[C@]3(C)CCC[C@](C)(C(=O)O)[C@@H]3C=C2)CC[C@@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@@]2(C)[C@@H]1C ZINC000238776720 JK Annotated Anodyne CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)C(C)C)(C1=O)C2=O ZINC000238776772 JK Annotated Mild C=C1CC[C@@H]2[C@@H](c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C ZINC000238776779 JK Annotated Mild CC[C@@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)C1(C)C)C2=O ZINC000238776792 JK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC[C@]13C ZINC000238776868 JK Annotated Anodyne CC(=O)/C=C\C(=O)/C(C)=C/C=C\C(C)=C1\C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000238777018 JK Annotated Mild C/C(=C\C=C/C(C)=C1/C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C)c1ccc(C)c(=O)o1 ZINC000238777044 JK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C1/C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000238777067 JK Annotated Mild C/C(=C\CC[C@@H](C)[C@]1(C)C[C@H]2O[C@@]23[C@@]1(C)CCC(=O)[C@@]31CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)C(=O)O ZINC000238777082 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@]1(C)C[C@H]2O[C@@]23[C@@]1(C)CCC(=O)[C@@]31CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C(=O)O ZINC000238777091 JK Annotated Anodyne C=C(C)[C@@H]1C=C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000238777225 JK Annotated Mild CC(C)=C/C=C/C(C)=C/[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000238777307 JK Annotated Anodyne CCC(=O)N[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N(C)[C@H](C[C@@H](C)C(Cl)Cl)c1nccs1 ZINC000238777360 JK Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@H](C)[C@H]2OCC(C)C ZINC000238777398 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1/C=C/[C@@]1(C)C[C@@H](C)C=C[C@H]1c1c(OC)ccc2ccc(=O)oc12 ZINC000238777413 JK Annotated Anodyne CNC(=O)c1c(N(C)C=O)ncn1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(=O)C=C(C)C ZINC000238777453 JK Annotated Mild C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@@H](C)/C(C)=C\C[C@@H](C)C(=C)C ZINC000238777458 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@](C)(C(C)C)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238777509 JK Annotated Mild C=C1Cc2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC(=O)/C(C)=C\C)C[C@@H]1C ZINC000238777519 JK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000238777547 JK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/C(C)=C/C[C@H](C)N=C)OC)OC)OC)OC ZINC000238777660 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000238777848 JK Annotated Mild OC1=CC([C@@H]2c3c(/C=C/c4ccc(O)cc4)cc(O)cc3O[C@H]2c2ccc(O)cc2)=C[C@@H](O)C1 ZINC000238777853 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@@](C)(C=O)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238777921 JK Annotated Mild COC(=O)C[C@H](C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](OC(=O)/C=C\c3ccccc3)[C@H](O)C[C@]12C ZINC000238777960 JK Annotated Anodyne CC[C@@]1(C)CC[C@H]([C@H](C)CCC[C@H](C)CO)[C@@H](OC(=O)/C=C/c2ccccc2O)[C@@H]1C(C)C ZINC000238778099 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C=O)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238778126 JK Annotated Mild CO[C@@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)[C@@H](C)C(=O)CC(N)=O ZINC000238778207 JK Annotated Anodyne CC(C)=CCc1c(C)c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(O)c(C/C=C(\C)CO)c1C2 ZINC000238778248 JK Annotated Anodyne CC(C)=CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC[C@H](C)CCOC(=O)CC(=O)O)[C@@](C)(O)CC[C@H]12 ZINC000238778269 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238778350 JK Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)OC ZINC000238778420 JK Annotated Mild O[C@@H]1CCCC/C=C\CCCC[C@H]2CN3CCCC/C=C\CCCC[C@@H]4C[C@@H](CN(C1)C4)[C@@H]2CC3 ZINC000238778439 JK Annotated Anodyne O[C@@]12CCCCCC[C@@H]3CCN4CCC[C@H](CCCCCC[C@H]5CCN(CCC1)[C@@H]2O5)[C@H]4O3 ZINC000238778744 JK Annotated Anodyne COc1cc(/C=C\C(=O)OCC[C@H](C)CC[C@H]2C(C)=CC[C@H]3C(C)(C)C[C@H](O)C[C@@]32C)ccc1O ZINC000238778749 JK Annotated Anodyne Cc1c2c(c(O)c3c1[C@@]1(C)Oc4c5c(c(C)c6c(C)coc46)[C@@H](C)CC[C@@H]5[C@H]1O3)CCC[C@@H]2C ZINC000238778761 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000238778964 JK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)OC(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000238779177 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000238779195 JK Annotated Mild C[C@H]1CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)/C1=C\C[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000238779296 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@]24OC[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]43C)C1(C)C ZINC000238779330 JK Annotated Anodyne CC1(C)CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2[C@]45CC[C@H](OC4=O)C(C)(C)[C@H]5CC[C@@]23C)[C@H]1O ZINC000238779352 JK Annotated Anodyne C[C@@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@]13C=C[C@](COC(=O)/C=C/c4ccccc4)(CC[C@H]12)C3 ZINC000238779411 JK Annotated Anodyne CC1=CC[C@H]([C@H](C)[C@@H]2CC[C@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O ZINC000238779446 JK Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@@H](OC(=O)/C(C)=C\C)C[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]3C2)[C@@H]1OC(C)=O ZINC000238779461 JK Annotated Mild CC[C@@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)OC)[C@H]2CCC=C(C)[C@]12C ZINC000238779478 JK Annotated Anodyne C=C1CC/C=C(/COC/C2=C/CCC(=C)[C@H]3CC(C)(C)[C@@H]3CC2=O)C(=O)C[C@@H]2[C@@H]1CC2(C)C ZINC000238779548 JK Annotated Mild CCCCCCCCCC[C@@H](CCC[C@@H](O)/C=C/C1=CC(O)=C(OC)C(=O)C1)C1=CCC(=O)C=C1 ZINC000238779604 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238779661 JK Annotated Mild CC1(C)C[C@H]2[C@H]3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C=C[C@@]2(CO)[C@H](O)C1 ZINC000238779676 JK Annotated Anodyne C=C1C(=O)C[C@@H]2[C@H](CC2(C)C)C(=C)CC[C@@H]1OC/C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O ZINC000238779747 JK Annotated Mild COc1cc(/C=C/C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](OC(C)=O)[C@@H]2C(C)C)ccc1OC(C)=O ZINC000238779855 JK Annotated Anodyne CC(=O)O[C@@]12C(=O)C(=O)C(=C(O)C1=O)C/C=C(\C)CC/C=C(\C)CC/C=C(\C)C[C@@H]2C=C(C)C ZINC000238779932 JK Annotated Mild C/N=c1/ncn(C)c2ncn(C/C=C(\C)CC[C@]3(C)[C@@H]4CCCC(C)(C)[C@]4(O)CC[C@H]3C)c12 ZINC000238779971 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3C1 ZINC000238779986 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C ZINC000238779987 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CC/C=C\[C@H](O)C(=O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238780030 JK Annotated Mild C=C[C@@](C)(CC/C=C(/C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238780035 JK Annotated Mild C=C[C@@](C)(CC/C=C(/C)CCC[C@H](C)[C@@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238780045 JK Annotated Mild C=C[C@@](C)(CC/C=C(/C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238780053 JK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CC/C=C(\C)C=O ZINC000238780074 JK Annotated Reactive C=C(C)[C@@H]1C=C[C@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@]13CCC(=O)OCC ZINC000238780103 JK Annotated Mild CC/C=C/CCCCCCCOC(=O)CCCCCCCCCCC[C@H]1COC(=O)C(=O)O1 ZINC000238780132 JK Annotated Anodyne CC(C)=CC[C@H](C)/C=C/C[C@@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238780218 JK Annotated Reactive C[C@H]1C[C@@H]2CC3=C(CC[C@@H](c4cnc5c(c4)[C@]46C[C@@H](C)C[C@H](C5)[C@@H]4CCCN6)N3)[C@@]3(C1)NCCC[C@@H]23 ZINC000238780245 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238780270 JK Annotated Anodyne C/C(=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CC/C=C(\C)CO ZINC000238780276 JK Annotated Reactive C/C(=C/CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO ZINC000238780285 JK Annotated Reactive C/C(=C/CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O)CO ZINC000238780292 JK Annotated Reactive C#C[C@H](O)CCCCCCCCCC[C@H](C)CCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000238780317 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13CO[C@@]4(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@H]12)C3 ZINC000238780575 JK Annotated Anodyne C[C@@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@]13C=C[C@](COC(=O)/C=C\c4ccccc4)(CC[C@H]12)C3 ZINC000238780585 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](O)([C@@H](C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)OC2=O)[C@@H]3C1 ZINC000238780660 JK Annotated Anodyne CO/C(=C/C(N)=O)[C@@H](C)[C@@H](/C=C/c1csc(-c2csc([C@H](C)/C=C\C=C\C(C)C)n2)n1)OC ZINC000238780687 JK Annotated Anodyne COC(=O)C[C@@]12C(=O)C=C(C/C=C(\C)CCC=C(C)C)C(=O)[C@H]1CC=C(C)[C@H]2CC=C(C)C ZINC000238780745 JK Annotated Mild CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC(COC(C)=O)COC(C)=O ZINC000238780747 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2[C@@]13CO[C@@H](C3)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238780790 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(/C)CC/C=C(/C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238780838 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(/C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238780846 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000238780850 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000238780856 JK Annotated Anodyne C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C ZINC000238780859 JK Annotated Reactive COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000238780864 JK Annotated Anodyne C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C ZINC000238780869 JK Annotated Reactive C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C ZINC000238780876 JK Annotated Reactive C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)/C=C\c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000238780887 JK Annotated Anodyne CCCCCCC[C@@H](C/C=C\CCC(=O)NC/C(=C/Cl)C1=CCC[C@@H](OC(C)=O)C1=O)OC ZINC000238780890 JK Annotated Mild C[C@]1(c2cc(O)cc(O)c2)c2c(/C=C\c3ccc(O)cc3)cc(O)cc2O[C@]1(C)c1ccc(O)cc1 ZINC000238780998 JK Annotated Anodyne Oc1ccc([C@@H]2c3cc(O)cc(O)c3[C@H]3[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]23)cc1 ZINC000238781013 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@](C)(O)CC(=O)C=C(C)C)CC[C@]42C)OC(=O)C[C@@]13C ZINC000238781068 JK Annotated Mild CCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C(=O)OC)C[C@H]1OC(=O)C(C)C ZINC000238781116 JK Annotated Mild COC(C)(C)/C=C\C[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H](O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238781136 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OC(=O)C(C)C ZINC000238781234 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(C=O)[C@H]6CC[C@]54C)(OC2=O)[C@@H]3C1 ZINC000238781337 JK Annotated Mild O=C(O)CCC[C@@H](/C=C\c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000238781373 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@H](/C=C(C)/C=C/CC(C)C)[C@]32COC(=O)C2)C1(C)C ZINC000238781379 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(/C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)O)[C@@H]12 ZINC000238781391 JK Annotated Reactive C=C(C)[C@@H]1CC=C2[C@@H](CC=C3[C@@]2(C)CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O ZINC000238781429 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238781588 JK Annotated Anodyne CO[C@H]1C=C(CCC[C@H](CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)O)C(=O)O1 ZINC000238781609 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@]2(C)[C@@H](CC[C@]13C)C(C)(C)[C@@H](O)C[C@H]2O ZINC000238781675 JK Annotated Anodyne C[C@@]12CCC[C@@](C)(COC(=O)CCc3ccc(O)cc3)[C@H]1CC[C@]13C=C(CO)[C@H](CC[C@@H]21)C3 ZINC000238781843 JK Annotated Anodyne CC[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@@]3(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@H]1C[C@@H](O)C(=O)O ZINC000238781847 JK Annotated Anodyne CC1(C)C2=CC[C@H]3[C@@](C)(CC[C@@]4(C)C[C@](C)(CC[C@@H](O)C(C)(C)O)CC[C@]34C)[C@@H]2CC[C@@H]1O ZINC000238781852 JK Annotated Anodyne CC(=O)Oc1cc(C)c(OC(C)=O)c(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c1 ZINC000238781876 JK Annotated Anodyne C=C(CC/C=C(/C)CC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1 ZINC000238781878 JK Annotated Mild CC1(C)C=C(c2c3c(c4ccccc4c2O)OC(C)(C)C=C3)c2cc(O)c3ccccc3c2O1 ZINC000238781891 JK Annotated Anodyne C=C(C)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C ZINC000238781894 JK Annotated Mild CC(C)=CCOC1=CC(O)=C(C(=O)CO)C(=O)[C@@]1(CC=C(C)C)C/C=C(\C)CC/C=C(/C)CO ZINC000238781954 JK Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H](O[C@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)O[C@H](C)[C@H](O)[C@@H]1OC(C)=O ZINC000238782005 JK Annotated Anodyne CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@]5(C)CO[C@@H](C[C@]4(C)[C@H]3CC[C@@]12C)OC5=O ZINC000238782096 JK Annotated Anodyne CC1(C)C=C2[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@]23C)[C@H](C(=O)O)C1 ZINC000238782139 JK Annotated Anodyne CCC/C=C\C=C\C(=O)O[C@H]1C[C@@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)C[C@@H]3/C=C/1C)C2(C)C ZINC000238782175 JK Annotated Mild C=C(C)CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)C=C(O)[C@]3(C/C=C(/C)CO)CCC(=C)C ZINC000238782216 JK Annotated Mild CC1(C)C=Cc2c(O)cc3c(c2O1)-c1c(O)cc(cc1O)CCCCCCCCC/C=C\CCC3 ZINC000238782252 JK Annotated Anodyne O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccccc3)ccc(CO)c2C#Cc2ccc(O)cc2)C=C1 ZINC000238782334 JK Annotated Mild CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000238782336 JK Annotated Anodyne C=C1CC[C@@H](OC/C2=C\C(=O)C[C@H](C)[C@H]3CC(C)(C)[C@@H]3CC2)C(=C)C(=O)C[C@@H]2[C@@H]1CC2(C)C ZINC000238782367 JK Annotated Mild C=C1CC[C@@H]2[C@](C)(CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]32C)[C@H]1CC[C@@H](C)c1ccc(C)cc1 ZINC000238782398 JK Annotated Mild COC(=O)CC[C@@]1(C)[C@H](C(C)=O)CC=C2[C@@H]1CC[C@@]1(C)[C@H]([C@@H](C)CC(=O)C=C(C)C)CC[C@]21C ZINC000238782416 JK Annotated Mild CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@@]1(C)C3=C(C[C@H]4O[C@]412)[C@@]1(C)CO[C@@H](C3)OC1=O ZINC000238782421 JK Annotated Anodyne CC(C)=CCC(=O)[C@@]1(C)CCC/C(=C/CC/C=C2/CCC[C@@](C)(C(=O)CC=C(C)C)[C@@H]2O)[C@H]1O ZINC000238782484 JK Annotated Anodyne CC(C)=C/C=C/[C@]1(C)C=Cc2c(c(O)c3cccc4oc5c(c2c43)C(=O)c2ccccc2C5=O)O1 ZINC000238782622 JK Annotated Clean CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(C=O)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000238782976 JK Annotated Mild CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C ZINC000238782978 JK Annotated Anodyne CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000238783048 JK Annotated Anodyne C[C@@]12O[C@H]3CCCCCC[C@]4(O)CCCN5CC[C@H](CCCCCC[C@@H]1CCCN2CC3)O[C@@H]54 ZINC000238783086 JK Annotated Anodyne C1=C/CCc2ccc[n+](c2)CCCCCCCCCCc2ccc[n+](c2)CCCCCCCC/1 ZINC000238783125 JK Annotated Anodyne C=C(C=O)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O ZINC000238783170 JK Annotated Reactive C/C1=C\CC[C@@]2(C)[C@@H](Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H]2c2ccccc2)[C@H]2[C@@H](CC1)C2(C)C ZINC000238783228 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)[C@@](C)(CO)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000238783307 JK Annotated Anodyne C=C(C)[C@H](Cc1cc(OC)c(C)cc1O)C(=O)[C@H]1[C@]2(C)CCC[C@]2(C)[C@]12C[C@H](O)C(C)(C)O2 ZINC000238783365 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238783446 JK Annotated Anodyne C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)/C(=C\C)CC)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000238783460 JK Annotated Mild C/C(C=O)=C/CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238783526 JK Annotated Reactive C[C@@H](CCCC(C)(C)O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC3=CC[C@]12C)[C@@H](O)C[C@H](O)C4(C)C ZINC000238783529 JK Annotated Anodyne C/C(C=O)=C/CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238783530 JK Annotated Reactive C/C=C(\C)c1c(Br)c(O)c(C)c2c1Oc1c(Br)c(O)cc(C)c1C(=O)O2 ZINC000238783559 JK Annotated Anodyne C/C=C(/C)c1c(Br)c(O)c(C)c2c1Oc1c(Br)c(O)cc(C)c1C(=O)O2 ZINC000238783561 JK Annotated Anodyne CCCC(C1=C(O)C2=CO[C@H](C)[C@@H](C)C2=C(C)C1=O)C1=C(O)C2=CO[C@H](C)[C@@H](C)C2=C(C)C1=O ZINC000238783570 JK Annotated Mild CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)C[C@H]3CC4=C5[C@H]([C@H](C(C)C)CC[C@@]5(C)C(=O)CC4)[C@]34C(=O)O[C@@H]1[C@H]24 ZINC000238783574 JK Annotated Anodyne CC(=O)O[C@@]12C(=O)C(=O)C(=C(O)C1=O)C/C=C(/C)CC/C=C(\C)CC/C=C(/C)C[C@@H]2C=C(C)C ZINC000238783600 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(/C)C[C@@H](O)/C=C(/C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000238783601 JK Annotated Anodyne CC(=O)O[C@@]12C(=O)C(=O)C(=C(O)C1=O)C/C=C(/C)CC/C=C(/C)CC/C=C(/C)C[C@@H]2C=C(C)C ZINC000238783603 JK Annotated Mild CC(=O)O[C@@]12C(=O)C(=O)C(=C(O)C1=O)C/C=C(\C)CC/C=C(\C)CC/C=C(/C)C[C@@H]2C=C(C)C ZINC000238783609 JK Annotated Mild CC(=O)O[C@@]12C(=O)C(=O)C(=C(O)C1=O)C/C=C(\C)CC/C=C(/C)CC/C=C(/C)C[C@@H]2C=C(C)C ZINC000238783613 JK Annotated Mild C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H]([C@H](OC(=O)CCC)/C(C)=C/CC[C@@]3(C)OC(=O)CCC)[C@@H]12 ZINC000238783702 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@]1(C)O[C@@H](C(C)(C)O)CC1=O ZINC000238783733 JK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3cc(-c4cc(O)cc(O)c4)oc13)C=CC(C)(C)O2 ZINC000238783783 JK Annotated Anodyne CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(/C=O)CC/C=C(/C)CCC1=C(C)CCCC1(C)C ZINC000238783852 JK Annotated Reactive CC(=O)O[C@H]1OC(=O)C=C1[C@H](O)C/C=C(\C=O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C ZINC000238783859 JK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C3=C[C@H]4O[C@]45[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000238783923 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@]45CC[C@H]6C(C)(C)[C@@H](O)CC[C@]6(C)[C@H]4[C@H](O)C(=O)[C@]3(OC5)[C@@H]2C1 ZINC000238783926 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238783933 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C ZINC000238783942 JK Annotated Mild CC(=O)OC[C@]1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 ZINC000238783948 JK Annotated Anodyne C=C1C(CCOC(=O)/C=C\c2ccc(O)c(O)c2)=CC(=O)[C@H]2[C@H]1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000238784036 JK Annotated Mild C=C(C)[C@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)CC(=O)/C=C(\C)C(=O)O)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000238784063 JK Annotated Mild C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)C/C=C(\C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238784065 JK Annotated Mild O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000238784123 JK Annotated Anodyne C1=C\CCCCN2C[C@H]3CC[C@@H]2CCCC/C=C/CCCCN2CC[C@H]3[C@H](CCCCCC/1)C2 ZINC000238784169 JK Annotated Anodyne C1=C\CCCCN2CC[C@H]3[C@H](CCCCCC/C=C/CCCCN4C[C@H]3CC[C@@H]4CCCC/1)C2 ZINC000238784171 JK Annotated Anodyne C1=C/CCCCN2C[C@H]3CC[C@@H]2CCCC/C=C/CCCCN2CC[C@H]3[C@H](CCCCCC/1)C2 ZINC000238784172 JK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@H](c2cc(O)cc(O)c2)[C@H]1c1ccc(O)cc1 ZINC000238784213 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)[C@@H](O)C[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000238784299 JK Annotated Anodyne C=C[C@]1(C)COC(=O)[C@]12O[C@@]1(c3ccccc3)[C@@H](C2=O)[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CC=C(C)[C@@H]21 ZINC000238784303 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(CO)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000238784348 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)CC(=O)/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)c1 ZINC000238784394 JK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)/C(=C/NC=O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000238784564 JK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)/C(=C\NC=O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000238784567 JK Annotated Mild O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)c1ccc(O)cc1O ZINC000238784607 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C(=O)O)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238784898 JK Annotated Anodyne C1=C\c2ccc[n+](c2)CCCCCCCCCCCCCc2ccc[n+](c2)CCCCCCCC/1 ZINC000238784988 JK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)O)[C@](C)(CCC(=O)O)C3=CC[C@]12C ZINC000238785051 JK Annotated Anodyne CNC(=O)c1c(N(C)C=O)ncn1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC(=O)C=C(C)C ZINC000238785120 JK Annotated Mild COc1cc(Br)cc2[nH]cc(-c3oc(-c4ccc[nH]4)nc3I)c12 ZINC000238785195 JK Annotated Anodyne CC1=C([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@]34O[C@@H]4[C@@]12O ZINC000238785221 JK Annotated Anodyne CC(=O)OC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000238785311 JK Annotated Mild CCCCCCC[C@H](C/C=C\CCC(=O)N(C)C/C(Cl)=C\[C@@]12O[C@@H]1CC=C(C)C2=O)OC ZINC000238785434 JK Annotated Mild CCCCCCC[C@H](C/C=C\CCC(=O)N(C)C/C(Cl)=C/[C@@]12O[C@@H]1CC=C(C)C2=O)OC ZINC000238785437 JK Annotated Mild C=C(C)[C@H]1CC=C2[C@H](CC[C@@]23C(=C)CC[C@]3(C)[C@@H](C)CC(=O)/C=C(\C)C(=O)O)[C@]1(C)CCC(=O)OC ZINC000238785697 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(/C)CC(=O)/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)c1 ZINC000238785755 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC[C@H](C)[C@@H](O)/C=C\C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238785820 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(/C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000238785822 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000238785824 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000238785825 JK Annotated Anodyne CCCCCCC[C@@H](C/C=C\CCC(=O)NC/C(=C\Cl)C1=CCC[C@@H](OC(C)=O)C1=O)OC ZINC000238785911 JK Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C\Cl)C1=CCC[C@@H](OC(C)=O)C1=O)OC ZINC000238785913 JK Annotated Mild CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)/C=C\c3ccccc3)[C@@H]1/C=C(\C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000238786002 JK Annotated Mild C[C@@H]1[C@H]2C3=C(O)C(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)C[C@@]2(C)CC[C@]1(C)O ZINC000238786022 JK Annotated Mild CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C\CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000238786073 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=CC(=O)[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000238786162 JK Annotated Mild C=C(CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1 ZINC000238786182 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC=C(C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000238786196 JK Annotated Mild CC(C)=CCOC1=CC(O)=C(C(=O)CO)C(=O)[C@@]1(CC=C(C)C)C/C=C(\C)CC/C=C(\C)CO ZINC000238786252 JK Annotated Mild CC(C)=CCc1c(O)c2c(c3oc(-c4cc(O)cc(O)c4)cc13)C=C[C@@](C)(CC[C@H](O)C(C)(C)O)O2 ZINC000238786270 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(C[C@@H](C)C3=C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238786291 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)CC(=O)C=C(C)C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000238786318 JK Annotated Mild CO[C@H]1OC(C)(C)c2cc3c(c(C)c21)C(=O)C(c1cc(C)c2cc(C(C)C)ccc(C)c1-2)=C3C ZINC000238786363 JK Annotated Mild CC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(C/C=C(/C)CCC=C(C)C)c(O)c12 ZINC000238786424 JK Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2c(O)c(CC=C(C)C)c3cc(-c4cc(O)cc(O)c4)oc3c2C[C@@H]1O ZINC000238786439 JK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](c1ccccc1)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O ZINC000238786489 JK Annotated Mild CC(C)=C1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@@H]1CCC(=O)O ZINC000238786519 JK Annotated Anodyne C1=C\CCc2ccc[n+](c2)CCCCCCCCCCCCc2ccc[n+](c2)CCCCCC/1 ZINC000238786528 JK Annotated Anodyne C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)C[C@]4(O)C=C(C)C(=O)O4)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000238786650 JK Annotated Mild CC1(C)OC(=O)C=C[C@H]2CC3=C(CC[C@H]21)[C@]1(C)CC[C@H]([C@@H]2C[C@@H]4C[C@H]2OC(=O)[C@]4(C)O)[C@@]1(C)CC3 ZINC000238786673 JK Annotated Anodyne Cc1c2c(c(O)c3c1[C@]1(C)Oc4c5c(c(C)c6c(C)coc46)[C@@H](C)CC[C@@H]5[C@@H]1O3)CCC[C@@H]2C ZINC000238786695 JK Annotated Anodyne C#C[C@@H](O)/C=C\CCCCCCCCC/C=C\CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238786735 JK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCCC/C=C/CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238786736 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@]1(C)O[C@@H](C(C)(C)O)CC1=O ZINC000238786765 JK Annotated Mild C=C1CC[C@@H](O)[C@@]2(C)C[C@@H](O)CC(C)(C)C[C@@H]2/C(C)=C/C[C@H](O)[C@@]2(C)C[C@@H](O)CC(C)(C)C[C@H]12 ZINC000238786846 JK Annotated Mild C=C1CC[C@@H](O)[C@@]2(C)C[C@@H](O)CC(C)(C)C[C@@H]2/C(C)=C\C[C@H](O)[C@@]2(C)C[C@@H](O)CC(C)(C)C[C@H]12 ZINC000238786848 JK Annotated Mild CCOC[C@@H]1C[C@@H](C/C=C\c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1 ZINC000238786891 JK Annotated Anodyne CCOC[C@@H]1C[C@@H](C/C=C/c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1 ZINC000238786892 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)CC(=O)/C=C(\C)CC/C=C(\C)[C@H](O)C[C@H](O)C(C)(C)O)c1 ZINC000238786931 JK Annotated Mild CC(=O)[C@@]12CC[C@@](C)(O1)[C@](CO)(CC/C=C(C)/C=C/[C@H]1C(C)=CC[C@@H](C)C1(C)C)[C@H]2CCCO ZINC000238787191 JK Annotated Anodyne CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)CCC(=O)C(C)(C)C/C=C(\C)C2=O ZINC000238787313 JK Annotated Mild CNC(=O)c1c(N(C)C=O)ncn1C/C=C(\C)CC/C=C(\C)CCC/C(C)=C\C(=O)C=C(C)C ZINC000238787433 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C/C=C\C(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238787626 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(/C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000238787635 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(/C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000238787636 JK Annotated Anodyne COC(=O)C[C@@]1(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000238787648 JK Annotated Mild COC(=O)C[C@@]1(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000238787649 JK Annotated Mild COC(=O)C[C@@]1(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000238787651 JK Annotated Mild COC(=O)C[C@@]1(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000238787653 JK Annotated Mild C=C(C)C(=O)CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238787751 JK Annotated Reactive COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000238787800 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(/C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000238787801 JK Annotated Mild C=C(CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1 ZINC000238787866 JK Annotated Mild CC1(C)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1 ZINC000238788026 JK Annotated Anodyne COc1cc(C(=O)CCc2c(O)c(C)c3c(c2OC)CC[C@@H](c2ccc(C)cc2)O3)ccc1O ZINC000238788057 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000238788064 JK Annotated Anodyne COC(=O)Oc1cc2c([nH]c3ccccc32)c(O)c1-c1c(O)c(C=O)cc2c1[nH]c1cc(OC)ccc12 ZINC000238788074 JK Annotated Anodyne C/C=C1\OC(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@@](O)(C(C)(C)O)O3)CC[C@]21C ZINC000238788090 JK Annotated Anodyne C/C=C1/OC(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@@](O)(C(C)(C)O)O3)CC[C@]21C ZINC000238788092 JK Annotated Anodyne C[C@@H]1CN2CCC[C@H]3CCCCCC[C@H]4CCN5CCC[C@@](O)(CCCCCC[C@@H]1O[C@@H]32)[C@@H]5O4 ZINC000238788115 JK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238788168 JK Annotated Anodyne CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)[C@](O)(C(N)=O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000238788193 JK Annotated Mild C1=C/CC[n+]2cccc(c2)CCCCCCCCCC[n+]2cccc(c2)CCCCCCCCC/1 ZINC000238788194 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238788234 JK Annotated Mild C#C/C=C/CCCCCCCCCC/C=C\CCCCCCC[C@H](O)[C@@H](O)[C@H](O)C#CC#CCO ZINC000238788245 JK Annotated Mild C#C/C=C\CCCCCCCCCC/C=C/CCCCCCC[C@H](O)[C@@H](O)[C@H](O)C#CC#CCO ZINC000238788246 JK Annotated Mild C#C/C=C/CCCCCCCCCC/C=C/CCCCCCC[C@H](O)[C@@H](O)[C@H](O)C#CC#CCO ZINC000238788247 JK Annotated Mild C/C(=C\CC/C=C(\C)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238788343 JK Annotated Anodyne Cc1c(Cc2c3c(c(O)c4occ(C)c24)CCC[C@@H]3C)oc2c1[C@@H](O)[C@@]1(C)C(=CCC[C@@H]1C)C2 ZINC000238788382 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@@]3(C)[C@@]2(C)CC[C@]3(C)[C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CCC(=O)O ZINC000238788560 JK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)C(=CC[C@H]2c2ccoc2)[C@]2(C)C(=O)C[C@@H](C(C)C)[C@]3(C=C(O)C(=O)C3)[C@@H]12 ZINC000238788588 JK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCC#C/C=C\CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238788621 JK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCC#C/C=C/CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238788624 JK Annotated Mild CNc1ncnc(NC(C)C)c1N(C=O)C/C=C(/C)CC/C=C(/C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000238788635 JK Annotated Anodyne CNc1ncnc(NC(C)C)c1N(C=O)C/C=C(/C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000238788636 JK Annotated Anodyne CNc1ncnc(NC(C)C)c1N(C=O)C/C=C(\C)CC/C=C(/C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000238788639 JK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)C4=CC[C@@]3(C)[C@]1(C)CC2 ZINC000238789222 JK Annotated Anodyne COc1cc2c(c(C)c1-c1ccoc1)C[C@H]1[C@@]2(C)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000238789280 JK Annotated Anodyne C=C(C)[C@@H](O)CC/C(C)=C\C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238789410 JK Annotated Reactive CC1=C2[C@@H](C(=O)/C(C)=C3\C[C@@]4(C)C(=CC3=O)CCC[C@@H]4C)[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@]2(O)OC1=O ZINC000238789412 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(/C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000238789429 JK Annotated Anodyne C=C[C@@](C)(CC/C=C(\C)CC/C=C(/C)[C@H](O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000238789430 JK Annotated Mild C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CCCCCC[C@H](O)[C@@H](C)N ZINC000238789437 JK Annotated Anodyne C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C/CCCCCC[C@H](O)[C@@H](C)N ZINC000238789438 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C=C(COC(=O)/C=C\c4ccc(O)c(O)c4)[C@H](CC[C@@H]21)C3 ZINC000238789484 JK Annotated Clean C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(/C)CO)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000238789524 JK Annotated Mild O=C1C=CC(=C(c2ccc(O)cc2)c2c(C#Cc3ccc(O)cc3)cccc2-c2ccccc2)C=C1 ZINC000238789609 JK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(C(=O)O)CO[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000238789621 JK Annotated Mild COC(=O)[C@@H](c1cc(O)cc(C/C=C(\C)CCC=C(C)C)c1O)[C@@H]1C[C@@H](C(C)C)C=C[C@]1(C)O ZINC000238789882 JK Annotated Anodyne CCCCC[C@H](CC(=O)CC(=O)Cc1ccc2c(OC)cc3cc(CC=C(C)C)ccc3c2c1)OC ZINC000238789883 JK Annotated Bother CC(C)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@@]23C=C1C(C)C ZINC000239308996 JK Annotated Anodyne CC(C)CN1C(=O)[C@@H]2[C@H]3C[C@@H]4[C@]5(C)CCC[C@](C)(C(=O)O)[C@H]5CC[C@@]4(C=C3C(C)C)[C@@H]2C1=O ZINC000239308997 JK Annotated Anodyne CC(C)CN1C(=O)[C@@H]2[C@H]3C[C@@H]4[C@]5(C)CCC[C@](C)(C(=O)O)[C@@H]5CC[C@@]4(C=C3C(C)C)[C@@H]2C1=O ZINC000239308998 JK Annotated Anodyne CC(C)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@@]23C=C1C(C)C ZINC000239308999 JK Annotated Anodyne Cc1cc(CN2CCC(Nc3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)no1 ZINC000024903536 JK Annotated Anodyne O=c1[nH]c2ccc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)nc2nc1Cc1ccccc1 ZINC000002500093 JK Annotated Anodyne CN1C(=O)C(=Cc2c3n(C)c4ccccc4c(-c4ccccc4)c-3c3ccccc23)C(=O)N(C)C1=O ZINC000002635346 JK Annotated Clean Cc1nn(CCc2nnn[nH]2)c2nc(-c3ccc(C4CCCCC4)cc3)cc(C(F)(F)F)c12 ZINC000002659701 JK Annotated Anodyne CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 ZINC000002694746 JK Annotated Reactive CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 ZINC000002694749 JK Annotated Reactive CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000002719401 JK Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)COc1ccc3ccccc3c1)CC(=O)N2 ZINC000002724097 JK Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)COc1ccc3ccccc3c1)CC(=O)N2 ZINC000002724098 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000002758170 JK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000002758171 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000002806086 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc2ccccc12 ZINC000002806182 JK Annotated Mild Cc1ccc(-c2csc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)n2)cc1 ZINC000002825431 JK Annotated Anodyne O=c1c2sccc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Br)cc1 ZINC000002908718 JK Annotated Bother CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccc(OC)cc2)C1 ZINC000002909694 JK Annotated Clean Cc1[nH]c2ccc(-c3nnc(SC/C(O)=N/Cc4ccco4)n3-c3ccccc3)cc2c1C ZINC000002911376 JK Annotated Mild Cc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)Nc3ccc(F)cc3Cl)sc2n1 ZINC000002911854 JK Annotated Anodyne CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912943 JK Annotated Anodyne aggregator CCCCOc1ccc(OC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1 ZINC000002920017 JK Annotated Anodyne CCn1cc(/C(O)=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c(=O)c2ccc(C)nc21 ZINC000002923347 JK Annotated Mild COc1cc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCCC[C@H]4C)c3c2C)cc1Cl ZINC000002924394 JK Annotated Anodyne COc1cc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)cc1Cl ZINC000002924395 JK Annotated Anodyne COc1cc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)cc1Cl ZINC000002924606 JK Annotated Anodyne CC[C@H](Sc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1)C(=O)NCc1ccco1 ZINC000002925125 JK Annotated Anodyne CC[C@@H](Sc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1)C(=O)NCc1ccco1 ZINC000002925126 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000002927509 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000002927515 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000002927519 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000002927522 JK Annotated Mild Cc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3cc(Br)ccc3O)N2)cc1 ZINC000002933903 JK Annotated Clean Cc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3cc(Br)ccc3O)N2)cc1 ZINC000002933904 JK Annotated Clean Cc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3cc(Br)ccc3O)N2)cc1 ZINC000002933905 JK Annotated Clean Cc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3cc(Br)ccc3O)N2)cc1 ZINC000002933906 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000002934304 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(Cl)cc3)N2)c1O ZINC000002934305 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000002934307 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(Cl)cc3)N2)c1O ZINC000002934309 JK Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 ZINC000002934321 JK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 ZINC000002934323 JK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 ZINC000002934325 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(Br)cc3)N2)c1O ZINC000002934337 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(Br)cc3)N2)c1O ZINC000002934339 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(Br)cc3)N2)c1O ZINC000002934341 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(Br)cc3)N2)c1O ZINC000002934343 JK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934344 JK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934346 JK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934348 JK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934351 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccccc3Cl)N2)c1O ZINC000002934362 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccccc3Cl)N2)c1O ZINC000002934364 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccccc3Cl)N2)c1O ZINC000002934366 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccccc3Cl)N2)c1O ZINC000002934367 JK Annotated Clean CCCCCC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Br)ccc2O)N1 ZINC000002935196 JK Annotated Clean CCCCCC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Br)ccc2O)N1 ZINC000002935197 JK Annotated Clean CCCCCC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Br)ccc2O)N1 ZINC000002935199 JK Annotated Clean CCCCCC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Br)ccc2O)N1 ZINC000002935201 JK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000002935650 JK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000002935652 JK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000002935654 JK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000002935658 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3cccc(Br)c3)N2)c1O ZINC000002936545 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3cccc(Br)c3)N2)c1O ZINC000002936547 JK Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3cccc(Br)c3)N2)c1O ZINC000002936549 JK Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3cccc(Br)c3)N2)c1O ZINC000002936551 JK Annotated Clean CC(C)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@H](c1cc(Br)ccc1O)N2 ZINC000002936709 JK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 ZINC000002936803 JK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 ZINC000002936805 JK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 ZINC000002936807 JK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 ZINC000002936809 JK Annotated Clean CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OC)c(O)c12 ZINC000002942619 JK Annotated Anodyne Cc1ccc(Nc2nnc([C@H]3C(=O)N(C)[C@@]4(C)C[C@@H]3c3cc(Br)ccc3O4)s2)cc1 ZINC000002963819 JK Annotated Anodyne C[C@@H]1c2nc(NC(=O)Nc3ccc(F)cc3F)sc2C[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187954 JK Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@@H](C)[C@H]21 ZINC000025187959 JK Annotated Anodyne C[C@@H]1c2nc(NC(=O)Nc3ccc(F)cc3F)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187965 JK Annotated Anodyne C[C@@H]1c2nc(NC(=O)Nc3ccc(F)cc3F)sc2C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187971 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@H]2[C@@H]3C)c1 ZINC000025202350 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@H]2[C@H]3C)c1 ZINC000025202358 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@@H]2[C@@H]3C)c1 ZINC000025202365 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@@H]2[C@H]3C)c1 ZINC000025202370 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]21C ZINC000253621716 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000253621870 JK Annotated Anodyne C[C@@]12C=C[C@H]3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](SC(=O)c1ccccc1)CC1=CC(=O)C=C[C@@]13C ZINC000253632758 JK Annotated Mild C[C@]12C=CC(=O)C=C1C[C@@H](SC(=O)c1ccccc1)[C@@H]1[C@@H]2C=C[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253632761 JK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253632939 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](O)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253632941 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](O)[C@@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253632942 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](O)[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253632944 JK Annotated Clean CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000253633136 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253633139 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253633141 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000253633144 JK Annotated Mild COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000253633408 JK Annotated Anodyne COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2Cl)cc1)C3 ZINC000253633410 JK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000253633548 JK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000253633551 JK Annotated Anodyne C/C(=C\C[C@]12O[C@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000253633694 JK Annotated Clean C/C(=C\C[C@]12O[C@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000253633695 JK Annotated Clean C/C(=C\C[C@]12O[C@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000253633696 JK Annotated Clean C[C@@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000253633998 JK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000253633999 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253635231 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](F)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253635235 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253635237 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](F)[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253635243 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253635244 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](F)[C@@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253635249 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253635250 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](F)[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253635254 JK Annotated Clean C/C(=C\C[C@]12O[C@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000253635294 JK Annotated Mild C/C(=C\C[C@]12O[C@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000253635301 JK Annotated Mild C/C(=C\C[C@]12O[C@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000253635306 JK Annotated Mild Cc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C)cc4)cc3)cc2)cc1 ZINC000253635997 JK Annotated Reactive CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253636227 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)/C=C/[C@@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253636228 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)/C=C/[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000253636229 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)/C=C/[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000253636230 JK Annotated Clean C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2C1 ZINC000253637048 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@H]2C1 ZINC000253637050 JK Annotated Mild CCOC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253637337 JK Annotated Reactive CCCCC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253637385 JK Annotated Reactive CSc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253637644 JK Annotated Mild CSc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253637651 JK Annotated Mild CSc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)cc1 ZINC000253637655 JK Annotated Mild CSc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)cc1 ZINC000253637660 JK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@H](Cl)c1ccccc1 ZINC000253637893 JK Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@@H](Cl)c1ccccc1 ZINC000253637895 JK Annotated Reactive N#Cc1ccc(C(F)(F)F)cc1N=NN(C(=O)CCl)c1cc(C(F)(F)F)ccc1C#N ZINC000253638172 JK Annotated Reactive CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000253638413 JK Annotated Anodyne CC(C)C(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253638434 JK Annotated Reactive CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000253638453 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000253638454 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253638586 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253638591 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000253638759 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000253638763 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@H]2C4=C(C(C)C)C(=O)C[C@]4(CO)CC[C@]23C)C1(C)C ZINC000253639207 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(CO)CC[C@]23C)C1(C)C ZINC000253639210 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2C4=C(C(C)C)C(=O)C[C@]4(CO)CC[C@]23C)C1(C)C ZINC000253639212 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(CO)CC[C@]23C)C1(C)C ZINC000253639215 JK Annotated Mild N#Cc1ccc(C(F)(F)F)cc1N=NN(C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1C#N ZINC000253639369 JK Annotated Reactive CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCC[N@@+]2(C)C=CN=C2)C1 ZINC000253639390 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC[N@+]2(C)C=CN=C2)C1 ZINC000253639395 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCC[N@+]2(C)C=CN=C2)C1 ZINC000253639401 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC[N@@+]2(C)C=CN=C2)C1 ZINC000253639405 JK Annotated Mild CC#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253639594 JK Annotated Mild CC#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253639597 JK Annotated Mild CC#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253639599 JK Annotated Mild Clc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000253640229 JK Annotated Reactive C(/C=C/c1ccccc1)=Nc1ccc(SSc2ccc(N=C/C=C/c3ccccc3)cc2)cc1 ZINC000253641873 JK Annotated Reactive Oc1ccccc1C=Nc1ccc(SSc2ccc(N=Cc3ccccc3O)cc2)cc1 ZINC000253642390 JK Annotated Reactive CC[C@H]1CCCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000253644004 JK Annotated Clean COc1ccc(CCN(C)[C@@H]2CCC[C@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000253644123 JK Annotated Mild CC[C@H](C1=C(O)O[C@@H]2CCCCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253646333 JK Annotated Mild CC[C@H](C1=C(O)O[C@H]2CCCCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253646334 JK Annotated Mild O=C(O)[C@@H]1CC[C@H](Nc2ccc3c4c(cccc24)C(=O)N(c2cccc(Br)c2)C3=O)CC1 ZINC000253650426 JK Annotated Anodyne in-vivo CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H](O)[C@@]2(C)CO[C@@]4(C)CC[C@H]2C4)[C@@H]1N5[C@H]3O ZINC000253651320 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H](O)[C@@]2(C)CO[C@@]4(C)CC[C@H]2C4)[C@@H]1N5[C@@H]3O ZINC000253651326 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H](O)[C@]2(C)CO[C@@]4(C)CC[C@H]2C4)[C@@H]1N5[C@H]3O ZINC000253651329 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H](O)[C@]2(C)CO[C@@]4(C)CC[C@H]2C4)[C@@H]1N5[C@@H]3O ZINC000253651332 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000253652375 JK Annotated Anodyne CCCCCCCCCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253654132 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253654136 JK Annotated Mild C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@@H](C)[C@@H]21 ZINC000253654897 JK Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@H](C)[C@@H]21 ZINC000253654905 JK Annotated Anodyne C[C@@H]1c2nc(NC(=O)Nc3ccc(F)cc3F)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000253654912 JK Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)Nc5ccc(F)cc5F)sc4C[C@@]3(C)CC[C@H]12 ZINC000253654918 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@H]2[C@@H]3C)c1 ZINC000253654971 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@@H]3C)c1 ZINC000253654976 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@H]3C)c1 ZINC000253654980 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@H]2[C@H]3C)c1 ZINC000253654986 JK Annotated Anodyne CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1 ZINC000253655033 JK Annotated Anodyne CN(C)[C@]12C[C@H](OC(=O)c3ccc4c(c3)OCO4)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253655052 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccc4c(c3)OCO4)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253655059 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000253655833 JK Annotated Anodyne C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@@H]2CO)CCC[C@@H]1CO ZINC000253655904 JK Annotated Bother C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@H]2CO)CCC[C@H]1CO ZINC000253655909 JK Annotated Bother C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@H]2CO)CCC[C@@H]1CO ZINC000253655913 JK Annotated Bother C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@@H]2CO)CCC[C@H]1CO ZINC000253655919 JK Annotated Bother OC[C@@H]1CCCN(CCC[C@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000253659139 JK Annotated Anodyne CN(C)[C@]12C[C@H](OC(=O)/C=C/c3ccccc3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253660059 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)/C=C/c3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253660064 JK Annotated Anodyne C[C@@H]1CN(C)CC[C@@H]1CC[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000253660096 JK Annotated Anodyne C[C@@H]1CN(C)CC[C@@H]1CC[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000253660964 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253660989 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253660992 JK Annotated Anodyne OC[C@@H]1CCCN(CCC[C@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000253661008 JK Annotated Anodyne CCCCN1[C@@H](c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)N(CCCC)[C@@H]1c1ccc(O)cc1 ZINC000253664161 JK Annotated Anodyne NCCN1CC[C@]2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](c1ccc(Cl)cc1)C2 ZINC000253664564 JK Annotated Anodyne CN(C)[C@@]12CCN[C@@H]([C@H](c3ccc(Br)cc3)C1)[C@@H](c1ccc(Br)cc1)C2 ZINC000253664970 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)c(CC=C(C)C)c2c1C=c1nc(O)c(=C)nc1O ZINC000253666907 JK Annotated Mild OC[C@@H]1CCCN(CCC[C@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000253666934 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253668283 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253668289 JK Annotated Anodyne O=C(O[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000253671035 JK Annotated Anodyne O=C(O[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000253671039 JK Annotated Anodyne CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CSC[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253671826 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000253672953 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000253672959 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000253673145 JK Annotated Anodyne c1ccc(CN2CC[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253673193 JK Annotated Anodyne CC1(C)CCC[C@@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](O)C[C@]23C)O1 ZINC000253673200 JK Annotated Anodyne CC1(C)CCC[C@@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](O)C[C@]23C)O1 ZINC000253673209 JK Annotated Anodyne CCOc1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](NCc4ccccc4)CC3)c(C#N)c3ccnn23)cc1 ZINC000253673506 JK Annotated Mild CCN(CC)CC(=O)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253674207 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253674213 JK Annotated Anodyne CN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253674242 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O)C[C@]12C ZINC000253674351 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253676172 JK Annotated Anodyne CCN(CC)CC(=O)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253676177 JK Annotated Anodyne c1ccc(CCN2CC[C@]3(N4CCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253676663 JK Annotated Anodyne c1ccc(CCN2CC[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253677464 JK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]2CC)n1 ZINC000253677884 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@H]2CC)n1 ZINC000253677888 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)[C@H]2C)n1 ZINC000253677894 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(C)cc3)N[C@@H](c3ccc(C)cc3)[C@H]2C)n1 ZINC000253677897 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000253677939 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)[C@H]2C)n1 ZINC000253677942 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@H]2C)n1 ZINC000253677953 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)[C@H]2C)n1 ZINC000253677961 JK Annotated Mild CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)[C@@H]1CCN([C@H]2C[C@H](C)[C@H](C)C2)C1 ZINC000253678231 JK Annotated Anodyne CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)[C@H]1CCN([C@H]2C[C@H](C)[C@H](C)C2)C1 ZINC000253678240 JK Annotated Anodyne CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)[C@@H]1CCN(C2C[C@@H](C)[C@H](C)C2)C1 ZINC000253678252 JK Annotated Anodyne CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)[C@@H]1CCN(C2C[C@H](C)[C@@H](C)C2)C1 ZINC000253678257 JK Annotated Anodyne CC(C)[C@H](CNCc1ccccc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](Cc2ccccc2)C1 ZINC000253679452 JK Annotated Anodyne CC(C)[C@H](CNCc1ccccc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](Cc2ccccc2)C1 ZINC000253679456 JK Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000253679937 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000253679943 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@H]21 ZINC000253679949 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(C)cc3)C(=O)[C@H]12 ZINC000253679956 JK Annotated Mild CN1CCC[C@@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@H]1CCCN1C ZINC000253680017 JK Annotated Anodyne CN1CCC[C@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@H]1CCCN1C ZINC000253680022 JK Annotated Anodyne O=C(O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000253680071 JK Annotated Anodyne O=C(O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000253680078 JK Annotated Anodyne CSC1=NC(=Nc2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccccc1Cl ZINC000253682223 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@@H]2[C@H](CC(CO)=C[C@@H]3[C@@H]2[C@H](C)C[C@H]2[C@@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000253683039 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@@H]2[C@H](CC(CO)=C[C@@H]3[C@@H]2[C@H](C)C[C@@H]2[C@@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000253683046 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@@H]2[C@H](CC(CO)=C[C@@H]3[C@@H]2[C@H](C)C[C@H]2[C@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000253683049 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@@H]2[C@H](CC(CO)=C[C@@H]3[C@@H]2[C@H](C)C[C@@H]2[C@H]3C2(C(C)=O)C(C)=O)C1=O ZINC000253683054 JK Annotated Mild CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000253683240 JK Annotated Bother CC[N@@+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000253683246 JK Annotated Bother COc1ccc(CN([C@H]2CCc3ccccc3C2)[C@H]2CC(=O)c3ccccc32)c(OC)c1OC ZINC000253683248 JK Annotated Anodyne CCCNC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253684228 JK Annotated Reactive CC1=CC[C@@H]2[C@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000253684448 JK Annotated Anodyne Nc1c(Cl)cc(C(=O)N(C2CC2)[C@@H]2CC[C@H](C(=O)NCC3CCCCC3)CC2)cc1Cl ZINC000253684698 JK Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]21 ZINC000253684943 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000253684950 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@H]12 ZINC000253684957 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000253684961 JK Annotated Mild O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/CN3CCCCC3)ccc1C2)c1ccc(Cl)s1 ZINC000253685238 JK Annotated Anodyne c1ccc([C@@H]2C[C@@]3(N4CCCCC4)CCN(CCN4CCCC4)[C@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253685529 JK Annotated Anodyne CCOC(=O)NC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253686205 JK Annotated Reactive COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000253688692 JK Annotated Anodyne COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C3 ZINC000253688693 JK Annotated Anodyne C=Cc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)cc1 ZINC000253689790 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253689800 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253689809 JK Annotated Mild C=Cc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)cc1 ZINC000253689816 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000253689935 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](O)C[C@]23C)O1 ZINC000253689951 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000253689961 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](O)C[C@]23C)O1 ZINC000253689969 JK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2C1 ZINC000253690266 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CC[C@H]2C(=O)c3ccccc3C(=O)[C@H]2C1 ZINC000253690272 JK Annotated Mild CCCC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253691721 JK Annotated Reactive CCCCN1CN(CCCC)[C@H](c2c(Cl)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl ZINC000253693015 JK Annotated Anodyne CN(C(=O)Oc1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(C[N+]3([O-])CCCCC3)cc2)CC1 ZINC000253693291 JK Annotated Bother CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000253695036 JK Annotated Anodyne investigational CN(C[C@@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)S(=O)(=O)c1ccccc1 ZINC000253695827 JK Annotated Anodyne O=C1O[C@@H](O[P@](=O)(Cc2cccc3ccccc23)O[C@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000253696595 JK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253700598 JK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253700603 JK Annotated Anodyne CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000253701784 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2C=C[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253701789 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2C=C[C@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253701794 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2C=C[C@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000253701801 JK Annotated Mild C/C(=C\[C@H](O)[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000253712347 JK Annotated Clean C/C(=C\[C@H](O)[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000253712358 JK Annotated Clean C/C(=C\[C@H](O)[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000253712364 JK Annotated Clean C/C(=C\[C@H](O)[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000253712369 JK Annotated Clean C[C@@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253733691 JK Annotated Mild C[C@@]12CCC[C@@H](/C1=N\O)[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253733702 JK Annotated Mild Clc1ccc([C@H]2N[C@H](c3ccc(Cl)cc3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)cc1 ZINC000253733929 JK Annotated Mild Clc1ccc([C@@H]2N[C@@H](c3ccc(Cl)cc3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)cc1 ZINC000253733937 JK Annotated Mild C[C@@H]1[C@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@H]2C[C@H]1C2(C)C ZINC000253734099 JK Annotated Anodyne C[C@@H]1[C@H](NC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@H]2C[C@H]1C2(C)C ZINC000253734104 JK Annotated Anodyne C[C@@H]1[C@@H](NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C[C@H]2C[C@H]1C2(C)C ZINC000253734105 JK Annotated Anodyne NC(=O)CN1CC[C@]2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](c1ccc(Cl)cc1)C2 ZINC000253761710 JK Annotated Anodyne Clc1ccccc1[C@@H]1N[C@@H](c2ccccc2Cl)[C@H]2CCC[C@H]1C2=NOCc1ccccc1 ZINC000253776723 JK Annotated Mild Clc1ccccc1[C@H]1N[C@H](c2ccccc2Cl)[C@H]2CCC[C@H]1C2=NOCc1ccccc1 ZINC000253776734 JK Annotated Mild COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000253778880 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000253778889 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N@@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000253778897 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000253778903 JK Annotated Bother CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)n2ccc3ccccc32)[C@@H]1c1ccccc1 ZINC000253781039 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2ccc3ccccc32)[C@H]1c1ccccc1 ZINC000253781047 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)n2ccc3ccccc32)[C@H]1c1ccccc1 ZINC000253781054 JK Annotated Anodyne CCn1c(SCC(=O)N=Nc2c(O)[nH]c3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000253783186 JK Annotated Clean CC[C@H](C1=C(O)O[C@@H]2CCCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253791587 JK Annotated Mild CC[C@H](C1=C(O)O[C@H]2CCCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253791597 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253791868 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000253791878 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000253791883 JK Annotated Mild C=CCCCCC(=O)OCC[C@@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253791892 JK Annotated Mild CC(C)CCC[C@H](CCC[C@@H](C)CCC[C@H](C)CCOS(=O)(=O)O)COS(=O)(=O)O ZINC000253798419 JK Annotated Anodyne COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000253805283 JK Annotated Bother CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)(CCc4ccccc4)[C@H]2N3C)cc1 ZINC000253806892 JK Annotated Bother C[C@@]12CCC[C@@H](/C1=N\O)[C@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000253810667 JK Annotated Mild C[C@@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000253810668 JK Annotated Mild O=C1C(OCc2ccccc2)=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000253810738 JK Annotated Mild Cc1ccccc1C[S@](=O)[C@@]1(Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000253837783 JK Annotated Mild Cc1ccccc1C[S@](=O)[C@@]1(Cl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000253837788 JK Annotated Mild COc1cc2cc(C(=O)C[C@@H]3CC[C@H](O)C[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000253837966 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CC[C@@H](O)C[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000253837971 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CC[C@H](O)C[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000253837973 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CC[C@@H](O)C[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000253837975 JK Annotated Bother CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O)C[C@]12C ZINC000253854741 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000253854748 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C=c1nc(O)c(=C)nc1O ZINC000253855611 JK Annotated Mild Cc1ccc(C(=O)N[C@H](CN2C[C@H]3CC[C@H]2C[C@H]3Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000253861067 JK Annotated Anodyne Cc1ccc(C(=O)N[C@@H](CN2C[C@H]3CC[C@H]2C[C@H]3Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000253861070 JK Annotated Anodyne COc1cccc(CN2CCCN(Cc3ccccc3F)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000253862408 JK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253883786 JK Annotated Mild CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253883791 JK Annotated Mild NCCN1CC[C@]2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](c1ccc(Cl)cc1)C2 ZINC000253895999 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)Cn2ccc3ccccc32)[C@H]1c1ccccc1 ZINC000253896380 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)Cn2ccc3ccccc32)[C@H]1c1ccccc1 ZINC000253896384 JK Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000253915878 JK Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000253915882 JK Annotated Anodyne O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000253915973 JK Annotated Clean CN(C)[C@@]12CCN[C@@H]([C@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000253916305 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)O[C@@H](COc3ccc(C(C)(C)C)cc3)CN2[C@H]1c1ccc(Br)cc1 ZINC000253916476 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)O[C@H](COc3ccc(C(C)(C)C)cc3)CN2[C@H]1c1ccc(Br)cc1 ZINC000253916479 JK Annotated Anodyne CCCCn1c(O)c(N=NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000253916655 JK Annotated Clean aggregator c1ccc([C@@H]2C[C@@]3(N4CCCC4)CCN(CCCN4CCCCC4)[C@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253916918 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@](=O)Cc1ccccc1 ZINC000253917034 JK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@@](=O)Cc1ccccc1 ZINC000253917036 JK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253917738 JK Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=Nc1c(O)[nH]c2ccccc12 ZINC000253920455 JK Annotated Clean C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000253920781 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000253920784 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000253920786 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000253928425 JK Annotated Anodyne in-vitro C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253928428 JK Annotated Anodyne in-vitro C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253928431 JK Annotated Anodyne in-vitro C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000253928433 JK Annotated Anodyne in-vitro O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N=Nc1c(O)[nH]c2ccccc12 ZINC000253928462 JK Annotated Clean O=C(Cn1c(C(F)(F)F)nc2ccccc21)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000253928551 JK Annotated Clean Cc1cccc2c(N=Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c(O)[nH]c12 ZINC000253946992 JK Annotated Clean CC(/C=C(\NC(=O)c1ccccc1)C(=O)N=Nc1c(O)[nH]c2ccc(C)cc12)=C\c1ccccc1 ZINC000253947822 JK Annotated Clean CC(C)c1ccc2[nH]c(O)c(N=NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2c1 ZINC000253951924 JK Annotated Clean ON=C1[C@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000253952890 JK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000253952893 JK Annotated Mild ON=C1[C@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000253952898 JK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000253952975 JK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000253952977 JK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000253952979 JK Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000253960968 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000253960973 JK Annotated Anodyne O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccs2)nc2ccccc12 ZINC000253961066 JK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccc3ccccc23)[nH]n1 ZINC000253961142 JK Annotated Clean COc1ccc(OC[C@@H]2C[C@@H]3[C@H](CC[C@@H](C)[C@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000253966611 JK Annotated Anodyne COc1ccc(OC[C@@H]2C[C@@H]3[C@H](CC[C@H](C)[C@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000253966617 JK Annotated Anodyne COc1ccc(OC[C@@H]2C[C@@H]3[C@H](CC[C@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000253966620 JK Annotated Anodyne COc1ccc(OC[C@@H]2C[C@@H]3[C@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000253966623 JK Annotated Anodyne COc1ccc(N=Nc2nc3cc(Br)c(Br)cc3n2C)c(OC)c1 ZINC000253966634 JK Annotated Clean O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000253966645 JK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000253966649 JK Annotated Anodyne O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000253966651 JK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000253966655 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000253966977 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000253966980 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1-c1ccc(N(C)C)cc1 ZINC000253977401 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1-c1ccc(N(C)C)cc1 ZINC000253977405 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1-c1ccc(N(C)C)cc1 ZINC000253977408 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2cc3ccccc3s2)cc1F ZINC000253977533 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2cc3ccccc3s2)cc1F ZINC000253977537 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2cc3ccccc3s2)cc1F ZINC000253977542 JK Annotated Anodyne CC(C)n1c(O)c(N=NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000253977882 JK Annotated Clean aggregator Cc1ccc(NC(=O)Cn2c(O)c(N=NC(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1 ZINC000253978780 JK Annotated Clean O=C(CCCCCNC(=O)c1ccccc1Br)N=Nc1c(O)[nH]c2ccccc12 ZINC000253978842 JK Annotated Clean CC(=O)N[C@@H](/N=C(/S)Nc1ccc(N=Nc2ccccc2C)cc1C)C(Cl)(Cl)Cl ZINC000253978878 JK Annotated Mild CC(=O)N[C@H](/N=C(/S)Nc1ccc(N=Nc2ccccc2C)cc1C)C(Cl)(Cl)Cl ZINC000253978883 JK Annotated Mild COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000253979245 JK Annotated Anodyne Cc1c(N=C(S)N=Nc2c(O)[nH]c3ccc(Br)cc23)c(=O)n(-c2ccccc2)n1C ZINC000253981534 JK Annotated Mild aggregator Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000253982886 JK Annotated Reactive COc1ccc(-c2ccc(OC)c([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000253986414 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000253986417 JK Annotated Anodyne Clc1ccc(CN(C[C@H]2CCCO2)[C@H](c2cccs2)c2nnnn2C2CCCC2)cc1 ZINC000253986783 JK Annotated Anodyne CC(C)c1ccc2[nH]c(O)c(N=NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c2c1 ZINC000253986890 JK Annotated Clean aggregator COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000253987356 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000253987400 JK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(C)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000253989065 JK Annotated Anodyne CN(C)c1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000253989096 JK Annotated Anodyne CN(C)c1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000253989099 JK Annotated Anodyne CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000253992255 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253992256 JK Annotated Mild CN(C)c1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000253993233 JK Annotated Anodyne CN(C)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000253993236 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000253993282 JK Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1[C@H](c1ccccc1)[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000253995069 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000253995109 JK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCO)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000253996309 JK Annotated Anodyne Cc1cc(N=Nc2c(O)nc3ccccc3c2O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1 ZINC000254003237 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(F)/C=C/[C@@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000254005283 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(F)/C=C/[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O ZINC000254005302 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(F)/C=C/[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000254005314 JK Annotated Clean CC1(C)COC2(CCC(N[C@@H]3CC[C@@H](Nc4ccnc5cc(C(F)(F)F)ccc45)CC3)CC2)OO1 ZINC000254009846 JK Annotated Reactive O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12O[C@H](COc1ccccc1)C[C@H]1CCC[C@H]12 ZINC000254010284 JK Annotated Anodyne O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12O[C@H](COc1ccccc1)C[C@@H]1CCC[C@H]12 ZINC000254010299 JK Annotated Anodyne O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12O[C@H](COc1ccccc1)C[C@H]1CCC[C@@H]12 ZINC000254010309 JK Annotated Anodyne CN(C)c1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000254010346 JK Annotated Anodyne CN(C)c1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000254010360 JK Annotated Anodyne O=C1c2ccccc2[C@](O[C@@H]2CC[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000254010460 JK Annotated Bother O=C1c2ccccc2[C@@](O[C@@H]2CC[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000254010470 JK Annotated Bother CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)[C@H]2C(=O)C[C@H](c3ccco3)CC2=N1 ZINC000254010592 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)[C@@H]2C(=O)C[C@H](c3ccco3)CC2=N1 ZINC000254010599 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000254012057 JK Annotated Anodyne CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000254013081 JK Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000254013088 JK Annotated Mild CC/C=C/C[C@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000254013202 JK Annotated Anodyne CC/C=C\C[C@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000254013214 JK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2[C@@H]1c1ccccc1N2C ZINC000254016356 JK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2[C@H]1c1ccccc1N2C ZINC000254016360 JK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2[C@H]1c1ccccc1N2C ZINC000254016365 JK Annotated Anodyne CCc1cc2c(nc1CC)CCN(CCC(C)=NO[C@H](C)CN1CCCc3nc(C)c(C)cc31)C2 ZINC000254016368 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NO[C@@H](C)CN1CCCc3nc(C)c(C)cc31)C2 ZINC000254016374 JK Annotated Mild c1ccc2c(=NCCCCCCCCN=c3c4ccccc4nc4n3CCC4)n3c(nc2c1)CCC3 ZINC000254017977 JK Annotated Anodyne O=C1N(CC2CC2)c2cccc(Br)c2[C@]12O[C@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000254018051 JK Annotated Anodyne O=C1N(CC2CC2)c2cccc(Br)c2[C@]12O[C@@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000254018053 JK Annotated Anodyne C=CC[C@@H]1C(=O)N2[C@H](C[C@H](C)[C@@H]2c2ccccc2)[C@H](CC=C)C(=O)N2[C@H](c3ccccc3)[C@@H](C)C[C@H]12 ZINC000254019918 JK Annotated Mild C=CC[C@@H]1C(=O)N2[C@H](C[C@H](C)[C@@H]2c2ccccc2)[C@H](CC=C)C(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@H]12 ZINC000254019927 JK Annotated Mild C=CC[C@@H]1C(=O)N2[C@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@H](CC=C)C(=O)N2[C@@H]1C[C@H](C)[C@@H]2c1ccccc1 ZINC000254019939 JK Annotated Mild C=CC[C@@H]1C(=O)N2[C@H](C[C@H](C)[C@@H]2c2ccccc2)[C@H](CC=C)C(=O)N2[C@@H]1C[C@H](C)[C@@H]2c1ccccc1 ZINC000254019948 JK Annotated Mild CCc1ccc2oc(-c3ccc(OC)cc3)cc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 ZINC000254036063 JK Annotated Anodyne CC(=O)c1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000254042278 JK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)/C(=C(\O)OCC)C(=Nc2ccccc2)C[C@@]1(C)O ZINC000254043196 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)/C(=C(\O)OCC)C(=Nc2ccccc2)C[C@]1(C)O ZINC000254043203 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)/C(=C(/O)OCC)C(=Nc2ccccc2)C[C@@]1(C)O ZINC000254043208 JK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)/C(=C(/O)OCC)C(=Nc2ccccc2)C[C@]1(C)O ZINC000254043213 JK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000254043329 JK Annotated Anodyne CCCCCCN1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000254044289 JK Annotated Anodyne CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000254045078 JK Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000254045084 JK Annotated Mild CCc1ccc(/C(O)=C/C=Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000254045227 JK Annotated Mild CCc1ccc(/C(O)=C\C=Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000254045234 JK Annotated Mild COC(=O)[C@]1(Cc2ccccc2-c2ccco2)C=C[C@@H](C)[C@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000254045291 JK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2-c2ccco2)C=C[C@H](C)[C@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000254045298 JK Annotated Anodyne O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000254046310 JK Annotated Anodyne Cc1cc2c(nc1C)CCCCN2C[C@H](C)ON=C[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000254046317 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)ON=C[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000254046320 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)ON=C[C@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000254046325 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)ON=C[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000254046331 JK Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254046336 JK Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254046343 JK Annotated Mild O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000254047077 JK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000254047079 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1cccc(F)c1 ZINC000254051021 JK Annotated Anodyne CCCCCCCCCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000254058076 JK Annotated Mild CCCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000254058078 JK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)CC2CCOCC2)CC1 ZINC000254074532 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCCC[C@H]4[C@@H]3C2=O)cc1 ZINC000254074645 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000254074648 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000254074651 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC(C)(C)CC(C)(C)[C@@H]4[C@H]3C2=O)cc1 ZINC000254076045 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC(C)(C)CC(C)(C)[C@@H]4[C@@H]3C2=O)cc1 ZINC000254076048 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000254076507 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000254076514 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254076518 JK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)c2ccncc2)CC1 ZINC000254077155 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254077728 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254077731 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254077734 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254077898 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254077908 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254077913 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000254077920 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]3[C@@H]2C1 ZINC000254077998 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]3[C@H]2C1 ZINC000254077999 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]3[C@H]2C1 ZINC000254078000 JK Annotated Anodyne CCCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000254078562 JK Annotated Mild CCCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000254078568 JK Annotated Mild C=C(c1ccc(F)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000254078656 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000254078657 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254079817 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254079824 JK Annotated Anodyne C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000254079963 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000254079966 JK Annotated Reactive CCC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254080595 JK Annotated Anodyne CCC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000254080598 JK Annotated Anodyne CCC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000254080601 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c1 ZINC000254081037 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1 ZINC000254081039 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1 ZINC000254081041 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)c1 ZINC000254081043 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c(C)c1 ZINC000254081090 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)c(C)c1 ZINC000254081094 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000254081097 JK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)[C@@H]2CC[C@@H](O)CC2)CC1 ZINC000254081793 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254081799 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254081801 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000254081802 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]2C1 ZINC000254091715 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]2C1 ZINC000254091717 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]2C1 ZINC000254091718 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2ncc(C(=O)O)s2)CC1 ZINC000254093106 JK Annotated Anodyne Cc1ccc2c(c1)C[C@@]1(C2=O)[C@H](c2ccccc2)[C@@H]2c3cc(C)ccc3C(=O)[C@H]2[C@H]1c1ccccc1 ZINC000254110964 JK Annotated Anodyne CC[N@+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000254111020 JK Annotated Bother CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000254111024 JK Annotated Bother CC[N@+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000254111026 JK Annotated Bother Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254111082 JK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254111088 JK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254111092 JK Annotated Anodyne CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000254111246 JK Annotated Reactive COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1OC ZINC000254113517 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)cc1OC ZINC000254113522 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)cc1OC ZINC000254113525 JK Annotated Anodyne Cc1cc(C(=O)N[C@@H]2CC[C@@H](O)CC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 ZINC000254119849 JK Annotated Anodyne c1ccc(CN2[C@H]3CCCC[C@@H]3C3=C([C@@H](c4ccc5c(c4)OCO5)ON3)[C@H]2c2ccccc2)cc1 ZINC000254120843 JK Annotated Anodyne c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccc4c(c3)OCO4)[C@H]3CCCC[C@H]32)cc1 ZINC000254120848 JK Annotated Anodyne c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccc4c(c3)OCO4)[C@@H]3CCCC[C@H]32)cc1 ZINC000254120851 JK Annotated Anodyne c1ccc(CN2[C@H]3CCCC[C@H]3C3=C([C@@H](c4ccc5c(c4)OCO5)ON3)[C@H]2c2ccccc2)cc1 ZINC000254120858 JK Annotated Anodyne c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3c[nH]c4ccccc34)[C@H]3CCCC[C@H]32)cc1 ZINC000254121225 JK Annotated Anodyne c1ccc(CN2[C@H]3CCCC[C@H]3C3=C([C@@H](c4c[nH]c5ccccc45)ON3)[C@H]2c2ccccc2)cc1 ZINC000254121233 JK Annotated Anodyne c1ccc(CN2[C@H]3CCCC[C@@H]3C3=C([C@@H](c4c[nH]c5ccccc45)ON3)[C@H]2c2ccccc2)cc1 ZINC000254121241 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)cc1 ZINC000254127698 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 ZINC000254127703 JK Annotated Anodyne COc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)cc1 ZINC000254127707 JK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CC[C@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000254128355 JK Annotated Anodyne O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)c1 ZINC000254129220 JK Annotated Bother O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)c1 ZINC000254129222 JK Annotated Bother CSc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254129269 JK Annotated Anodyne CSc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254129271 JK Annotated Anodyne C=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O ZINC000254129287 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@H](C)C(=O)O ZINC000254129289 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)O ZINC000254129291 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O ZINC000254129292 JK Annotated Mild CC1(C)O[C@@H]2[C@H]3C[C@@H]([C@H]2O1)N(CCCc1ccccc1)C[C@H]3OC(=O)c1ccccc1-c1ccccc1 ZINC000254129299 JK Annotated Anodyne CC1(C)O[C@H]2[C@@H]3C[C@@H]([C@H](OC(=O)c4ccccc4-c4ccccc4)CN3CCCc3ccccc3)[C@H]2O1 ZINC000254129303 JK Annotated Anodyne CC1(C)O[C@@H]2[C@H]3C[C@@H]([C@H]2O1)N(CCCc1ccccc1)C[C@@H]3OC(=O)c1ccccc1-c1ccccc1 ZINC000254129305 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@@H]2[C@H]1[C@@H]1O[C@@H]2CC1(OCc1ccccc1)OCc1ccccc1 ZINC000254131857 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@H]1[C@@H]1O[C@@H]2CC1(OCc1ccccc1)OCc1ccccc1 ZINC000254131860 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)[C@H](CC[C@]21C)C(C)(C)[C@@H]1OC(=O)[C@@H]3O1 ZINC000254132110 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)[C@H]4O[C@@H](OC4=O)C(C)(C)[C@@H]3CC[C@@]21C ZINC000254132112 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)[C@H](CC[C@@]21C)C(C)(C)[C@@H]1OC(=O)[C@@H]3O1 ZINC000254132114 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)[C@H]4O[C@@H](OC4=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000254132116 JK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(Cl)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254133210 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(Cl)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254133212 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(Cl)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254133214 JK Annotated Anodyne Clc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000254133687 JK Annotated Anodyne CCCN(CC[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000254133744 JK Annotated Anodyne CCC[C@@H]1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)O)c1 ZINC000254133822 JK Annotated Anodyne CCC[C@H]1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)O)c1 ZINC000254133827 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)C[C@H]2Cc2ccccc2)ccc1Cl ZINC000254134671 JK Annotated Anodyne Cc1cc(C2=NN(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)C[C@H]2Cc2ccccc2)ccc1Cl ZINC000254134675 JK Annotated Anodyne CN[C@@H]1CC[C@@H](N(Cc2ccnc3ccccc23)C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000254135213 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1ccc([C@@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1 ZINC000254135233 JK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000254135488 JK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254135491 JK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000254135494 JK Annotated Mild O=C(OCc1ccccc1)N1N=N[C@@H]2[C@H]1[C@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@H]2O1 ZINC000254136761 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@@H]2[C@@H]3O[C@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000254136766 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@@H]3O[C@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000254136770 JK Annotated Anodyne O=C(OCc1ccccc1)N1N=N[C@H]2[C@H]1[C@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@H]2O1 ZINC000254136773 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254140571 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000254140574 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254142528 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000254142531 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]2C1 ZINC000254142534 JK Annotated Bother CCOc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254143382 JK Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254143385 JK Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254143387 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C1=O ZINC000254143416 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O ZINC000254143418 JK Annotated Anodyne Cc1cccc(C)c1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O ZINC000254143420 JK Annotated Anodyne O=[S@@]1[C@@H](c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000254143458 JK Annotated Anodyne O=[S@]1[C@@H](c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2[C@H]1c1ccccc1 ZINC000254143461 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1C ZINC000254156402 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)c1C ZINC000254156404 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1C ZINC000254156405 JK Annotated Anodyne Clc1ccccc1[C@@H]1ONC2=C1[C@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CCCC[C@@H]21 ZINC000254169455 JK Annotated Anodyne Clc1ccccc1[C@@H]1ONC2=C1[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]21 ZINC000254169457 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254194395 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254194396 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254194397 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254194398 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@H]2C1 ZINC000254200500 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3[C@@H]2C1 ZINC000254200502 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]2C1 ZINC000254200504 JK Annotated Anodyne CCCCCCCCCCO[C@@H]1[C@H]([C@H](C)OCCCN(C)C)O[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000254201101 JK Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@H](C)OCCCN(C)C)O[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000254201103 JK Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@H](C)OCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000254201104 JK Annotated Mild CCCCCCCCCCO[C@@H]1[C@H]([C@H](C)OCCCN(C)C)O[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000254201107 JK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(C)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254201722 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(C)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254201724 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(C)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254201726 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@H](C)[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000254209928 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254224079 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254224080 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254224081 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254224083 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254239044 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000254239045 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254239046 JK Annotated Anodyne C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1n1ccc(O)nc1=O ZINC000254240964 JK Annotated Reactive C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(O)nc1=O ZINC000254240965 JK Annotated Reactive C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(O)nc1=O ZINC000254240966 JK Annotated Reactive C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1n1ccc(O)nc1=O ZINC000254240967 JK Annotated Reactive O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCCCCCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000254240979 JK Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCCCCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000254240980 JK Annotated Anodyne O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1c[nH]c2ccccc12 ZINC000254290075 JK Annotated Reactive aggregator Cc1ccc(-n2c(C)cc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)cc1 ZINC000254383641 JK Annotated Reactive aggregator CC/C(=C/C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)O)CC[C@@H]1C ZINC000254402349 JK Annotated Anodyne C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2 ZINC000254500238 JK Annotated Mild CCCC(=O)N[C@@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000254501788 JK Annotated Clean CCCC(=O)N[C@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000254501791 JK Annotated Clean CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)c(=Nc3ccccc3C)oc2cc1O ZINC000254503796 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2csc(=Nc3cccc4ccccc34)n2C)cc1 ZINC000254504667 JK Annotated Anodyne C/C(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C\c1ccccc1 ZINC000254515119 JK Annotated Reactive Cc1ccc(Nc2nc(NN=Cc3ccccc3[N+](=O)[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000254516341 JK Annotated Mild Cc1c(C#N)c(N=CN(C)C)c(C(=O)c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000254615778 JK Annotated Mild O=C(NN=Cc1c[nH]c2ccc(Br)cc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000254740311 JK Annotated Reactive aggregator Cc1ccc(Nc2nc(NN=Cc3cccc(O)c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000254742906 JK Annotated Mild Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000254760442 JK Annotated Mild CC/C(=C/C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)O)CC[C@H]1C ZINC000254822189 JK Annotated Anodyne COC(=O)c1ccccc1Sc1c(C=NOCc2ccc(Cl)cc2)c(C(F)(F)F)nn1C ZINC000254876351 JK Annotated Mild aggregator CCCCN(C(C)=O)[S@](=O)(=NC(=O)N(C(C)=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000025974943 JK Annotated Anodyne COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(C(C)(C)C)c1 ZINC000025978120 JK Annotated Anodyne COC(=O)C(C)(C)CCCOc1cc(OCCCC(C)(C)C(=O)OC)c(Cl)cc1Cl ZINC000025979215 JK Annotated Anodyne COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(Br)c1 ZINC000025980250 JK Annotated Anodyne COC(=O)C(C)(C)CCCOc1ccc(Br)c(OCCCC(C)(C)C(=O)OC)c1 ZINC000025980365 JK Annotated Anodyne COC(=O)C(C)(C)CCCSc1ccc(Cl)c(SCCCC(C)(C)C(=O)OC)c1 ZINC000025980371 JK Annotated Anodyne CC(C)(C)c1ccc(CN2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 JK Annotated Anodyne CC(C)(C)c1ccc(CN2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 JK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(Cc2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025984437 JK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025984445 JK Annotated Anodyne O=C(c1ccccc1)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)c(Cl)c1)c1ccccc1 ZINC000025988271 JK Annotated Anodyne O=C(c1ccccc1)[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)c(Cl)c1)c1ccccc1 ZINC000025988278 JK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C/C2=N\O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025988887 JK Annotated Mild CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3 ZINC000025989150 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025989593 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025989603 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025989610 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025989616 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025991480 JK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025991487 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025991497 JK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025991503 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3 ZINC000025992142 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025992814 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025992821 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000025992826 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025993684 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025993690 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025993697 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H](O)[C@@]3(C)CC[C@]12C3 ZINC000025993707 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025993814 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025993819 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025993826 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025993833 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025994854 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C[C@@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025994858 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025994865 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025994871 JK Annotated Anodyne CC(=O)O[C@@H]1S[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025998201 JK Annotated Anodyne CC(=O)O[C@H]1S[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025998211 JK Annotated Anodyne CC(=O)O[C@@H]1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025998218 JK Annotated Anodyne CC(=O)O[C@H]1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000025998225 JK Annotated Anodyne CC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)[C@]45CO[C@@]3(CC[C@H]21)[C@H]4CC(C)(C)C[C@@H]5O ZINC000255191407 JK Annotated Anodyne C/C(=C\C(=O)C[C@@H](C)[C@@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000255191561 JK Annotated Mild C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000255191563 JK Annotated Mild C/C(=C\C(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000255191565 JK Annotated Mild CC[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000255191580 JK Annotated Anodyne CO[C@@H]1CC[C@]23C[C@]24CC[C@@]2(C)[C@@](C)(CC[C@@]25O[C@@]2(C[C@@H](C)C(=O)O2)C[C@H]5C)[C@@H]4CC[C@@H]3C1(C)C ZINC000255191613 JK Annotated Anodyne CO[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@]5(CC[C@]2(C)[C@@H]4CC[C@H]3C1(C)C)O[C@]1(C[C@@H]5C)C[C@@H](C)C(=O)O1 ZINC000255191615 JK Annotated Anodyne CO[C@@H]1CC[C@]23C[C@]24CC[C@@]2(C)[C@@](C)(CC[C@@]25O[C@@]2(C[C@@H](C)C(=O)O2)C[C@H]5C)[C@@H]4CC[C@H]3C1(C)C ZINC000255191618 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000255191810 JK Annotated Mild C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000255191814 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@H](O)[C@]23C)O1 ZINC000255191856 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]21C ZINC000255191859 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@H](O)[C@]23C)O1 ZINC000255191862 JK Annotated Anodyne CC(=O)O[C@H]1[C@H](C=C(C)C)O[C@@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@H]2[C@@H]1C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 ZINC000255191913 JK Annotated Anodyne CC(C)[C@H](C)CC[C@](C)(O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255192002 JK Annotated Anodyne C[C@@H]([C@@H]1O[C@H]1[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255192182 JK Annotated Anodyne C[C@@H]([C@@H]1O[C@H]1[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255192185 JK Annotated Anodyne C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1O[C@@H]1[C@H](O)C(C)(C)O ZINC000255192190 JK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]45CCC[C@@H]4[C@]2(CCC(=O)[C@]2(C)CO[C@]4(C)CC[C@H]2O4)[C@@H]1N5[C@@H]3O ZINC000255192503 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1N5[C@H]3O ZINC000255192510 JK Annotated Anodyne C[C@@H](CO)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255193090 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255193421 JK Annotated Anodyne C[C@@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@H](O)C[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255193422 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000255193431 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(C(C)C)=C4CC[C@]23C)C1(C)C ZINC000255193979 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(C(C)C)=C4CC[C@]23C)C1(C)C ZINC000255193980 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000255193981 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C ZINC000255193988 JK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]34CC[C@H]5[C@@H]6OO[C@@H]6CC[C@]5(C)[C@H]3[C@@H](OO4)C(=O)[C@]12C ZINC000255194878 JK Annotated Reactive C=C(CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000255194947 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000255194953 JK Annotated Mild CO[C@@H](CCCC(C)(C)OC)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255194970 JK Annotated Anodyne C=C(C)[C@@](C)(O)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C ZINC000255195076 JK Annotated Mild CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]45CCC[C@@H]4[C@]2(CCC(=O)[C@@]2(C)CO[C@]4(C)CC[C@H]2O4)[C@@H]1N35 ZINC000255195082 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255195088 JK Annotated Mild C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255195091 JK Annotated Mild CCO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000255195945 JK Annotated Anodyne CC(C)(O)[C@H](O)[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255195958 JK Annotated Anodyne CC(C)(O)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255195959 JK Annotated Anodyne CC(C)(O)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255195960 JK Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000255195961 JK Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255195962 JK Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255195963 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC=C1[C@@H]2CC[C@@]2(C)[C@H]([C@@H]3C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]3O)CC[C@]12C ZINC000255195964 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255196209 JK Annotated Anodyne C=C(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255196277 JK Annotated Mild CC(C)C[C@H]1C[C@H]([C@@H]2CC[C@H]3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4C[C@@H](O)[C@@]32C)C(=O)O1 ZINC000255196327 JK Annotated Anodyne C=C(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255196452 JK Annotated Mild C[C@H]1[C@H](C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)[C@@H](O)C2)[C@H]13 ZINC000255196460 JK Annotated Anodyne C[C@@H]([C@@H]1O[C@H]1[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255196646 JK Annotated Anodyne C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1O[C@@H]1[C@H]1OC1(C)C ZINC000255196649 JK Annotated Anodyne C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1O[C@@H]1[C@H]1OC1(C)C ZINC000255196651 JK Annotated Anodyne C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255196730 JK Annotated Anodyne C[C@@H](CC[C@H]1OOC(C)(C)O1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@]12C ZINC000255196903 JK Annotated Reactive CC[C@]1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H]5CO[C@@](C)(O)[C@@H]5[C@@H](OC(C)=O)C[C@@H]4[C@]3(C)CC[C@@H]21 ZINC000255196917 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2[C@@H](O)C[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255196944 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000255197064 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255197066 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255197068 JK Annotated Mild CO[C@H]1OCC[C@@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255197257 JK Annotated Mild C[C@H](C/C=C/C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255197310 JK Annotated Anodyne C[C@H](C/C=C\C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255197311 JK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@H]4[C@@]56CCCC(C)(C)[C@@H]5C[C@H](OC6=O)[C@]4(O)[C@@]3(C)CC[C@@]21C ZINC000255197340 JK Annotated Anodyne CC1=C[C@@]2(C[C@H]([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@H](C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]34C)CO2)OC1=O ZINC000255197349 JK Annotated Anodyne C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]34CC[C@@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000255197404 JK Annotated Mild C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000255197405 JK Annotated Mild C=C(CC/C=C(/C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000255197406 JK Annotated Mild C/C=N\[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5O[C@]6(O)C[C@@H](C)CN[C@H]6[C@H](C)[C@H]5[C@@]4(C)CC[C@H]32)C1 ZINC000255197464 JK Annotated Mild C/C(=C/CC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO ZINC000255197553 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255197566 JK Annotated Mild CO[C@]1(C)[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C ZINC000255197637 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@]1(C)CC=C2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C)C(=O)O ZINC000255197649 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000255197650 JK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000255197668 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(CO)C(=O)CCC(C)(C)[C@H]3CC[C@]21C ZINC000255197679 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(CO)C(=O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255197680 JK Annotated Anodyne C/C(=C/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(=O)O ZINC000255197687 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255198014 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)C3=CC[C@@]12C ZINC000255198033 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@](O)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)C[C@]3(C)CC[C@@H]12 ZINC000255198583 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]12 ZINC000255198589 JK Annotated Anodyne C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C ZINC000255198684 JK Annotated Mild C=C(CC)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255198688 JK Annotated Mild C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)C[C@H]4OC(=O)[C@@]5(CC[C@@]6(C)CCC(C)(C)C[C@@H]6[C@]45C)[C@H]3CC[C@@]21C ZINC000255198720 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)C[C@@H]5C=C(C)C(=O)O5)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@@H]2C1(C)C ZINC000255198730 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45OC[C@]3(C(=O)C[C@]12C)[C@@H]4CC[C@H](O)[C@@H]5C)C(=O)O ZINC000255198739 JK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H]6O[C@@H](OC6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 ZINC000255199291 JK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)[C@@H]6O[C@@H](OC6=O)C(C)(C)[C@H]5CC[C@]43C)[C@@]2(C)CC1 ZINC000255199296 JK Annotated Anodyne C/C(=C\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255199495 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@](C)(O)C(C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255199566 JK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)C(C)C ZINC000255199686 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)[C@@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255199881 JK Annotated Mild C=C(C)[C@@H](C)CC[C@@H](C(=O)O)[C@H]1CC[C@]2(C)C1=CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000255199913 JK Annotated Mild CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@@H](C)N(C)C[C@]45[C@H](OC(=O)CC=C(C)C)C[C@H]32)C1 ZINC000255199957 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4)C(C)C ZINC000255200027 JK Annotated Reactive CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255200220 JK Annotated Mild CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@@H](C)[C@@H](O)CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@H]2C1 ZINC000255200222 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@@H]2C1(C)C ZINC000255200258 JK Annotated Mild CO[C@H]1CC[C@@]2(C)C3=CC(=O)[C@@]4(C)[C@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255200260 JK Annotated Mild CC(C)[C@H]1C[C@@H](O)[C@@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O ZINC000255200380 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)C[C@H](O)[C@]3(C)C(=C(O)C(=O)[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255200717 JK Annotated Mild C=C(C)C(=C)[C@H](O)[C@H](O)[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255200718 JK Annotated Mild C=C(C)C(=C)[C@H](O)[C@H](O)[C@@H](CO)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255200719 JK Annotated Mild C=C(C)C(=C)[C@H](O)[C@@H](O)[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255200720 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255200721 JK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@H]1[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255200749 JK Annotated Anodyne CC(=O)O[C@](C)(CCC=C(C)C)[C@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]12C ZINC000255200766 JK Annotated Anodyne C[C@@H]1C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000255200787 JK Annotated Anodyne CC(C)[C@]1(CO)CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000255200789 JK Annotated Anodyne CC(C)[C@]1(CO)CC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000255200790 JK Annotated Anodyne CO[C@@](C)(CO)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C ZINC000255200818 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3/C(C)=C/CCC(=O)O)[C@]2(C)[C@@H]1O ZINC000255200824 JK Annotated Mild CC(=O)O[C@H]1[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3/C(C)=C\CCC(=O)O)[C@]2(C)[C@@H]1O ZINC000255200825 JK Annotated Mild C[C@@H]1CCC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255200841 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@H]1[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255200849 JK Annotated Anodyne C[C@@H]1[C@H]2OC(C)(C)[C@@H](O)[C@@]2(O)O[C@H]2C[C@]3(C)C4=C(CC[C@]3(C)[C@H]21)C[C@]12CC[C@H](O1)C(C)(C)[C@@H]2CC4 ZINC000255200993 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](OC=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255201154 JK Annotated Mild CC(C)[C@](C)(O)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C ZINC000255201201 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)CO ZINC000255201236 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)CO ZINC000255201237 JK Annotated Anodyne C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3 ZINC000255201306 JK Annotated Mild CC1=CC[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000255201572 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2)(C(=O)C[C@@H]2[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 ZINC000255201618 JK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5[C@]4(C)C[C@@H](O)[C@H](O)[C@@]5(C)C(=O)O)[C@@]3(C)CC[C@]12C ZINC000255201824 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000255201829 JK Annotated Anodyne C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C ZINC000255201920 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H](/C(C)=C\C(=O)CC(C)C)CC[C@H]4[C@@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000255201938 JK Annotated Mild C=C(CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255201944 JK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255201954 JK Annotated Mild C=C(C)C(C)(C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255202013 JK Annotated Mild C=C(C)C(C)(C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255202014 JK Annotated Mild C=C1[C@H](C(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]21C ZINC000255202052 JK Annotated Mild CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000255202080 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000255202081 JK Annotated Anodyne C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255202108 JK Annotated Mild C=C(C)[C@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255202109 JK Annotated Mild CC/C=C/[C@H]1C/C=C/C=C\[C@@H](OC)C[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000255202249 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255202429 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](O)C[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255202432 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@H]3C[C@@H]4O[C@H](C(=O)C(C)C)C[C@@H](C)[C@@H]4[C@@]3(C)CC[C@H]12 ZINC000255202451 JK Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(O)[C@@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)C[C@@H]3O ZINC000255202556 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000255202654 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000255202656 JK Annotated Anodyne C=C1C=C(C)[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12C ZINC000255202783 JK Annotated Mild COC(=O)[C@@]12C(O)=C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000255202865 JK Annotated Mild C=C(CC/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@H](O)C[C@]12C ZINC000255202918 JK Annotated Reactive CC(=O)OCCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@]21C ZINC000255203064 JK Annotated Anodyne CC(=O)O[C@H]1[C@H](C=C(C)C)O[C@@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@H]2[C@@H]1C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC4 ZINC000255203113 JK Annotated Anodyne CC(=O)O[C@H]1[C@H](C=C(C)C)O[C@@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@H]2[C@@H]1C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC4 ZINC000255203114 JK Annotated Anodyne C=C(C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](O)C(C)C ZINC000255203380 JK Annotated Mild CC(C)[C@]1(C)CC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C(O)=C[C@]5(C)C4=CC[C@]23C)CO1 ZINC000255203468 JK Annotated Mild C/C=C(\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255203555 JK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255203655 JK Annotated Mild C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132 ZINC000255204212 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H]3O[C@@]312 ZINC000255204219 JK Annotated Anodyne C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000255204384 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@]1(C(C)(C)O)O[C@@H]1C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 ZINC000255204591 JK Annotated Anodyne C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255204593 JK Annotated Mild CC(C)=CC1=C(C)[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)OC1 ZINC000255204613 JK Annotated Anodyne C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255204622 JK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@@H](OC)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255204656 JK Annotated Mild C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1 ZINC000255204694 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000255204718 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@@]57CC[C@@]43C)O2)OC1=O ZINC000255204739 JK Annotated Anodyne C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204930 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204933 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255204934 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204936 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204938 JK Annotated Mild C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204941 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204942 JK Annotated Mild C/C(=C\CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255204971 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2[C@@]13CO[C@@H](C3)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12C ZINC000255204983 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@@H](C[C@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000255205080 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000255205096 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255205287 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255205342 JK Annotated Anodyne C[C@@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255205343 JK Annotated Anodyne C[C@@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255205344 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]4[C@H](C[C@H]32)O[C@@]2(OC[C@@H](C)C[C@@H]2O)[C@H]4C)C1 ZINC000255205363 JK Annotated Anodyne C[C@H](CC[C@@H]1O[C@@]1(C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255205422 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]45CC[C@H](OC4)C(C)(C)[C@@H]5CC[C@]23C)[C@H]1C(C)C ZINC000255205427 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@]45CC[C@H](OC4)C(C)(C)[C@H]5CC[C@]23C)[C@H]1C(C)C ZINC000255205428 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@](C)([C@@]2(C)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255205462 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@](C)([C@@]2(C)CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255205463 JK Annotated Anodyne CC(C)[C@H](C)CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255205501 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255205748 JK Annotated Mild C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255205750 JK Annotated Mild CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255205804 JK Annotated Anodyne CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255205806 JK Annotated Anodyne CC1(C)OC[C@H]([C@@H]2CC[C@@H]3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]32C)C[C@@H](O)[C@@H]1O ZINC000255205814 JK Annotated Anodyne CO[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@H]([C@@H](C)CC[C@@H](O)[C@@](C)(O)CO)CC[C@]4(C)[C@H]3CC[C@@H]2C1(C)C ZINC000255205843 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255205867 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000255206141 JK Annotated Anodyne CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255206194 JK Annotated Anodyne CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255206198 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)[C@H](C)C(=O)OC ZINC000255206611 JK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@H]1[C@]3(C)[C@@H](CC[C@]12C)C(C)(C)[C@@H](C(=O)OC)C[C@@H]3C(=C)C ZINC000255206716 JK Annotated Mild C=C(C)[C@@H](O)CC[C@H](C(=O)OC)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000255206744 JK Annotated Mild C/C(=C\C(=O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000255206918 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207020 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207023 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207025 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000255207028 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207030 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207032 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207035 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207036 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255207038 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000255207219 JK Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@@H]12 ZINC000255207253 JK Annotated Anodyne CO[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255207445 JK Annotated Anodyne CO[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255207446 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@H]4[C@@H](CC[C@@]5(C)CC[C@@H](C(C)C)[C@H]45)[C@]3(C)CC[C@H]2C1(C)C ZINC000255207545 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255207558 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255207559 JK Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255207608 JK Annotated Mild C=C(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255207609 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CC(=O)C=C(C)C)[C@@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000255207759 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@H](C(C)C)CC[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255208058 JK Annotated Anodyne C=C(CC[C@@H](C)[C@@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O ZINC000255208202 JK Annotated Mild C=C(CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(C(=O)C[C@]21C)[C@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O ZINC000255208204 JK Annotated Mild CC(C)(O)[C@@H]1OC[C@H]([C@@H]2CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)C[C@H]1O ZINC000255208509 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(C)CC[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](O)OC6 ZINC000255208551 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(C)CC[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](O)OC6 ZINC000255208552 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@]4(C)CC[C@@]23C)[C@@H](O)O1 ZINC000255208584 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@](C)(O)CO6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@@H]2C1 ZINC000255208592 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]4[C@H](C[C@H]32)O[C@]2(CC[C@](C)(O)CO2)[C@H]4C)C1 ZINC000255208593 JK Annotated Anodyne CC(C)=C[C@H]1C[C@H]([C@@H]2[C@@H](O)C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)C(=O)O1 ZINC000255208615 JK Annotated Mild C=C(CC[C@@H](C(=O)NO)[C@H]1[C@@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255208662 JK Annotated Mild CC(=O)OC[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35C=C[C@]12C ZINC000255208733 JK Annotated Mild C[C@@]12CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208753 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]13C)C2 ZINC000255208754 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]13C)C2 ZINC000255208755 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208756 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208757 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208758 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]13C)C2 ZINC000255208759 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208760 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208761 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]1CC[C@@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255208762 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@]13C)C2 ZINC000255208763 JK Annotated Anodyne C[C@@H](CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255208830 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](C)C(=O)O ZINC000255208873 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O ZINC000255208874 JK Annotated Mild C=C(CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O ZINC000255208875 JK Annotated Mild CC(C)(O)[C@H]1O[C@H](O)[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)CC1=O ZINC000255208941 JK Annotated Anodyne C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255208955 JK Annotated Anodyne C[C@H]1[C@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255208956 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000255208966 JK Annotated Anodyne C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209001 JK Annotated Mild CC(C)(O)[C@H]1C[C@H]2O[C@]34C[C@]5(CO3)[C@H](CC[C@@H]3[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]35C)[C@H]4[C@@]2(C)O1 ZINC000255209020 JK Annotated Anodyne CC(C)(O)[C@@H]1OC(=O)[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C[C@@H]1O ZINC000255209022 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC=C1[C@@H]2CC[C@@]2(C)[C@H]([C@@H]3C[C@@H](O)[C@H](C(C)(C)O)OC3=O)CC[C@]12C ZINC000255209023 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1C[C@H]([C@@H]2CC[C@@]3(C)[C@@]2(C)CC=C2[C@@]4(C)CCC(=O)C(C)(C)[C@H]4C[C@@H]4O[C@]243)[C@H](O)O1 ZINC000255209033 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=CC[C@@]4(C)[C@H]([C@@H]5C[C@H]([C@H]6OC6(C)C)O[C@@H]5O)CC[C@]4(C)[C@@]34O[C@H]4C[C@H]12 ZINC000255209034 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000255209119 JK Annotated Anodyne C[C@H]([C@@H](O)/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209123 JK Annotated Anodyne C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CCC(=O)C4(C)C)[C@]3(CC)CC[C@]12C ZINC000255209131 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@@H]3CC[C@]12C ZINC000255209155 JK Annotated Mild COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21 ZINC000255209165 JK Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209252 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@H]4C[C@H](O)[C@@]32C)C(=O)O1 ZINC000255209278 JK Annotated Mild C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C)CO ZINC000255209326 JK Annotated Anodyne C[C@@H]1[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC[C@]2(CC[C@H]1C)C(=O)O4 ZINC000255209350 JK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209360 JK Annotated Mild C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209361 JK Annotated Mild C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209362 JK Annotated Mild C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209363 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3C(=O)C[C@]21C ZINC000255209481 JK Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)C(C)C ZINC000255209531 JK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C)C(C)C ZINC000255209532 JK Annotated Mild CCO[C@@H]1C=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)[C@@H]23)[C@@]2(C)CCC(=O)C[C@]12O ZINC000255209667 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000255209682 JK Annotated Anodyne CC(C)=CC(=O)[C@H](O)[C@H](C)[C@@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]45C[C@]35CC[C@@]12C ZINC000255209713 JK Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255209730 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255209768 JK Annotated Mild CC(C)[C@@H]1O[C@H]1C[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209868 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C(=O)O)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255209968 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C(=O)O)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255209972 JK Annotated Anodyne COC(C)(C)/C=C1/C=C([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255210037 JK Annotated Anodyne CC[C@@H](OC)C(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3 ZINC000255210377 JK Annotated Mild COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000255210383 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)CC[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000255210390 JK Annotated Anodyne C=C(CC[C@@H](CO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255210523 JK Annotated Mild CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255210816 JK Annotated Anodyne C[C@H]1[C@@H](O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000255210955 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)CCC(C(C)C)=C5C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000255211290 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@@]4(C)[C@H](C)CC(=O)/C=C(\C)C(=O)O)C3=CC[C@H]2C1(C)C ZINC000255211561 JK Annotated Mild CO[C@@H]1O[C@H]([C@H]2OC2(C)C)C[C@@H]1[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000255211665 JK Annotated Anodyne C/C(=C/[C@@H](C)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO ZINC000255211677 JK Annotated Mild C/C(=C\[C@@H](C)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO ZINC000255211678 JK Annotated Mild C[C@@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000255211689 JK Annotated Anodyne C[C@@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]2(C)CC1 ZINC000255211690 JK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(=CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@@]2(C)CC[C@@H]([C@H]3CO[C@@H](C=C(C)C)C3)[C@]12C ZINC000255211723 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000255211855 JK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](CC)C(C)C)CC[C@@]12OO ZINC000255211860 JK Annotated Reactive CC(C)/C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)=N/O ZINC000255211875 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)CC ZINC000255211903 JK Annotated Mild CC(C)=C[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255211948 JK Annotated Mild C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000255212015 JK Annotated Mild CC(=O)O[C@H]1[C@@H](C)[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12OC(=O)[C@@H](C)[C@H]2C ZINC000255212016 JK Annotated Mild C=C(C)[C@]12CC[C@@]3(CC[C@]4(C(=O)OC)[C@@H](CC[C@H]5[C@@]6(C)C=CC(C)(C)[C@@H]6CC[C@]54C)[C@H]13)C(=O)O2 ZINC000255212022 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@]23C)O1 ZINC000255212057 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@]23C)O1 ZINC000255212058 JK Annotated Anodyne CC(C)=CCC[C@@](O)(CO)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(CO)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255212060 JK Annotated Anodyne C=C(C)[C@@H](CC)CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000255212094 JK Annotated Mild C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255212095 JK Annotated Mild C[C@@H](C/C=C\C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC(=O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255212123 JK Annotated Mild C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC(=O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255212124 JK Annotated Mild CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255212165 JK Annotated Anodyne CC(C)(O)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255212166 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000255212208 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255212209 JK Annotated Anodyne C[C@@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255212210 JK Annotated Anodyne C[C@@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255212211 JK Annotated Anodyne C[C@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000255212212 JK Annotated Anodyne C=C(C)[C@]1(O)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]21 ZINC000255212457 JK Annotated Mild C=C(C)[C@]1(O)CC[C@@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000255212458 JK Annotated Mild CC(C)CCC[C@@H]1OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@]13O ZINC000255212516 JK Annotated Anodyne CC[C@@]1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H](CCC=C(C)C)C(=O)OC)[C@@H](O)C[C@]4(C)C3=CC[C@@H]12 ZINC000255212933 JK Annotated Anodyne C=C(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C ZINC000255213042 JK Annotated Mild C=C(C)C(C)(C)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@H](OC)CC[C@@]4(C)C3=CC[C@@]12C ZINC000255213044 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(C)C ZINC000255213278 JK Annotated Mild CC(C)[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]13 ZINC000255213289 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@H](O)[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255213515 JK Annotated Mild CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255213532 JK Annotated Anodyne C=C(C)[C@@H]1[C@@H]2O[C@@H]2[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000255213962 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C(=O)C=C4C(=CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)C[C@@H](O)[C@]12C ZINC000255214101 JK Annotated Mild C[C@H](C[C@H](O)C(C)(C)C(=O)O)[C@@H]1CC[C@@]2(C)C1=C[C@H](O)[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000255214130 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O ZINC000255214137 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000255214138 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1C[C@H]3O)[C@@H](C)C(=O)O ZINC000255214139 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@H]3O)[C@@H](C)C(=O)O ZINC000255214140 JK Annotated Mild CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H]3[C@@H]1CO1)C(C)C ZINC000255214163 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@](C)(CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255214314 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@]5(C(C)C)O[C@]54CC[C@]23C)C1(C)C ZINC000255214328 JK Annotated Anodyne CC1=C[C@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O ZINC000255214519 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)C ZINC000255214556 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=C(O)C(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255214596 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@](O)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)[C@H]1O ZINC000255214648 JK Annotated Anodyne C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255214688 JK Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)[C@@H]12 ZINC000255214763 JK Annotated Mild CC(C)=CCC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255214812 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000255214865 JK Annotated Mild CC1=C[C@@]2(C[C@@H]([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]34C)CO2)OC1=O ZINC000255215627 JK Annotated Anodyne CC(C)=CCC[C@H]1C(=O)O[C@@H]2C=C3[C@@](C)(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@@H](O)[C@@]34C)[C@@H]21 ZINC000255217534 JK Annotated Anodyne CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O ZINC000255217809 JK Annotated Mild CCC[C@H]1O[C@@H]1/C=C/C(=O)O[C@H]1C[C@@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)C[C@@H]3/C=C/1C)C2(C)C ZINC000255218034 JK Annotated Mild C=C1C[C@@H]2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@H]12 ZINC000255218061 JK Annotated Mild C=C1C[C@H]2C(=CC[C@H]3C(C)(C)[C@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@H]12 ZINC000255218062 JK Annotated Mild C=C1C[C@@H]2C(=CC[C@H]3C(C)(C)[C@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@H]12 ZINC000255218063 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)[C@H]1O ZINC000255218089 JK Annotated Anodyne CC1(C)C[C@@H]2CO[C@]34C[C@]5(CO3)[C@H](CC[C@H]3[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]35C)[C@H]4[C@@]2(C)O1 ZINC000255218108 JK Annotated Anodyne C=C(C)[C@](C)(CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255218169 JK Annotated Mild C=C(C)[C@H](O)C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000255218190 JK Annotated Mild C=C(C)[C@@H](O)C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000255218191 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)CC(=O)CC(C)C)[C@@H]3CC(=O)[C@H]2C1 ZINC000255218249 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=C[C@H](O)[C@]23C)OC1=O ZINC000255218261 JK Annotated Anodyne C=C(CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O ZINC000255218609 JK Annotated Mild CC(C)[C@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O ZINC000255218627 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255218786 JK Annotated Anodyne C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000255218894 JK Annotated Anodyne CC1(C)C=CC[C@@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255218946 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CC[C@@H](C)[C@H](C)[C@H]5[C@]4(C)[C@H]4O[C@H]4[C@H]23)C1(C)C ZINC000255219011 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000255219031 JK Annotated Mild CC1(C)CC[C@@H]([C@@](C)(O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255219066 JK Annotated Anodyne C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1O[C@@H]1[C@H](O)C(C)(C)O ZINC000255219110 JK Annotated Anodyne C[C@@H]([C@@H]1O[C@H]1[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255219111 JK Annotated Anodyne C[C@@H]([C@@H]1O[C@@H]1[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255219112 JK Annotated Anodyne C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@H]1O[C@@H]1[C@H](O)C(C)(C)O ZINC000255219113 JK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255219153 JK Annotated Anodyne CC(C)=C[C@H](O)C[C@H](CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255219154 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(CC[C@]21C)O[C@@]1(C(C)(C)O)CC[C@]3(C)O1 ZINC000255219212 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(CC[C@]21C)O[C@@]1(C(C)(C)O)CC[C@]3(C)O1 ZINC000255219213 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3C[C@H]3O[C@@]231 ZINC000255219247 JK Annotated Anodyne in-vitro C[C@H]1[C@@]2(O)OC[C@@]13CC[C@H]1[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]14C)[C@@H]3CC2=O ZINC000255219299 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255219314 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255219315 JK Annotated Anodyne CO[C@H]1O[C@@H]2CC[C@]13C1=C(CC[C@H]3C2(C)C)[C@]2(C)CC[C@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)[C@@]2(C)CC1 ZINC000255219402 JK Annotated Anodyne CO[C@H]1O[C@H](C=C(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000255219553 JK Annotated Anodyne CO[C@]1([C@H]2OC2(C)C)C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255219603 JK Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000255219610 JK Annotated Mild CC(=O)O[C@@H]1CC[C@H]2[C@]3(C)C[C@H]4OC(=O)[C@@]5(CC[C@@]6(C)CCC(C)(C)C[C@@H]6[C@]45C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000255219700 JK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C=O ZINC000255219748 JK Annotated Mild CC(C)[C@@H](C)[C@@]1(C)C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C=O ZINC000255219749 JK Annotated Mild CC(C)(O)/C=C/C[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219756 JK Annotated Anodyne CC(C)(O)/C=C\C[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219757 JK Annotated Anodyne CC(C)(O)/C=C\C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219758 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255219759 JK Annotated Anodyne CC(C)(O)/C=C/C[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219760 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219761 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219762 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255219763 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000255219840 JK Annotated Anodyne C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255219841 JK Annotated Anodyne C[C@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000255219859 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255219860 JK Annotated Anodyne C=C(C)C(CC)(CC)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C ZINC000255219874 JK Annotated Mild C=C(C)[C@H](C)[C@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255219925 JK Annotated Mild C=C(C)[C@H](C)[C@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255219926 JK Annotated Mild CC[C@@H](O)C[C@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@]23C[C@@]24CCCC(C)(C)[C@@H]4CC[C@@]13C ZINC000255219946 JK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@](C)(CC)C(C)C)CC[C@@]12C ZINC000255220016 JK Annotated Mild CC1(C)CC[C@H]([C@]2(C)OC(=O)[C@]34CC=C5C(=CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]3(C)CC[C@@H]42)O1 ZINC000255220048 JK Annotated Anodyne C[C@@]12CC[C@H]3[C@](C)(CC[C@H](O)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255220140 JK Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](C)(CC[C@H](O)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255220141 JK Annotated Anodyne C/C(=C\CC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)CO ZINC000255220202 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)C[C@@H]5C[C@@H](C)C(=O)O5)CC[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000255220225 JK Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@H]3C1 ZINC000255220270 JK Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@H]3C1 ZINC000255220271 JK Annotated Anodyne CC(C)[C@]12O[C@]13[C@H]1CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC[C@@]3(C)C[C@@H]2O ZINC000255220276 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@@H]3O[C@]132 ZINC000255220340 JK Annotated Anodyne C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C)[C@@H](C[C@H]12)S[C@H]1C[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C[C@@]13C ZINC000255220343 JK Annotated Anodyne CC1(C)O[C@@H]1[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)C=C[C@]5(C)[C@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000255220455 JK Annotated Anodyne COC(=O)/C(C)=C/CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000255220464 JK Annotated Mild COC(=O)/C(C)=C\CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000255220465 JK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000255220507 JK Annotated Anodyne C=C1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H](O)[C@@H]5C)[C@]4(C)CC[C@]23C(=O)O)C[C@@H]1O ZINC000255220546 JK Annotated Mild C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)C(O)=C[C@]4(C)[C@H]3CC[C@@]12C ZINC000255220580 JK Annotated Mild CC(C)=C[C@@H]1O[C@@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@H]2[C@H](C)[C@H]1O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 ZINC000255220704 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000255220717 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)[C@H](O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255220806 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H](C)/C=C/CC(C)C)CC[C@@H]4[C@]34C=C[C@@]2(C1)OO4 ZINC000255220818 JK Annotated Reactive [O-][N@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 ZINC000255220900 JK Annotated Bother C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255220903 JK Annotated Mild CC1(C)CC[C@H]([C@@]2(C)OC(=O)[C@]34CC=C5C(=CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]3(C)CC[C@]24O)O1 ZINC000255220914 JK Annotated Anodyne CC1(C)CC[C@H]([C@]2(C)OC(=O)[C@]34CC=C5C(=CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]3(C)CC[C@]24O)O1 ZINC000255220915 JK Annotated Anodyne CC(C)(O)[C@@H]1OC[C@H]([C@@H]2CC[C@@H]3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]32C)C[C@H]1O ZINC000255220933 JK Annotated Anodyne CC(C)(CO)CC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255221024 JK Annotated Anodyne CC1=C[C@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=C(CC[C@]32C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000255221097 JK Annotated Anodyne C[C@@H](C[C@@H](O)C(C)(C)C=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255221102 JK Annotated Mild C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255221120 JK Annotated Mild C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255221121 JK Annotated Mild C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255221122 JK Annotated Mild C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC3)C(C)C ZINC000255221142 JK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)[C@@H]4O[C@@H](OC4=O)C(C)(C)[C@H]3CC[C@]21C ZINC000255221233 JK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)[C@@H]4O[C@@H](OC4=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255221234 JK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CCC1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255221310 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5C[C@H]5O[C@]54C[C@]3(C)CC[C@H]2C1(C)C ZINC000255221313 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@@]45O[C@@H]4C[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]5CC[C@H]32)C1(C)C ZINC000255221314 JK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC[C@H]3[C@H](C)[C@@H](O)C[C@H](O)[C@]3(C)C2=O)[C@]1(C)CCO)[C@H](C)C(C)C ZINC000255221371 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000255221383 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@]2(C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]32C)O1 ZINC000255221397 JK Annotated Anodyne C=C1C[C@@H]2[C@](C)(C[C@@H]1O)C[C@@H]1OC(=O)[C@]23CC[C@@]2(C)[C@@H]4CCC(=O)[C@H](C)[C@@]4(C)CC[C@@H]2[C@@]13C ZINC000255221398 JK Annotated Mild CC(C)(O)/C=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255221401 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255221423 JK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2C[C@H](O)[C@]2(C)[C@@H](C=O)[C@H](C(C)=O)[C@H](OC(C)=O)C[C@H]21 ZINC000255221477 JK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@@H](OC(C)=O)[C@@H](C(C)=O)[C@H](C=O)[C@@]3(C)[C@@H](O)C[C@H]21 ZINC000255221478 JK Annotated Mild CC(C)(/C=C/C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]21)OO ZINC000255221483 JK Annotated Reactive CC(C)(/C=C\C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]21)OO ZINC000255221484 JK Annotated Reactive C[C@H](C[C@@H]1C=C(CO)C(=O)O1)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000255221493 JK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C=O)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000255221494 JK Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C=O)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@@H]12 ZINC000255221495 JK Annotated Mild CC(C)C(=O)N[C@@H]1CC[C@@]23C[C@@]24C(=O)C[C@@]2(C)[C@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@H]4CC[C@H]3C1(C)C ZINC000255221545 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C(=O)C[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255221694 JK Annotated Anodyne CC(C)=C[C@@H]1O[C@H](O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O ZINC000255221697 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255221705 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]13O2 ZINC000255221781 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5C[C@@H]5[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 ZINC000255221805 JK Annotated Reactive CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255221840 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3)[C@H](C)C(=O)OC ZINC000255221927 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3)[C@H](C)C(=O)OC ZINC000255221928 JK Annotated Mild CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255221955 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3[C@H](O)[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000255221960 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]12C)CO ZINC000255222072 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@H]([C@@H]2[C@@H](O)C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255222169 JK Annotated Anodyne CC1(C)[C@H]2C[C@H]3O[C@]34C[C@]3(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@H]4[C@@]2(C)CC[C@H]1O ZINC000255222267 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H]1O[C@]13C[C@]1(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]1CC[C@H]23 ZINC000255222268 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1C[C@H]1O[C@]13C[C@]1(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]1CC[C@@H]23 ZINC000255222269 JK Annotated Anodyne C[C@@H]1CC[C@@H](O)C(C)(C)O[C@@H]2C[C@@]3(C(=O)O)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12 ZINC000255222336 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000255222341 JK Annotated Mild C[C@H]1CC[C@@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000255222355 JK Annotated Anodyne C[C@@H]1CC[C@@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255222356 JK Annotated Anodyne C[C@@H]1CC[C@@H](C(C)(C)O)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000255222357 JK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(CC[C@]43C)O[C@@]3(C(C)(C)O)CC[C@]5(C)O3)[C@@]2(C)CC[C@H]1O ZINC000255222376 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@@](O)(C(C)(C)O)O3)CC[C@]21C ZINC000255222436 JK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]([C@]5(C)CC[C@@](O)(C(C)(C)O)O5)CC[C@]43C)[C@@]2(C)CC[C@H]1O ZINC000255222437 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)CC ZINC000255222491 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255222517 JK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000255222560 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)[C@H]2CC[C@@H](C)C(=O)O2)[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 ZINC000255222588 JK Annotated Anodyne CC(C)[C@@H](C)[C@H](C)[C@@H](O)[C@@]1(C)O[C@]12CC[C@H]1[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255222634 JK Annotated Anodyne C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@]3(C)CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000255222649 JK Annotated Mild C/C=N/[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@@H]3O[C@@]4(O)C[C@@H](C)CN[C@H]4[C@@H](C)[C@@H]32)C1 ZINC000255222690 JK Annotated Mild C/C=N\[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@@H]3O[C@@]4(O)C[C@@H](C)CN[C@H]4[C@@H](C)[C@@H]32)C1 ZINC000255222691 JK Annotated Mild CC(C)[C@H](C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000255222710 JK Annotated Anodyne CC(=O)OCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255222728 JK Annotated Anodyne C=C(CC[C@@H](O)C(=C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C[C@@H]3CC[C@]12C ZINC000255222801 JK Annotated Mild CC1(C)C2=CC[C@@H]3C(=CC[C@]4(C)[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]34C)[C@@]2(C)CC[C@@H]1O ZINC000255222939 JK Annotated Anodyne COC(=O)[C@]12CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@H]1CCC(=O)[C@@H]2C ZINC000255222969 JK Annotated Anodyne C/C(=C/CC[C@@H](C)C1=C2[C@H](C)C[C@@H]3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]2(C)CC1)C(=O)O ZINC000255223008 JK Annotated Anodyne C/C(=C/CC[C@@H](C)C1=C2[C@H](C)C[C@@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]2(C)CC1)C(=O)O ZINC000255223012 JK Annotated Anodyne C/C(C[C@@H](C)[C@H](C)C(C)C)=C1/CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000255223059 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)C[C@H]6O[C@@]6(C(C)C)[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000255223086 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255223341 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000255223452 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3O)[C@H](C)C(=O)OC ZINC000255223688 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1C[C@@H]3O)[C@H](C)C(=O)OC ZINC000255223689 JK Annotated Mild CC1(C)O[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CC[C@@H]1O ZINC000255223743 JK Annotated Anodyne CC(=O)OC[C@@H](C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255224031 JK Annotated Anodyne CC(=O)OC[C@@H](C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255224032 JK Annotated Anodyne C=C(CC[C@@H](O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255224061 JK Annotated Mild CC(C)CC[C@H](O)[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@]13O ZINC000255224115 JK Annotated Anodyne CC(C)CC[C@H](O)[C@@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]2(C)CC[C@]13O ZINC000255224116 JK Annotated Anodyne C=C(C[C@H](O)/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255224120 JK Annotated Reactive C=C(C[C@@H](O)/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255224121 JK Annotated Reactive C[C@H]1C(=O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255224171 JK Annotated Anodyne C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255224172 JK Annotated Anodyne C[C@H]1C(=O)[C@@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255224173 JK Annotated Anodyne C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255224541 JK Annotated Reactive C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](OCC)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000255224663 JK Annotated Mild CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)CO1 ZINC000255224762 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2CC[C@H]2[C@@]4(C)C=C[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255225093 JK Annotated Anodyne CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)OO ZINC000255225231 JK Annotated Reactive CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)OO ZINC000255225236 JK Annotated Reactive CC(C)/C(=C/C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C)CCN(C)C ZINC000255225363 JK Annotated Anodyne C[C@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)C[S@@](=O)[C@@]1(CCN2[C@@H](C1)[C@H](C)CC[C@H]2F)C3 ZINC000255225433 JK Annotated Anodyne C/C(=C\C=C/[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]13C[C@@]14CC[C@@H](O)C(C)(C)[C@@H]4CC[C@H]23)C(=O)O ZINC000255225497 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@@]3(C)CC[C@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000255225551 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000255225552 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@@]3(C)CC[C@@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000255225553 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]([C@@]5(C)CC[C@H]([C@@](C)(O)CO)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000255225554 JK Annotated Anodyne CC[C@@]1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H]5CO[C@@](C)(OC)[C@@H]5[C@@H](OC(C)=O)C[C@H]4[C@]3(C)CC[C@H]12 ZINC000255225581 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)[C@H]1O ZINC000255225589 JK Annotated Anodyne CC1=C[C@@]2(C=C([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)C=C[C@]67C[C@]57CC[C@]34C)C(=O)N2)OC1=O ZINC000255225607 JK Annotated Mild CC1=C[C@]2(C=C([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)C=C[C@@]67C[C@@]57CC[C@]34C)C(=O)N2)OC1=O ZINC000255225608 JK Annotated Mild CC1=C[C@]2(C=C([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)C=C[C@]67C[C@]57CC[C@]34C)C(=O)N2)OC1=O ZINC000255225609 JK Annotated Mild CC1=C[C@@]2(C=C([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)C=C[C@@]67C[C@@]57CC[C@]34C)C(=O)N2)OC1=O ZINC000255225610 JK Annotated Mild C=C(C)[C@H](O)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35C=C[C@]12C ZINC000255225649 JK Annotated Mild CC(=O)OC[C@@H](C)C/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255225672 JK Annotated Anodyne C/C(=C\C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000255225976 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255226069 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255226071 JK Annotated Anodyne CC(C)[C@]1(C)CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255226072 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4[C@H](CC[C@H](O)C4(C)C)C3=CC[C@]12C)C(C)C ZINC000255226358 JK Annotated Mild CCO[C@H]1O[C@@H](C=C(C)C)[C@@H](O)[C@@H]1[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255226764 JK Annotated Anodyne CC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO)/C=C/[C@H]1CC=CC(=O)O1 ZINC000255226951 JK Annotated Anodyne C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255227026 JK Annotated Mild C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H](O)[C@]3(C)CC[C@]12C ZINC000255227438 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@H]([C@H](C)C/C=C(/C)C(C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C ZINC000255227898 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)C/C=C(\C)C(C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255227902 JK Annotated Anodyne C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255228006 JK Annotated Mild CC[C@@H](CC[C@H](C)[C@@H]1C[C@@H](O)C2=C3C(=O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@]3(O)CC[C@]21C)C(C)C ZINC000255228247 JK Annotated Mild C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]2CC5)[C@H]1C ZINC000255228313 JK Annotated Anodyne C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC5)[C@H]1C ZINC000255228314 JK Annotated Anodyne CCCC(=O)N[C@@H]1CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]3C1(C)C ZINC000255228460 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255228801 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000255229002 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000255229005 JK Annotated Mild CC[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CC)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000255229770 JK Annotated Anodyne C=C(C)[C@H](C)[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255230119 JK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](OC(C)=O)C[C@]21C ZINC000255230140 JK Annotated Mild CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@]45CCC[C@@H]4[C@]2(CCC(=O)[C@]2(C)CO[C@]4(C)CC[C@H]2O4)[C@@H]1N[C@@H]35 ZINC000255230660 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@@H](O)O1 ZINC000255230711 JK Annotated Anodyne CC(C)=C[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@@H](O)O1 ZINC000255230714 JK Annotated Anodyne CC(C)=C[C@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](O)O1 ZINC000255230718 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5=CC[C@]43C)[C@@H]12 ZINC000255230786 JK Annotated Mild C=C(C)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255230832 JK Annotated Mild CC(C)c1ccoc1C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=C(O)C(=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255230859 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255230887 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255230890 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1=O ZINC000255231081 JK Annotated Mild C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1=O ZINC000255231086 JK Annotated Mild C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255231156 JK Annotated Anodyne C/C(=C/CC[C@@H](C)C1=C2[C@H](C)CC3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]2(C)CC1)C(=O)O ZINC000255231179 JK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255231356 JK Annotated Reactive CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000255231364 JK Annotated Anodyne CC(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255231723 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(C(C)C)=C4C=C[C@]23C)C1(C)C ZINC000255231729 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)C(=O)C[C@H](O)[C@@H](C(=O)O)[C@@H]1CC3)C(C)C ZINC000255231745 JK Annotated Mild C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45OC[C@]3(C(=O)C[C@]12C)[C@@H]4CCC(=O)[C@@H]5C)C(=O)O ZINC000255231805 JK Annotated Anodyne C[C@H]([C@H](O)C[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255231917 JK Annotated Anodyne CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255232409 JK Annotated Anodyne CC1=C[C@@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255232415 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255232583 JK Annotated Anodyne C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@@]2(C=C[C@H]2[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@]21C)OC3=O ZINC000255233364 JK Annotated Anodyne C=C(CC(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O ZINC000255233412 JK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]3(C)[C@@H]1CC[C@]1(C)C(C)=CCC[C@H]12 ZINC000255233724 JK Annotated Anodyne CC(C)[C@]1(O)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@]21O ZINC000255233822 JK Annotated Anodyne CC(C)[C@@H]1CN([C@H]2CC[C@]3(C)[C@@H](CC[C@H]4[C@H]5CC[C@H]([C@H](C)N(C)C)[C@@]5(C)CC[C@H]43)C2=O)C1=O ZINC000255234190 JK Annotated Anodyne C[C@H]1C(=O)O[C@@H]2OCC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]231 ZINC000255234312 JK Annotated Anodyne in-vitro CC(C)=CC(=O)C[C@H](C)[C@@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]45C[C@]35CC[C@@]12C ZINC000255234344 JK Annotated Mild CC(C)[C@@]1(C)C[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)CO1 ZINC000255235006 JK Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O ZINC000255235215 JK Annotated Anodyne CO[C@@H]1O[C@]23CC[C@]4(C)[C@H](CC[C@H]5[C@@]6(C)CCCC(C)(C)[C@@H]6CC[C@]54C)[C@@]2(C)CC[C@@H]3[C@@H]1C ZINC000255235317 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H]1CC3 ZINC000255235850 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2)(C(=O)C[C@@H]2[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]24C)[C@H]13 ZINC000255235865 JK Annotated Mild C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C(=O)O)[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255235892 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)[C@@H]1C ZINC000255235982 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)[C@@H]1C ZINC000255235984 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@@H](CC[C@@H]4[C@H](C)CC[C@@H](C)C(C)C)C3=CC[C@H]2[C@@H]1C ZINC000255235988 JK Annotated Anodyne C[C@H]1[C@@H](O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)C[C@@H](C(=O)O)[C@@H]5CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255236004 JK Annotated Anodyne C=C(C(C)C)[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC)C(C)(C)[C@@H]1CC3 ZINC000255236151 JK Annotated Mild C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12C ZINC000255236379 JK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)[C@H](C)C(C)C ZINC000255236388 JK Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000255236730 JK Annotated Anodyne CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000255236735 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255236835 JK Annotated Anodyne C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255237410 JK Annotated Mild C=C(C[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255237412 JK Annotated Mild CC(C)(O)/C=C/C[C@](C)(O)[C@H]1[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255237433 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000255237784 JK Annotated Anodyne C=C(C)C(C)(C)[C@@H](C)C[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](OC)CC[C@]4(C)C3=CC[C@]12C ZINC000255237813 JK Annotated Mild C=C(C)C(C)(C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@]4(C)C3=CC[C@]12C ZINC000255237822 JK Annotated Mild C[C@@H]1C[C@@H](C[C@@H](C)[C@@]2(O)CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000255237936 JK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC=C2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000255240039 JK Annotated Anodyne CC(C)[C@@H](O)CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35[C@H](O)C[C@]12C ZINC000255240648 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000255242308 JK Annotated Mild C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000255242314 JK Annotated Mild C=C(C)C[C@H](O)C[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255242369 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2C=C[C@@]24OC(=O)[C@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]34C)C1(C)C ZINC000255243203 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@]24OC(=O)[C@@]5(CC[C@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C ZINC000255243207 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]2(C)CC[C@]13O ZINC000255243536 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)O ZINC000255243936 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)C(=O)O1 ZINC000255243975 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4C[C@@H](O)[C@@]32C)C(=O)O1 ZINC000255243979 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)C ZINC000255244062 JK Annotated Mild C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255244122 JK Annotated Mild CC1(C)CC[C@]23C(=O)O[C@@]4([C@H]5O[C@H]5[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000255244471 JK Annotated Anodyne CC(C)(O)CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255244641 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@]32C)C1(C)C ZINC000255245003 JK Annotated Anodyne CC(C)[C@]1(C)CC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)[C@@H](O)C(=O)C[C@]5(C)C4=CC[C@]23C)CO1 ZINC000255246054 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255246131 JK Annotated Anodyne CC(C)CCC[C@@]1(C)OC(=O)[C@@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255246133 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@H]2[C@@H](C(=O)O)C[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]12 ZINC000255246504 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)CO ZINC000255246755 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H](/C(C)=C\C(=O)CC(C)C)CC[C@H]4[C@@H]3CC(=O)[C@H]2C1 ZINC000255247149 JK Annotated Mild C=C(CC(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000255247499 JK Annotated Mild C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@H]3C(=O)C[C@]12C ZINC000255247936 JK Annotated Anodyne C=C(C(C)C)[C@@H](CC)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255248272 JK Annotated Mild COC(=O)/C(C)=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000255248299 JK Annotated Mild C=C(C)[C@](C)(O)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000255248303 JK Annotated Mild C=C(C)[C@@](C)(O)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000255248307 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C[C@H](O)[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255248313 JK Annotated Mild C=C(C)C(=O)C[C@@H](O)[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000255248373 JK Annotated Mild CC1=C(/C=C/[C@@H](C)[C@H]2CC[C@@H]3C4=CC[C@H]5C(=O)[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)CCN(C)C1 ZINC000255248744 JK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255248825 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000255248828 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]56[C@@H](OC=C[C@H]5[C@]4(C)CC[C@@]3(C)[C@H]2C1)OC(=O)[C@@H]6C ZINC000255248853 JK Annotated Anodyne C/C(=C/[C@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255248897 JK Annotated Anodyne C/C(=C\[C@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255248899 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)CO ZINC000255249685 JK Annotated Anodyne COC(=O)[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255249816 JK Annotated Anodyne COC(=O)[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255249819 JK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255250628 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@H]21)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4 ZINC000255250768 JK Annotated Anodyne C[C@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@H]12)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 ZINC000255250772 JK Annotated Anodyne C[C@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@]3(C)C4=C(CC[C@]3(C)[C@H]12)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 ZINC000255250773 JK Annotated Anodyne CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC(=O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000255251313 JK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@]12OC ZINC000255251332 JK Annotated Mild CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255251600 JK Annotated Reactive CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(CO)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255251807 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(CO)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255251810 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@H]2[C@@H](C(=O)O)C[C@]34C[C@]3([C@H](O)C[C@@H]3[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]12 ZINC000255252389 JK Annotated Anodyne C[C@@H]1C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255252957 JK Annotated Anodyne C[C@@H]1[C@@H]2C[C@@]3(CC[C@]4(CO)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3[C@@H]1C)C(=O)O2 ZINC000255253006 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000255253036 JK Annotated Mild C/C(=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C)CO ZINC000255253974 JK Annotated Anodyne CCO[C@H]1OCC[C@@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255254407 JK Annotated Mild C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@@]1(C)O[C@H]3N4[C@H](c5ccoc5)CC[C@@H](C)[C@@H]4CC[C@@]3(C)O[C@H]21 ZINC000255254845 JK Annotated Anodyne C[C@@H]1C[C@](O)([C@@H]2OC2(C)C)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255254896 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255254906 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C ZINC000255254907 JK Annotated Mild C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255254919 JK Annotated Mild CC(=O)O[C@H]1C=C2[C@H](CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@]2(C)CC[C@]3(C)[C@@H](C(C)C)CC[C@H]3[C@]12C ZINC000255254941 JK Annotated Anodyne CC(=O)O[C@H]1C=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](O)CC[C@]23C)[C@@]2(C)CC[C@]3(C)[C@@H](C(C)C)CC[C@H]3[C@]12C ZINC000255254945 JK Annotated Anodyne Cc1coc(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)c1 ZINC000255255015 JK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CCC(C)(C)C[C@H]42)CC[C@]31C ZINC000255255767 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C/C=C(\C)C(C)C)[C@@H]1C ZINC000255256169 JK Annotated Anodyne COC(=O)[C@@H](C)[C@H]1OC(=O)[C@@H](C)[C@@]1(C)/C=C/C=C/C=C/C=C/C=C(\C)[C@H]1O[C@@H](C)[C@@](C)(O)C=C1C ZINC000255256239 JK Annotated Anodyne CC1(C)O[C@@H]1[C@H]1C[C@@H]([C@@H]2CC[C@@]3(C)[C@@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@H]4O[C@@]243)[C@@H](O)O1 ZINC000255256280 JK Annotated Anodyne CC1=C2CC[C@@H]3[C@H](C(=O)C[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@H](O)C[C@@]34C)[C@H]2CCC1=O ZINC000255256535 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C12)CC[C@]1(OC(C)=O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C ZINC000255256566 JK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)[C@H](C)C(C)C ZINC000255256656 JK Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255256786 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1 ZINC000255256970 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1 ZINC000255256971 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1 ZINC000255256973 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255257149 JK Annotated Mild C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](OC)O1 ZINC000255257197 JK Annotated Mild C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000255257207 JK Annotated Mild C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000255257209 JK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255258131 JK Annotated Mild C[C@H]([C@@H]1CC[C@@H](C)C(=O)O1)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255258442 JK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255258560 JK Annotated Mild CC1=C2CC[C@]3(C)[C@H]([C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@]53C)[C@@]2(C)C=C(O)C1=O ZINC000255258807 JK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000255258868 JK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255258871 JK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255258873 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@@]23C)CO1 ZINC000255258884 JK Annotated Anodyne CO[C@@H]1C(O)=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)C[C@H](O)[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000255258888 JK Annotated Anodyne CC(C)(O)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@]13O ZINC000255259409 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000255259429 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@H]5[C@H](C(C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000255259430 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255259460 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3)[C@@H](C)C(=O)O ZINC000255259503 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000255259504 JK Annotated Mild C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000255259527 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255259546 JK Annotated Mild CC(C)[C@H]1CC[C@@]2(C)O[C@]3(C)CC[C@H]2[C@H]2CC[C@@]4(C)CC[C@H](C(C)C)[C@H](O)[C@@H](O[C@H]3[C@H]1O)[C@]2(C)O4 ZINC000255259597 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255259712 JK Annotated Anodyne C[C@@H](CO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](C)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@]12C ZINC000255259772 JK Annotated Anodyne C[C@@H](CO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]12C ZINC000255259773 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@H](O)[C@@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255259792 JK Annotated Mild C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000255259848 JK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@](C)(CC)C(=C)C)CC[C@@]12C ZINC000255259893 JK Annotated Mild CC(C)=CC(=O)[C@@H](O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C[C@@H](O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255260024 JK Annotated Mild C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000255260030 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H]([C@@H](C)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255260122 JK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]45C(=O)O[C@@]6(C)C[C@@H]4[C@@](C)(CC[C@]5(C)[C@H]3CC[C@@]21C)C[C@H]6O ZINC000255260264 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260272 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260273 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260274 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C ZINC000255260280 JK Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC=C4[C@@H]([C@H](O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255260281 JK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O ZINC000255260282 JK Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000255260283 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255260291 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255260292 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255260293 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255260294 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000255260295 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255260319 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000255260320 JK Annotated Anodyne C=C(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255260452 JK Annotated Mild C[C@H]1C(=O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255260465 JK Annotated Anodyne CC1(C)CC[C@H]([C@@H](C(=O)O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@](C)(CC[C@H](O)[C@]5(C)CO)C4=CC[C@]23C)O1 ZINC000255260477 JK Annotated Anodyne CC1(C)CC[C@@H]([C@@H](C(=O)O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@](C)(CC[C@H](O)[C@]5(C)CO)C4=CC[C@]23C)O1 ZINC000255260478 JK Annotated Anodyne C[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@@]4(C)CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(O)[C@@]2(O)[C@@H]1C ZINC000255260498 JK Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255260604 JK Annotated Anodyne CC(C)(O)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255260605 JK Annotated Anodyne CCCCCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255260674 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260707 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260708 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000255260721 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000255260723 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@]23C)O1 ZINC000255260724 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255260736 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H](O)[C@]23C)O1 ZINC000255260781 JK Annotated Anodyne C/C(=C\C=C/[C@@H](C)[C@]1(C)CC=C2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C)C(=O)O ZINC000255260875 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)CC[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255261081 JK Annotated Mild COC(=O)[C@@]1(C)O[C@H]1CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255261118 JK Annotated Anodyne COC(=O)[C@]1(C)O[C@H]1CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255261119 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255261123 JK Annotated Anodyne CC(C)C(=O)[C@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000255261130 JK Annotated Anodyne CC(C)(O)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255261189 JK Annotated Anodyne CC(C)(O)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255261190 JK Annotated Anodyne C/C(=C/C(=O)C[C@@H](C)C1=CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35C(=O)C[C@]12C)C(=O)O ZINC000255261234 JK Annotated Mild CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@]1(C)[C@@H](CC3=O)C(C)(C)[C@@H](O)C[C@H]1O ZINC000255261280 JK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(C=O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255261297 JK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CC[C@@H](O)[C@]4(C)C=O)[C@@H]3CC[C@@]12C ZINC000255261298 JK Annotated Mild C[C@@H]1CC[C@H](C(C)(C)O)OC(=O)[C@@]23C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@]12C[C@@]14CCC(=O)C(C)(C)[C@@H]4CC[C@H]23 ZINC000255261398 JK Annotated Anodyne CC(=O)OC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255261513 JK Annotated Anodyne CC(=O)OC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000255261514 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](C(C)(C)O)[C@H]4CC[C@]23C)C1(C)C ZINC000255261517 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@]23C)C1(C)C ZINC000255261518 JK Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@@H]4C(C)(C)[C@@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000255261524 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@H]4[C@H](C(=C)C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000255261525 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]23C)C1(C)C ZINC000255261555 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]23C)C1(C)C ZINC000255261556 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]23C)C1(C)C ZINC000255261557 JK Annotated Anodyne CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@]45OC[C@@]6(CCC(C)(C)C[C@@H]64)[C@H](O)C[C@H]5[C@]3(C)CC[C@@H]12 ZINC000255261614 JK Annotated Anodyne CCC(C)(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255261635 JK Annotated Anodyne CCC(C)(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255261636 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)C[C@@H](O)[C@@]21C ZINC000255261649 JK Annotated Anodyne COC(C)(C)CCC[C@]1(C)OC(=O)[C@@]23CC=C4C(=CC(C)(C)[C@@H]5C[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255261775 JK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]12C ZINC000255261808 JK Annotated Reactive C[C@H]([C@H](O)CC(=O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255262046 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255262079 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@]3(C)[C@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]56C[C@]46CC[C@]23C)O1 ZINC000255262080 JK Annotated Anodyne CC(C)=C[C@H]1C=C(C)[C@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000255262104 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@@]2(C)CO[C@]4(C)CC[C@H]2O4)[C@H]1N5C3 ZINC000255262215 JK Annotated Anodyne C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC=C21)C(=O)O ZINC000255262349 JK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)C[C@@H]5C=C(C)C(=O)O5)CC[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000255262354 JK Annotated Anodyne CC1=C[C@@](C)(O)[C@@H](C)O[C@@H]1/C(C)=C/C=C/C=C/C=C/C(C)=C/[C@@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C ZINC000255262392 JK Annotated Anodyne CC1=C[C@@](C)(O)[C@@H](C)O[C@H]1/C(C)=C/C=C/C=C/C=C/C(C)=C/[C@@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C ZINC000255262393 JK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@]35[C@H](O)C[C@]12C ZINC000255262406 JK Annotated Anodyne C[C@H](C(=O)CC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255262459 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC[C@](C)(CO)[C@@H]4CC[C@]23C)[C@H]1C(C)C ZINC000255262485 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H](O)[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255262508 JK Annotated Anodyne C/C(=C\C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@H]12)C(=O)O ZINC000255262591 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]56CC[C@H](O[C@@H]5OC)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]12 ZINC000255262609 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255262612 JK Annotated Anodyne CC(C)(O)[C@H]1OC[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C[C@H]1O ZINC000255262714 JK Annotated Anodyne CC(C)(O)[C@H]1OC[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C[C@@H]1O ZINC000255262715 JK Annotated Anodyne CC(C)(O)[C@H]1OC[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C[C@H]1O ZINC000255262716 JK Annotated Anodyne CC(C)(O)[C@H]1O[C@H](O)[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CC1=O ZINC000255262733 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000255262746 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000255262761 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@H]1CC3)C(C)C ZINC000255262762 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000255262763 JK Annotated Mild COC(C)(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4[C@@](C)(CO)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255262771 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4[C@@](C)(CO)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255262772 JK Annotated Anodyne C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255262774 JK Annotated Mild C=C(C)[C@@H](C)CC[C@](C)(O)[C@H]1CC[C@@]2(CO)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255262872 JK Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C=O)CC[C@]3(C)[C@@H]([C@H](C)[C@@H](O)C=C(C)C)CC[C@@]3(C)[C@H]12 ZINC000255262954 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263092 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263093 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263094 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263095 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263096 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000255263097 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263098 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263099 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]21C ZINC000255263100 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263101 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000255263102 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263103 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255263104 JK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000255263131 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@]21C ZINC000255263281 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3CC[C@]21C ZINC000255263282 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@@H](O)C[C@]3(C)CC[C@]12C ZINC000255263290 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000255263291 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@@H](O)C[C@]3(C)CC[C@]12C ZINC000255263292 JK Annotated Anodyne CC(C)(O)/C=C\C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255263342 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255263343 JK Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000255263436 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000255263437 JK Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000255263438 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000255263439 JK Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000255263440 JK Annotated Anodyne CC(C)=CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35C[C@@H](O)[C@]12C ZINC000255263449 JK Annotated Mild CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)[C@H]3O)C(C)C ZINC000255263459 JK Annotated Anodyne CN[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)C[C@H]4NCC[C@@H]4C(C)C)C3=CC[C@@H]2[C@@H]1OC(C)=O ZINC000255263787 JK Annotated Anodyne C=C(C)[C@](C)(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255263817 JK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)C(C)C ZINC000255263874 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255263995 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255263996 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@H](O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2CC1(C)C ZINC000255264061 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C([C@@H](O)C[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000255264111 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000255264112 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@@]5(C)CC[C@H](C(C)C)[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000255264127 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@@]5(C)CC[C@H](C(C)C)[C@H]5[C@]4(C)CC[C@H]32)C1(C)C ZINC000255264128 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CC[C@H](C(C)C)[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000255264129 JK Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255264132 JK Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255264133 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@@]1(C)CC[C@H]2C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255264155 JK Annotated Anodyne CC1=C[C@H](O)[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000255264170 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H]([C@@H]2C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(O)[C@@H]2CC[C@]13C ZINC000255264204 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]23C[C@@]2(CC[C@@H]2C3=CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@]23C)C1 ZINC000255264253 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35C=C[C@]12C ZINC000255264285 JK Annotated Mild CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255264300 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@@H]13 ZINC000255264301 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000255264386 JK Annotated Mild CC1(C)C[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@H]4C[C@H](O)CC5(C)C)[C@@]3(C)[C@@H](O)C[C@@]2(C)C[C@@H]1O ZINC000255264470 JK Annotated Anodyne C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]45C(=O)O[C@@H](C[C@@]6(C)CCC(C)(C)C[C@H]64)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255264521 JK Annotated Anodyne CC(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255264816 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@@]23[C@@H](O)C=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@@H]13 ZINC000255264900 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@@]23[C@@H](O)C=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]45C)[C@]2(C)CC[C@@H]13 ZINC000255264904 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C(=O)O[C@]5(CC[C@@H]3[C@H]12)[C@@]4(C)CC[C@]12O[C@@]15[C@@H](C)CC2(C)C ZINC000255265307 JK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@]3(C)CC[C@]45C(=O)O[C@H](C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C)[C@@]1(C)CCC(C)(C)C[C@H]15 ZINC000255266113 JK Annotated Anodyne C=C(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000255266135 JK Annotated Mild C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)Cl)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255267161 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]23C[C@@]2(CC[C@@H]2C3=CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@]23C)C1 ZINC000255267829 JK Annotated Anodyne CC(C)(O)[C@H]1OC[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@@]23C)C[C@H]1O ZINC000255268131 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@H]1CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255268810 JK Annotated Mild CC(C)=CCC[C@H](C)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255268935 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1CC([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)=CO1 ZINC000255268976 JK Annotated Anodyne CC1(C)O[C@@H]1[C@@H]1CC([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)=CO1 ZINC000255268981 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1CC([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3C[C@@H](O)[C@]24C)=CO1 ZINC000255268985 JK Annotated Anodyne C/C(=C\C=C/[C@@H](C)[C@]1(C)CC=C2[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@]3(O)CC[C@]21C)C(=O)O ZINC000255269040 JK Annotated Anodyne C=C(C)[C@H](O)[C@@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255269376 JK Annotated Mild C[C@H]1[C@H](O)C(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255269388 JK Annotated Anodyne C[C@H]1[C@@H](O)C(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255269389 JK Annotated Anodyne CC1(C)CC[C@]2(C=O)CC[C@]3(C)[C@H]([C@@H]2C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000255269391 JK Annotated Mild CC(C)=CC(=O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CC(=O)[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255269407 JK Annotated Mild CC(=O)/C=C/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000255269432 JK Annotated Mild C=C(CC/C=C(\C)CO)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@H](O)C[C@]12C ZINC000255269524 JK Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=C3[C@H](O)C[C@@H]12)[C@H](O)C[C@@H]4[C@H](C)CC[C@H](CC)C(C)C ZINC000255269561 JK Annotated Mild C/C=C(\C)C[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C(\C=C\[C@H]1CC=CC(=O)O1)CC ZINC000255269595 JK Annotated Anodyne C/C(=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255269599 JK Annotated Anodyne C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255269600 JK Annotated Anodyne C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255269601 JK Annotated Anodyne CC(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000255269633 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000255269899 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255270442 JK Annotated Anodyne C[C@H]([C@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C)[C@H]1CC[C@H]2[C@H]3C(=CC[C@@]21C)[C@H](C)[C@]1(CCC(=O)O1)[C@H]1O[C@@H]31 ZINC000255270565 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255270808 JK Annotated Mild C[C@H]([C@@H]1C[C@@]2(C)O[C@@](C)(O1)OC2(C)C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000255270857 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(C=O)C[C@H]42)[C@@H](O)C[C@]31C ZINC000255271079 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(C=O)C[C@H]42)[C@H](O)C[C@]31C ZINC000255271080 JK Annotated Mild C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255271114 JK Annotated Mild CC1(C)CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]2[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@]23C)[C@H]1O ZINC000255271195 JK Annotated Anodyne CC(C)=N[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@H]4[C@@H](C[C@H]32)O[C@]2(O)C[C@H](C)CN[C@@H]2[C@@H]4C)C1 ZINC000255271292 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)[C@H](O)C[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000255271308 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)[C@@H](CC[C@]21C)C(C)(C)[C@@H](O)C[C@H]3O ZINC000255271309 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)[C@H](O)CC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255271374 JK Annotated Anodyne CC1=C[C@@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000255271414 JK Annotated Anodyne CC(C)C[C@H](O)C[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255271424 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255271505 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255271588 JK Annotated Anodyne CO[C@H]1C[C@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@H](O)C[C@]32C)[C@H]1[C@H](C)CCC=C(C)C ZINC000255271628 JK Annotated Anodyne C=C(C)[C@@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O ZINC000255271739 JK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@]24O[C@H]4C[C@]2(C)[C@H]4CC[C@@H](C(C)C)[C@]4(C)CC[C@@]32C)C1(C)C ZINC000255271750 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@]3(C)CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@]53CC[C@]12C ZINC000255271755 JK Annotated Anodyne CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO ZINC000255271763 JK Annotated Reactive CC1(C)O[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)CC[C@@H]1O ZINC000255271801 JK Annotated Anodyne CC1(C)O[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)CC[C@@H]1O ZINC000255271802 JK Annotated Anodyne C/C(=C\C=C\[C@@H](C)[C@@]1(C)C[C@@H]2O[C@@]23[C@]2(CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000255271821 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000255271861 JK Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5C=C[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O ZINC000255271942 JK Annotated Anodyne CC(C)[C@@](C)(O)[C@H](O)C[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255271954 JK Annotated Anodyne COC(=O)[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255271959 JK Annotated Anodyne CC(C)C(=O)CC[C@@H](C(=O)O)[C@H]1[C@@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255272001 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3C[C@@H]4O[C@H](C(C)C)C(=O)C[C@@H](C)[C@@H]4[C@@]3(C)CC[C@@H]12 ZINC000255272057 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000255272083 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000255272084 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](C(C)(C)O)[C@@H]3[C@@H](O)C[C@]21C ZINC000255272085 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000255272086 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C(=O)O)C(C)C ZINC000255272109 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272135 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000255272136 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000255272137 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000255272232 JK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H]2C3=C4[C@@H](C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]31C)[C@@H]1C(=O)NC(=O)[C@@H]12 ZINC000255272257 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@]21C ZINC000255272262 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@]21C ZINC000255272263 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3CC[C@]21C ZINC000255272264 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)[C@@H](O)C[C@H]3C(C)(C)C(=O)CC[C@@]32C)C(=O)O1 ZINC000255272297 JK Annotated Anodyne C=C(C)[C@@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO ZINC000255272307 JK Annotated Reactive C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CO)CC[C@]3(C)CC[C@]12C ZINC000255272313 JK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000255272384 JK Annotated Anodyne CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255272405 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000255272429 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000255272430 JK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](COC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255272467 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000255272642 JK Annotated Anodyne CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255272693 JK Annotated Anodyne CC(C)(O)CCC[C@]1(C)OC(=O)[C@@]23CC=C4C(=CC(C)(C)[C@@H]5C[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255272751 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255272831 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000255272832 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]21C ZINC000255272892 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272893 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272894 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272895 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255272902 JK Annotated Anodyne CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](CC[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255272966 JK Annotated Mild C/C(C[C@@H](C)[C@H](C)C(C)C)=C1/C[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255273032 JK Annotated Anodyne CC1(C)CCC[C@H]([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000255273061 JK Annotated Anodyne COC(C)(C)CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255273142 JK Annotated Anodyne CO[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5[C@H](C[C@]4(C)C3=CC(=O)[C@H]2C1(C)C)OC(=O)[C@@H]5CCC=C(C)C ZINC000255273215 JK Annotated Mild C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255273254 JK Annotated Anodyne CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO ZINC000255273341 JK Annotated Reactive CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]12 ZINC000255273388 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)[C@@H]4O[C@@H](OC4=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255273434 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)[C@@H]4O[C@@H](OC4=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255273435 JK Annotated Anodyne C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC5)[C@H]1C ZINC000255273476 JK Annotated Anodyne C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC5)[C@H]1C ZINC000255273477 JK Annotated Anodyne CC(C)/C(=C/C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)CCN(C)C ZINC000255273524 JK Annotated Anodyne CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255273571 JK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000255273573 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@]23C)O1 ZINC000255273628 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]45CC[C@](O)(OC4)C(C)(C)[C@@H]5CC[C@]23C)O1 ZINC000255273691 JK Annotated Anodyne CC(C)=C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255273701 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C[C@H]1NC(=O)C=C(C)C ZINC000255273703 JK Annotated Anodyne COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000255274137 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 ZINC000255274155 JK Annotated Reactive CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@]34C=C[C@@]2(C1)OO4 ZINC000255274156 JK Annotated Reactive CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)O2)OC1=O ZINC000255274246 JK Annotated Anodyne C[C@H](CC[C@H]1OC1(C)C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255274262 JK Annotated Anodyne C[C@@H](CC[C@H]1OC1(C)C)[C@@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255274263 JK Annotated Anodyne CCO[C@@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]32C)[C@@]2(C)CC[C@@]3(C(C)C)O[C@]132 ZINC000255274277 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255274278 JK Annotated Mild CC(C)=CCC/C(C(=O)O)=C1/CC[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3C[C@H](O)[C@@]12C ZINC000255274342 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)[C@H](O)[C@]21C ZINC000255274351 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)[C@H](O)[C@]21C ZINC000255274352 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)[C@@H](O)[C@]21C ZINC000255274353 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)[C@H](O)[C@]21C ZINC000255274354 JK Annotated Anodyne CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)OC1=O ZINC000255274571 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@@]21C)C(C)C ZINC000255274572 JK Annotated Anodyne CC1=C/C(=C/[C@@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O ZINC000255274574 JK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255274575 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000255274805 JK Annotated Anodyne C=C1C[C@H]2[C@]3(C)CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@H](O)[C@@H]6C)[C@]5(C)CC[C@@]24C(=O)O[C@@H]3[C@H]1O ZINC000255274891 JK Annotated Mild CC(C)(O)[C@H](O)[C@@H]1C[C@H](O)[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255274899 JK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)C ZINC000255275247 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)C[C@H](O)[C@]3(C)C(=C(O)[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255275521 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@H]3[C@H](C(C)(C)O)CC[C@]3(C)CC[C@]21C ZINC000255275558 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255275561 JK Annotated Anodyne C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255275691 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1C(=O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](C(C)(C)O)[C@@H]3[C@@H](O)C[C@]21C ZINC000255275811 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C(=O)C[C@]21C ZINC000255275812 JK Annotated Anodyne CC1(C)CC[C@]23CO[C@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@H]3C1 ZINC000255275820 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)O ZINC000255276044 JK Annotated Mild C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)O ZINC000255276046 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@H]5CC[C@]43C(=O)O)[C@@H]12 ZINC000255276191 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C(=O)O)[C@@H]12 ZINC000255276195 JK Annotated Mild C[C@@H]1C[C@@]2(CC(C)(C)OO2)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255276236 JK Annotated Reactive CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000255276668 JK Annotated Anodyne C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255276800 JK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255276806 JK Annotated Mild CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@H]3CC[C@H]2[C@@H]1OC(=O)C=C(C)C ZINC000255277198 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@]46O[C@@H](C(=O)[C@]4(C)CO[C@@]7(C)CC[C@@H]4O7)C[C@]26[C@H]1N(C3)C5 ZINC000255277255 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255277285 JK Annotated Anodyne CC1=C2[C@@H](CC1)[C@@H](C)CC[C@H]1[C@@H]2OC(=O)[C@@]12C[C@]13C[C@H]2C(C)=C1[C@@H]1[C@H](CC[C@@H]3C)[C@]1(C)C(=O)O ZINC000255277441 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255277512 JK Annotated Anodyne CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC=C32)OC1=O ZINC000255277633 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@@H]3CC[C@@H]2C1(C)C ZINC000255277792 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C ZINC000255277793 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255277794 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]5CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255277795 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255277796 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255277797 JK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255277802 JK Annotated Anodyne C[C@H]1C(=O)[C@@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255277812 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255278056 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255278057 JK Annotated Anodyne C[C@H](N)[C@@H](O)/C=C/C=C/CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/[C@H](O)[C@H](C)N ZINC000255278181 JK Annotated Anodyne C=C(C)CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255278184 JK Annotated Mild C[C@H](CO)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255278374 JK Annotated Anodyne C[C@@H](CO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3CC[C@]21C ZINC000255278376 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255278443 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255278445 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255278447 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255278450 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255278453 JK Annotated Anodyne C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C ZINC000255278511 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)(C)C ZINC000255278513 JK Annotated Mild CN[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)C[C@H]4NCCC4=C(C)C)C3=CC[C@@H]2[C@@H]1OC(C)=O ZINC000255278951 JK Annotated Anodyne CN[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@H]4CC[C@H]([C@H](C)/C=C/C5=C(C)CN(C)CC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000255279096 JK Annotated Anodyne C=C(C)CC[C@@H](O)C(=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C ZINC000255279786 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@]23C)O1 ZINC000255280031 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)COC ZINC000255280074 JK Annotated Mild C[C@@H]1C(=O)OC[C@@]2(C[C@@H]2[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)[C@@H]1C ZINC000255280364 JK Annotated Mild CC(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2C[C@@H](O)[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255280432 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C[C@@H](O)[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255280433 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2C[C@@H](O)[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]23C)O1 ZINC000255280434 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C[C@@H](O)[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255280470 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4[C@H](CCC(=O)C4(C)C)C3=CC[C@]12C)C(C)C ZINC000255280480 JK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC=C3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255280702 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@H]2CCC=C(C)[C@@]12C ZINC000255280965 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1[C@@H](O)[C@@H](OC(=O)O)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12 ZINC000255281030 JK Annotated Anodyne CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54[C@H](OC(=O)/C=C/C(C)C)C[C@@H]32)C1 ZINC000255281194 JK Annotated Anodyne CC1(C)OC(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@@H]5C[C@@H]6C[C@H]5OC(=O)[C@]6(C)O)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000255281470 JK Annotated Anodyne CCOC[C@H](C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000255281471 JK Annotated Anodyne CCOC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255281472 JK Annotated Anodyne C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000255281500 JK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@](C)(CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@H](O)C[C@H]5O)[C@@H]12 ZINC000255281519 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@](C)(CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000255281520 JK Annotated Mild CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O ZINC000255281729 JK Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)C[C@H]7C[C@]76C5=CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O ZINC000255281739 JK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H]3CC[C@H]4[C@@](C)(CC[C@@]5(C)C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)C[C@H]1O ZINC000255281768 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255281778 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255281779 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255281780 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255281781 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255281782 JK Annotated Anodyne CC(C)CCC[C@]1(C)OC(=O)[C@@]23[C@H](O)C=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@]13O ZINC000255281861 JK Annotated Anodyne CC1(C)OC(=O)[C@]23CC[C@H]1[C@]2(O)CC[C@]1(C)[C@@H]3CC[C@@H]2[C@@]3(C)CCC[C@](C)(CO)[C@@H]3CC[C@]21C ZINC000255281908 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]([C@]5(C)CC[C@@](O)(C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000255281928 JK Annotated Anodyne C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]43C)[C@@H]12 ZINC000255281937 JK Annotated Mild CC(C)C(=O)/C=C\[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255281984 JK Annotated Mild CC(C)C(=O)/C=C/[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255281985 JK Annotated Mild CC(C)=C[C@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O ZINC000255282237 JK Annotated Anodyne CC(C)=CCC[C@@H](C)C1=C2[C@H](C(=O)O)C[C@H]3[C@@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]2(C)CC1 ZINC000255282329 JK Annotated Anodyne CC(C)=CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000255282714 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@@H]3CC[C@]12C ZINC000255282930 JK Annotated Anodyne C=C1[C@H](C)CO[C@]12C[C@@H](C)[C@H]1[C@@H](C[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]13C)O2 ZINC000255283467 JK Annotated Mild C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000255283477 JK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](OC)C1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255283632 JK Annotated Mild CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255284252 JK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255284254 JK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255284256 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255284274 JK Annotated Mild CC1=C[C@](O)(C[C@@H](C)C2=CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000255284360 JK Annotated Anodyne CC1(C)C2=CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](C(C)(C)O)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000255284445 JK Annotated Anodyne CC1(C)C2=CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](C(C)(C)O)[C@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000255284446 JK Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C\[C@@H](OC)[C@@H](O)[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000255284468 JK Annotated Anodyne CC(=O)OCCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255284475 JK Annotated Anodyne CC(=O)OCCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255284476 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]13O2 ZINC000255284549 JK Annotated Anodyne CC1=CC(C)(C)O[C@]1(C)[C@H]1C(=O)C[C@]2(CO)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255284559 JK Annotated Anodyne CC1=CC(C)(C)O[C@@]1(C)[C@H]1C(=O)C[C@]2(CO)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255284560 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000255284565 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4[C@@H](CCC(=O)C4(C)C)C3=CC[C@]12C)C(C)C ZINC000255284576 JK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255284650 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255284651 JK Annotated Anodyne CC1(C)O[C@@H]2C[C@H]1CC[C@@H]2[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]45C[C@@]35CC[C@]12C ZINC000255284690 JK Annotated Anodyne C/C(=C\C[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)C[C@H](O)[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C)[C@H](C)C(C)C ZINC000255284715 JK Annotated Anodyne CC1(C)CC[C@@]23C(=O)C[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000255284772 JK Annotated Anodyne C=C(C)[C@@H](C)CCC[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255284870 JK Annotated Mild C=C(C)[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)CC ZINC000255284898 JK Annotated Mild C=C(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC ZINC000255284899 JK Annotated Mild C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC ZINC000255284900 JK Annotated Mild CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)C3=CC[C@@H](c4ccco4)[C@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C(C)(C)[C@H]12 ZINC000255284970 JK Annotated Mild CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(C)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255285014 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)[C@](C)(CO)[C@@H]4CC[C@]23C)O1 ZINC000255285025 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)[C@@](C)(CO)[C@@H]4CC[C@]23C)O1 ZINC000255285026 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)[C@@](C)(CO)[C@@H]4CC[C@]23C)O1 ZINC000255285027 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]23OC(=O)[C@]45CC[C@](C)(C[C@H]42)[C@@H]5C[C@]31C ZINC000255285088 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3C[C@H](O)[C@]45OC(=O)[C@]67CC[C@](C)(C[C@H]64)[C@@H]7C[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000255285089 JK Annotated Anodyne C[C@@H]1C[C@@]2(C)[C@@H](CCC(=O)[C@@H]2C)[C@]2(C)CC[C@@]3(C)[C@@H]4CC(C)(C)[C@H](O)C[C@]4(C)CC[C@]3(C)[C@@H]12 ZINC000255285149 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000255285151 JK Annotated Mild C[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000255285204 JK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255286123 JK Annotated Mild C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)C ZINC000255286156 JK Annotated Anodyne C/C(=C/C[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)(C)C ZINC000255286157 JK Annotated Anodyne C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)(C)C ZINC000255286158 JK Annotated Anodyne C=C(C)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255286468 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]4CC5=C(C(=O)C=C(C)C5=O)[C@]4(C)CC[C@@H]23)C1(C)C ZINC000255286470 JK Annotated Mild C/C(=C\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)CO ZINC000255286478 JK Annotated Anodyne C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255286527 JK Annotated Mild C=C(CC[C@@H](C(=O)OC)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C ZINC000255286528 JK Annotated Mild C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255286529 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C(=O)O)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000255286575 JK Annotated Anodyne CC1(C)C[C@H](O)[C@]23CO[C@@]4(CC[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@H]3C1 ZINC000255286619 JK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@]32C)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000255286621 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000255286630 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O1 ZINC000255286641 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@H](O)C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O1 ZINC000255286642 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1C[C@H](C)[C@H]2[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@@]21C)C(=O)O ZINC000255286661 JK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C(=O)C=CC[C@]12O ZINC000255286690 JK Annotated Mild CC(C)(/C=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OO ZINC000255286735 JK Annotated Reactive C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255286762 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255286763 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255286764 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255286765 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000255286766 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5[C@@H](O)C[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255286876 JK Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H](C[C@H]3CC[C@@H]4C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000255286938 JK Annotated Anodyne CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C\[C@H](C)C(C)C)[C@@]3(C)CC[C@]2(O)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000255287011 JK Annotated Anodyne COC(C)(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255287121 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)C ZINC000255287150 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)CC(=O)[C@H](C)C(C)C)[C@@H]3CC(=O)[C@H]2C1 ZINC000255287158 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@](C)(CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255287268 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255287298 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](C(C)(C)O)[C@@H]3[C@@H](O)C[C@]21C ZINC000255287299 JK Annotated Anodyne C=C1[C@@H](O)C[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C(=O)OC)[C@@H]2[C@H]1O ZINC000255287458 JK Annotated Mild COC(=O)/C(C)=C1\C(=O)C[C@@H](C)[C@H]2[C@H]1C[C@@]1(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000255287467 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255287507 JK Annotated Anodyne CC1=C/C(=C\[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000255287534 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O ZINC000255287553 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000255287554 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000255287555 JK Annotated Mild CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255287566 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255287567 JK Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255287568 JK Annotated Anodyne C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000255287698 JK Annotated Reactive C=C(C)[C@@H]1C(=O)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000255287729 JK Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3[C@@](C)(CC[C@H]12)[C@H]([C@]1(C)CCC[C@@]2(C)CC[C@@H]4C(=C)C(=O)O[C@@H]4[C@H]21)CC[C@@]3(C)O ZINC000255287754 JK Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3[C@@](C)(CC[C@H]12)[C@H]([C@]1(C)CCC[C@]2(C)CC[C@@H]4C(=C)C(=O)O[C@@H]4[C@@H]12)CC[C@@]3(C)O ZINC000255287755 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000255287788 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@H]12 ZINC000255287789 JK Annotated Mild COC(=O)/C(C)=C/CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000255287851 JK Annotated Mild COC(=O)/C(C)=C\CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000255287852 JK Annotated Mild C[C@@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C=O)[C@H]3[C@@H](O)C=C4C(C)(C)[C@@H](C)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000255287911 JK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@@H](C)NC ZINC000255287942 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000255287988 JK Annotated Anodyne CC1(C)O[C@H]1[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255287989 JK Annotated Anodyne CC1(C)O[C@@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255287990 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC=C1[C@@H]2CC[C@@]2(C)[C@H]([C@@H]3C[C@@H]([C@H]4OC4(C)C)O[C@H]3O)CC[C@]12C ZINC000255287991 JK Annotated Anodyne CC1(C)O[C@H]1[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000255287992 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255287993 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@H]([C@H]6OC6(C)C)O[C@H]5O)CC[C@]4(C)C3=CC[C@H]12 ZINC000255287994 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000255287995 JK Annotated Anodyne CC1(C)O[C@H]1[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255287996 JK Annotated Anodyne [O-][N+](=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000256351810 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257373527 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000257373528 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C ZINC000257373529 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@@]12C ZINC000257373530 JK Annotated Anodyne COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@@]12C ZINC000257375180 JK Annotated Mild COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C=O)CC[C@]12C ZINC000257375181 JK Annotated Mild COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C=O)CC[C@@]12C ZINC000257375182 JK Annotated Mild COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000257375183 JK Annotated Mild C/C1=C/[C@@H]2[C@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000257375887 JK Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000257375888 JK Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000257375889 JK Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000257375890 JK Annotated Anodyne C[C@H]1N[C@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000257378051 JK Annotated Anodyne C[C@@H]1N[C@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000257378052 JK Annotated Anodyne C[C@@H]1N[C@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C ZINC000257378053 JK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@H]2[C@H](CC[C@H]2CC)[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)O)CC[C@@H]1C ZINC000257383096 JK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@H]2[C@H](CC[C@H]2CC)[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)O)CC[C@H]1C ZINC000257383097 JK Annotated Anodyne CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@H](CC[C@@H]3C)C1(C)C ZINC000257385996 JK Annotated Anodyne CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@H](CC[C@H]3C)C1(C)C ZINC000257385997 JK Annotated Anodyne CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]23CC[C@@]1(C)[C@@H]2[C@@H]1[C@@H](CC[C@H]3C)C1(C)C ZINC000257385998 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257392057 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257392058 JK Annotated Anodyne C[C@@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257392059 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257392060 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)C/C=C(\C)C(C)C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000257392246 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)C/C=C(\C)C(C)C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000257392247 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)C/C=C(\C)C(C)C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000257392248 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)C/C=C(\C)C(C)C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000257392249 JK Annotated Anodyne C=C(C)C(C)(C)[C@H](C)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257394817 JK Annotated Mild C=C(C)C(C)(C)[C@H](C)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257394818 JK Annotated Mild C=C(C)C(C)(C)[C@H](C)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257394819 JK Annotated Mild C=C(C)C(C)(C)[C@H](C)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257394820 JK Annotated Mild C/C(=C\CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000257399958 JK Annotated Mild C/C(=C\CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000257399959 JK Annotated Mild C/C(=C\CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000257399960 JK Annotated Mild C/C(=C\CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000257399961 JK Annotated Mild C[C@H](CC[C@@H]1O[C@]1(C)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257403614 JK Annotated Anodyne C[C@H](CC[C@@H]1O[C@]1(C)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257403615 JK Annotated Anodyne C[C@H](CC[C@@H]1O[C@]1(C)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257403616 JK Annotated Anodyne C[C@H](CC[C@@H]1O[C@]1(C)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257403617 JK Annotated Anodyne C=C(CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](C)CO ZINC000257407900 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@@H](C)CO ZINC000257407901 JK Annotated Mild C=C(CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@@H](C)CO ZINC000257407902 JK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](C)CO ZINC000257407903 JK Annotated Mild O[C@H]1/C2=C\C/C=C/C=C\C=C/CCN3C[C@@]45CCCCCCCCCCCCN(C[C@H]1[C@H]4C[C@@H]23)C5 ZINC000257410881 JK Annotated Anodyne O[C@H]1/C2=C\C/C=C/C=C\C=C/CCN3C[C@@]45CCCCCCCCCCCCN(C[C@@H]1[C@H]4C[C@@H]23)C5 ZINC000257410883 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]2(C)CC1 ZINC000257422754 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000257422755 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]2(C)CC1 ZINC000257422756 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@@]2(C)CC1 ZINC000257422757 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000257429749 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@@]23C)[C@]1(C)CCC(=O)O ZINC000257429750 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000257429751 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000257429752 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)O ZINC000257430574 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)O ZINC000257430575 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O ZINC000257430576 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O ZINC000257430577 JK Annotated Anodyne CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000257437691 JK Annotated Mild C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000257439653 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(=O)O ZINC000257439654 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(=O)O ZINC000257439655 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000257439656 JK Annotated Anodyne C=C1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000257443258 JK Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000257443259 JK Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000257443260 JK Annotated Mild CC1(C)O[C@@H]1[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)C=C[C@]5(C)[C@@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000257450122 JK Annotated Anodyne CC1(C)O[C@@H]1[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)C=C[C@]5(C)[C@@H]4CC[C@]23C)[C@@H](O)O1 ZINC000257450123 JK Annotated Anodyne CC1(C)O[C@@H]1[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)C=C[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000257450124 JK Annotated Anodyne CC1(C)O[C@@H]1[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)C=C[C@]5(C)[C@@H]4CC[C@]23C)[C@H](O)O1 ZINC000257450125 JK Annotated Anodyne CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]21C ZINC000257451379 JK Annotated Anodyne CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000257451380 JK Annotated Anodyne CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]21C ZINC000257451381 JK Annotated Anodyne CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@@]3(C)CC[C@]21C ZINC000257451382 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000257454349 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@H]2[C@H](CC1)C2(C)C ZINC000257454350 JK Annotated Anodyne CC(C)=CC/C=C(\C)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@]12C ZINC000257455120 JK Annotated Anodyne CC(C)=CC/C=C(\C)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000257455121 JK Annotated Anodyne CC(C)=CC/C=C(\C)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000257455122 JK Annotated Anodyne CC(C)=CC/C=C(\C)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000257455123 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)O ZINC000257459140 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)O ZINC000257459141 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)O ZINC000257459142 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)O ZINC000257459143 JK Annotated Anodyne C/C(=C/[C@H](O)C[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O ZINC000257461513 JK Annotated Anodyne C/C(=C/[C@@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O ZINC000257461514 JK Annotated Anodyne C/C(=C/[C@@H](O)C[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O ZINC000257461515 JK Annotated Anodyne C/C(=C/[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O ZINC000257461516 JK Annotated Anodyne CC(=O)CC[C@@H]1[C@H]([C@@H]2C(=O)CC[C@@]2(C)[C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000257463073 JK Annotated Anodyne CC1=N[C@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C ZINC000257463094 JK Annotated Anodyne CC1=N[C@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000257463095 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000257468722 JK Annotated Reactive CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)CC[C@@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000257470602 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)CC[C@@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000257470603 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)CC[C@@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000257470604 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)CC[C@@H]([C@@](C)(O)CO)O3)CC[C@]21C ZINC000257470605 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000257478092 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000257478093 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000257478094 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000257478095 JK Annotated Mild CC1=CC[C@@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]21C ZINC000257478333 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000257478334 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@@H](O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000257478335 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000257478336 JK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C)[C@@H](C)C(C)C ZINC000257486314 JK Annotated Mild C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C)[C@H](C)C(C)C ZINC000257486315 JK Annotated Mild C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C)[C@H](C)C(C)C ZINC000257486316 JK Annotated Mild C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C)[C@@H](C)C(C)C ZINC000257486317 JK Annotated Mild CC1(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]54C)CC3=CC[C@H]12 ZINC000257486497 JK Annotated Anodyne CC1(C)[C@H](O)[C@@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]54C)CC3=CC[C@H]12 ZINC000257486498 JK Annotated Anodyne CC1(C)[C@H](O)[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]54C)CC3=CC[C@H]12 ZINC000257486499 JK Annotated Anodyne CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]54C)CC3=CC[C@H]12 ZINC000257486500 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000257489614 JK Annotated Mild C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000257489615 JK Annotated Mild C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000257489616 JK Annotated Mild C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000257489617 JK Annotated Mild CC1=N[C@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N=C3C ZINC000257501004 JK Annotated Anodyne C=C1CC[C@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12 ZINC000257504658 JK Annotated Mild C=C1CC[C@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000257504659 JK Annotated Mild C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C)[C@@H](C)C(C)C ZINC000257507304 JK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C)[C@H](C)C(C)C ZINC000257507305 JK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C)[C@@H](C)C(C)C ZINC000257507306 JK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C)[C@H](C)C(C)C ZINC000257507307 JK Annotated Anodyne CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C=O)CC[C@]12C ZINC000257519267 JK Annotated Mild CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000257519268 JK Annotated Mild CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@@]12C ZINC000257519269 JK Annotated Mild CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C=O)CC[C@@]12C ZINC000257519270 JK Annotated Mild COC(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@H](C(=O)C(C)C)C1=O ZINC000257526769 JK Annotated Anodyne COC(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@@H](C(=O)C(C)C)C1=O ZINC000257526770 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000257534277 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]23C)O1 ZINC000257534278 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]23C)O1 ZINC000257534279 JK Annotated Anodyne CC1=C[C@H](O)[C@]2(C)[C@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C ZINC000257538750 JK Annotated Anodyne CC1=C[C@H](O)[C@]2(C)[C@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C ZINC000257538751 JK Annotated Anodyne CC1=C[C@H](O)[C@@]2(C)[C@@H]([C@@H]1C)[C@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O ZINC000257538752 JK Annotated Anodyne CC1=C[C@H](O)[C@@]2(C)[C@@H]([C@H]1C)[C@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O ZINC000257538753 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@H]13 ZINC000257540951 JK Annotated Anodyne in-vitro C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4C=C[C@@]21OC3=O ZINC000257540952 JK Annotated Anodyne in-vitro C[C@@H]1CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@H]3[C@@H]1C ZINC000257540953 JK Annotated Anodyne in-vitro C[C@@H]1CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@@H]3[C@@H]1C ZINC000257540954 JK Annotated Anodyne in-vitro CO[C@]12C=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]1(C)CC[C@]1(CO)CC[C@H](C)[C@@H](C)[C@@H]21 ZINC000257546333 JK Annotated Anodyne CO[C@]12C=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]1(C)CC[C@]1(CO)CC[C@H](C)[C@H](C)[C@@H]21 ZINC000257546334 JK Annotated Anodyne CO[C@]12C=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]1(C)CC[C@]1(CO)CC[C@H](C)[C@@H](C)[C@H]21 ZINC000257546335 JK Annotated Anodyne CO[C@]12C=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]1(C)CC[C@]1(CO)CC[C@H](C)[C@H](C)[C@H]21 ZINC000257546336 JK Annotated Anodyne C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@@H]2C(C)=CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000257547833 JK Annotated Mild C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@@H]2C(C)=CC[C@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000257547834 JK Annotated Mild C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@@H]2C(C)=CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000257547835 JK Annotated Mild C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@@H]2C(C)=CC[C@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000257547836 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@]23OC[C@]4(CC[C@](C)(C=O)C[C@@H]24)[C@@H](O)C[C@@]13C ZINC000257551379 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@]23OC[C@]4(CC[C@](C)(C=O)C[C@H]24)[C@H](O)C[C@]31C ZINC000257551380 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@]23OC[C@]4(CC[C@](C)(C=O)C[C@@H]24)[C@H](O)C[C@@]13C ZINC000257551381 JK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@]23OC[C@]4(CC[C@](C)(C=O)C[C@H]24)[C@@H](O)C[C@]31C ZINC000257551382 JK Annotated Mild CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@H]3CC[C@@]2(C)O1 ZINC000257560613 JK Annotated Mild CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@H]3CC[C@]2(C)O1 ZINC000257560614 JK Annotated Mild C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(=O)O ZINC000257562845 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000257562846 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(=O)O ZINC000257562847 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000257562848 JK Annotated Anodyne CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@H](CC[C@@]2(C)O1)C3(C)C ZINC000257565744 JK Annotated Mild CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@@H](CC[C@]2(C)O1)C3(C)C ZINC000257565745 JK Annotated Mild C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257567286 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257567287 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257567288 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257567289 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@]3(C)CC[C@@H]3C(C)(C)[C@@]4(O)CC[C@]32CO4)O1 ZINC000257573435 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]45CC[C@@](O)(OC4)C(C)(C)[C@@H]5CC[C@]23C)O1 ZINC000257573439 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@]3(C)CC[C@H]3C(C)(C)[C@@]4(O)CC[C@@]23CO4)O1 ZINC000257573443 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]45CC[C@@](O)(OC4)C(C)(C)[C@H]5CC[C@]23C)O1 ZINC000257573447 JK Annotated Anodyne C/C(=C\C[C@H](O)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(=O)O ZINC000257573779 JK Annotated Anodyne C/C(=C\C[C@H](O)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000257573780 JK Annotated Anodyne C/C(=C\C[C@H](O)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(=O)O ZINC000257573781 JK Annotated Anodyne C/C(=C\C[C@H](O)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000257573782 JK Annotated Anodyne C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@H]12)C[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2C1)CS3 ZINC000257591467 JK Annotated Anodyne C[C@H]1CC[C@H](c2ccoc2)N2C[C@@]3(CC[C@H]12)C[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2C1)CS3 ZINC000257591468 JK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@H]12)C[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2C1)CS3 ZINC000257591469 JK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2C1)C3 ZINC000257591470 JK Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000257604348 JK Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@@](C)(CO)[C@H]2CC4)O1 ZINC000257604349 JK Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC4)O1 ZINC000257604350 JK Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@@](C)(CO)[C@@H]2CC4)O1 ZINC000257604351 JK Annotated Anodyne C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1=C2C[C@H](O)[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000257605725 JK Annotated Mild C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1=C2C[C@H](O)[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]2(C)CC1 ZINC000257605726 JK Annotated Mild C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@@]2(C)CC1 ZINC000257605727 JK Annotated Mild C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]2(C)CC1 ZINC000257605728 JK Annotated Mild CC(C)[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@@H](O)CC[C@@]6(C)[C@@H]5CC[C@]4(OC2=O)[C@@H]13 ZINC000257615700 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@@H](O)CC[C@@]6(C)[C@@H]5CC[C@]4(OC2=O)[C@@H]13 ZINC000257615701 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@@H]5CC[C@]4(OC2=O)[C@@H]13 ZINC000257615702 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@@H]5CC[C@]4(OC2=O)[C@@H]13 ZINC000257615703 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@@H]2[C@H]2[C@H](CC1)C2(C)C ZINC000257621272 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000257621273 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000257621274 JK Annotated Anodyne C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000257621275 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@@]1(C)CC3 ZINC000257621913 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@@]1(C)CC3 ZINC000257621914 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@@]1(C)CC3 ZINC000257621915 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@@]1(C)CC3 ZINC000257621916 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000257629469 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]23C)O1 ZINC000257629470 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000257629471 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]23C)O1 ZINC000257629472 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000257640754 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC[C@]13C ZINC000257640755 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000257640756 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC[C@]13C ZINC000257640757 JK Annotated Anodyne C=C1CC[C@@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C ZINC000257734910 JK Annotated Mild C=C1CC[C@@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000257734911 JK Annotated Mild C=C1CC[C@@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@]2(C)CC[C@H]2[C@H]1CC2(C)C ZINC000257734912 JK Annotated Mild C=C1CC[C@@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000257734913 JK Annotated Mild C/C(=C/CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C)CO ZINC000257736992 JK Annotated Anodyne C/C(=C/CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C)CO ZINC000257736995 JK Annotated Anodyne C/C(=C/CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C)CO ZINC000257736999 JK Annotated Anodyne C/C(=C/CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C)CO ZINC000257737003 JK Annotated Anodyne CC1(C)C[C@H](O)[C@@]23CO[C@@]4(CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000257749089 JK Annotated Anodyne CC1(C)C[C@H](O)[C@@]23CO[C@@]4(CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]5(C)[C@]4(C)C[C@@H]2O)[C@H]3C1 ZINC000257749090 JK Annotated Anodyne CC1(C)C[C@H](O)[C@@]23CO[C@@]4(CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000257749091 JK Annotated Anodyne CC1(C)C[C@H](O)[C@@]23CO[C@@]4(CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]5(C)[C@]4(C)C[C@H]2O)[C@H]3C1 ZINC000257749093 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000257799623 JK Annotated Mild C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O)C(=O)O ZINC000257799624 JK Annotated Mild C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O)C(=O)O ZINC000257799626 JK Annotated Mild C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000257799627 JK Annotated Mild COc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 ZINC000026001524 JK Annotated Clean COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc(S(C)(=O)=O)ccc23)cc1)OC ZINC000026001570 JK Annotated Clean COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc(Br)ccc23)cc1)OC ZINC000026001892 JK Annotated Clean C[C@H](CCc1nccn1C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000026002210 JK Annotated Anodyne C[C@H](CCc1nccn1C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002216 JK Annotated Anodyne C[C@H](CCc1nccn1C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002223 JK Annotated Anodyne CC(C)(C)c1ccc(C2=Cc3ccc(N/C(S)=N/C4CCCCC4)cc3C3=NCCCN23)cc1 ZINC000026003075 JK Annotated Mild CC(C)(C)C(=O)Oc1coc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1=O ZINC000026003179 JK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(C)C)cc1Br ZINC000026004274 JK Annotated Bother CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(SC)cc1Br ZINC000026004497 JK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2-c2ccccc2)n1)c1ccc(C(C)C)cc1Br ZINC000026004539 JK Annotated Anodyne CCN(c1nc(C)cc(-c2c(C)cc(C)nc2C)n1)c1c(C)cc(C(C)C)cc1Br ZINC000026005238 JK Annotated Anodyne COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2N)c(OC)c1 ZINC000026005461 JK Annotated Anodyne CCN(c1nc(C)cc(-c2cccc3ccccc23)n1)c1ccc(C(C)C)cc1Br ZINC000026005569 JK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)C)cc1Br ZINC000026006565 JK Annotated Anodyne Clc1ccc([C@@]2(Cn3cncn3)OC3(CCCCC3)O[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000026007573 JK Annotated Anodyne CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@@H]2C[C@@](c3ccc(F)cc3)(CO2)[C@H]1C/C=C/CCCC(=O)O ZINC000026007596 JK Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@@]2(c3ccc(F)cc3)CO[C@@H]1C2 ZINC000026007602 JK Annotated Mild CCC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@@H]2C[C@@](c3ccc(F)cc3)(CO2)[C@H]1C/C=C/CCCC(=O)O ZINC000026008802 JK Annotated Mild CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@@]2(c3ccc(F)cc3)CO[C@@H]1C2 ZINC000026008808 JK Annotated Mild O[C@@](Cc1ccc(Cl)cc1)(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026011507 JK Annotated Anodyne O=C(O)CCC/C=C/C[C@H]1[C@H](/C=N/Oc2ccc(F)cc2)[C@@H]2C[C@@]1(c1ccc(F)cc1)CO2 ZINC000026011751 JK Annotated Mild O=C(O)CCC/C=C/C[C@H]1[C@H](/C=N/Oc2ccc(F)cc2)[C@H]2C[C@]1(c1ccc(F)cc1)CO2 ZINC000026011759 JK Annotated Mild N#Cc1ccc(COC[C@H]2[C@@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@@H]2C/C=C/CCCC(=O)O)cc1 ZINC000026012664 JK Annotated Mild N#Cc1ccc(COC[C@H]2[C@H]3C[C@](c4ccc(F)cc4)(CO3)[C@@H]2C/C=C/CCCC(=O)O)cc1 ZINC000026012670 JK Annotated Mild N#Cc1ccc(COC[C@@H]2[C@@H]3C[C@@](c4ccc(F)cc4)(CO3)[C@H]2C/C=C/CCCC(=O)O)cc1 ZINC000026012806 JK Annotated Mild N#Cc1ccc(COC[C@H]2[C@H](C/C=C/CCCC(=O)O)[C@@]3(c4ccc(F)cc4)CO[C@@H]2C3)cc1 ZINC000026012812 JK Annotated Mild FC(F)(F)COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OCC(F)(F)F)c1Cl ZINC000026019983 JK Annotated Anodyne O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(O)=C1Sc1cc2ccccc2s1 ZINC000026148806 JK Annotated Mild O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(O)=C1Sc1cc2ccccc2s1 ZINC000026148816 JK Annotated Mild CCc1c(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC2=O)sc2ccccc12 ZINC000026149509 JK Annotated Mild CCc1c(SC2=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC2=O)sc2ccccc12 ZINC000026149518 JK Annotated Mild CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2sc3ccccc3c2C(C)(C)C)=C(O)O1 ZINC000026149526 JK Annotated Mild CC1(C)CC2(CC(C)(C)c3cc(Br)c(O)cc32)c2cc(O)c(Br)cc21 ZINC000026160562 JK Annotated Anodyne C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12 ZINC000026161694 JK Annotated Anodyne C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12 ZINC000026161697 JK Annotated Anodyne C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12 ZINC000026161706 JK Annotated Anodyne C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12 ZINC000026161713 JK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3CC[C@@H](COC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026162372 JK Annotated Anodyne CC(C)(C)n1c(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC2=O)nc2ccccc21 ZINC000026165041 JK Annotated Mild CC(C)(C)n1c(SC2=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC2=O)nc2ccccc21 ZINC000026165045 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@@H]([C@](C)(O)CCC=C(C)C)O3)O2)O1 ZINC000026165164 JK Annotated Anodyne in-vitro biogenic COc1ccc(C[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166106 JK Annotated Anodyne COc1ccc(C[C@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166111 JK Annotated Anodyne COc1ccc(C[C@@H]2[C@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166115 JK Annotated Anodyne COc1ccc(C[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166120 JK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3C=C[C@@H](OCCC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026166864 JK Annotated Anodyne Cc1c(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC2=O)sc2ccccc12 ZINC000026166885 JK Annotated Mild Cc1c(SC2=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC2=O)sc2ccccc12 ZINC000026166890 JK Annotated Mild CC(C)(C)c1cc2c(cc1SC1=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC1=O)CCC2 ZINC000026168327 JK Annotated Mild CC(C)(C)c1cc2c(cc1SC1=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC1=O)CCC2 ZINC000026168332 JK Annotated Mild C/C(=C(\F)C(=O)Nc1ccc(-c2ccncc2[S@@](C)=O)cc1F)c1ccc2ccnc(N)c2c1 ZINC000026170417 JK Annotated Anodyne C/C(=C(\F)C(=O)Nc1ccc(-c2ccncc2[S@](C)=O)cc1F)c1ccc2ccnc(N)c2c1 ZINC000026170423 JK Annotated Anodyne CC[C@@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)CC2 ZINC000026171998 JK Annotated Clean CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)CC2 ZINC000026172002 JK Annotated Clean CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)CC2 ZINC000026172007 JK Annotated Clean CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)CC2 ZINC000026172009 JK Annotated Clean CN(Cc1cccnc1)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1 ZINC000026174392 JK Annotated Anodyne COC(=O)C/C(C(=O)OC)=C(/CCCCCCCCCCCCCCCCO)C(=O)OC ZINC000026176843 JK Annotated Anodyne CCN[C@@H](CC[C@@H](NCC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026180857 JK Annotated Anodyne CCN[C@H](CC[C@@H](NCC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026180862 JK Annotated Anodyne CCN[C@@H](CC[C@H](NCC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026180867 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2Cl)c2ccc(O)cc2)cc1 ZINC000026185799 JK Annotated Anodyne CC(C)NC(=O)OCc1cn2c(c1COC(=O)NC(C)C)-c1cc(Cl)c(Cl)cc1CC2 ZINC000026188675 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c2ccc(O)cc2)cc1 ZINC000026255470 JK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000026258988 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000026258995 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000026259002 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCCCC3)C=C21 ZINC000026259010 JK Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@@H](c2ccccc2)c2c[nH]cn2)cc1 ZINC000026266794 JK Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@H](c2ccccc2)c2c[nH]cn2)cc1 ZINC000026266802 JK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN2CCOCC2)CC1 ZINC000026269581 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN2CCOCC2)CC1 ZINC000026269586 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN2CCOCC2)CC1 ZINC000026269591 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN2CCOCC2)CC1 ZINC000026269598 JK Annotated Anodyne COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccc4nsnc4c3)c3c2oc2ccccc23)cc1 ZINC000026274125 JK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000026274564 JK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000026274569 JK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000026274575 JK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000026274580 JK Annotated Anodyne COc1ccccc1-n1nc(-n2cnnn2)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000026294076 JK Annotated Anodyne O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)o1 ZINC000026294839 JK Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C(c2cc(-c3c(C)cc(C)cc3C)no2)=C1c1ccc(OC)cc1 ZINC000026375596 JK Annotated Anodyne Cc1cc(Br)c(Nc2ncnc(Nc3ccc(C#N)cc3)n2)c(Br)c1 ZINC000026376246 JK Annotated Mild CCC/C(C)=C/[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1 ZINC000026376644 JK Annotated Anodyne CC(C)NC(=O)OCc1cn(C)c(-c2ccc(Cl)c(Cl)c2)c1COC(=O)NC(C)C ZINC000026378921 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3ccsc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026380721 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3nccs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026383175 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3nccs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026383179 JK Annotated Mild CCCC[C@@H](CC)C(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026384014 JK Annotated Anodyne CCCC[C@H](CC)C(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026384017 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccccn3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026386073 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccn3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026386078 JK Annotated Mild CCCCN(CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1C ZINC000026388499 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3cccnc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026389330 JK Annotated Mild Cc1csc(CC[C@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)n1 ZINC000026389620 JK Annotated Mild Cc1csc(CC[C@@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)n1 ZINC000026389624 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccncc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026389628 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccncc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026389632 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3cncnc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026389636 JK Annotated Mild Cc1cnc(CC[C@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)s1 ZINC000026390532 JK Annotated Mild Cc1cnc(CC[C@@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)s1 ZINC000026390536 JK Annotated Mild CN1CCN(c2cccc3c2ncn3C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000026391193 JK Annotated Anodyne COc1cc(Cn2c(-c3ccc(OCCCCO)cc3)cc3ccccc32)ccc1CN1CCCC1 ZINC000026391531 JK Annotated Anodyne Cc1nc(CC[C@@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)cs1 ZINC000026392315 JK Annotated Mild O[C@H]1c2ccc(C3(C4N=NN=N4)CCCC3)cc2OC[C@@H]1[C@H](c1ccccc1)C1CCCCC1 ZINC000026393273 JK Annotated Anodyne O[C@H]1c2ccc(C3(C4N=NN=N4)CCCC3)cc2OC[C@@H]1[C@@H](c1ccccc1)C1CCCCC1 ZINC000026393277 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CC[C@H]3CCCO3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026394398 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CC[C@H]3CCCO3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026394400 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccn[nH]3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026394958 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccn[nH]3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026394962 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cncs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026395497 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3csc(N)n3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026397198 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ncsc3C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026397605 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ncsc3C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026397609 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3cccs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026398180 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cccs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026398184 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3cnc[nH]3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026398779 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cnc[nH]3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026398783 JK Annotated Mild Cc1ccnc(N2CCN(CC[C@@H]3Cn4c(-c5cc(C)c(O)c(C)c5)c(C)c5cccc(c54)O3)CC2)c1 ZINC000026401819 JK Annotated Anodyne Cc1ccnc(N2CCN(CC[C@H]3Cn4c(-c5cc(C)c(O)c(C)c5)c(C)c5cccc(c54)O3)CC2)c1 ZINC000026401823 JK Annotated Anodyne COc1ccc2c([C@@H](O)c3ccc(OC)c(O)c3)c(-c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000026403654 JK Annotated Anodyne COc1ccc2c([C@H](O)c3ccc(OC)c(O)c3)c(-c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000026403657 JK Annotated Anodyne COc1ccc(-c2cc(=O)n(C/C=C/c3ccc(Cl)cc3Cl)nc2-c2ccc(OC)cc2)cc1 ZINC000026403860 JK Annotated Anodyne COc1ccc(-c2cc(Oc3ccc(Cl)cc3Cl)nnc2-c2ccc(OC)cc2)cc1 ZINC000026468040 JK Annotated Anodyne c1ccc(CCCN(c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)n2ccnc2)cc1 ZINC000026469570 JK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 ZINC000026470863 JK Annotated Bother COc1cc(-c2c(C)c3cccc4c3n2C[C@H](CCN2CCN(c3cc(C)ccn3)CC2)O4)ccc1O ZINC000026473171 JK Annotated Anodyne COc1cc(-c2c(C)c3cccc4c3n2C[C@@H](CCN2CCN(c3cc(C)ccn3)CC2)O4)ccc1O ZINC000026473180 JK Annotated Anodyne Oc1c(CN2CCCCCC2)ccc2c1CCN(CCCCC(c1ccccc1)c1ccccc1)C2 ZINC000026473777 JK Annotated Clean CCCN(c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn1)c1ccc(F)cc1F ZINC000026474567 JK Annotated Anodyne Oc1c(CN2CCCCCC2)ccc2c1CCN(CCCCCC(c1ccccc1)c1ccccc1)C2 ZINC000026476537 JK Annotated Clean Oc1c(CN2CCCCCC2)ccc2c1CCN(CCC(c1ccccc1)c1ccccc1)C2 ZINC000026477241 JK Annotated Clean Oc1c(CN2CCCCC2)cc(Cc2cc(CN3CCCCC3)c(O)c3ncccc23)c2ccncc12 ZINC000026477500 JK Annotated Clean in-vivo CC[C@@H](c1cccc(NC(=O)CCN[C@@H]2C=Cc3ccccc32)c1)c1c(O)oc2ccccc2c1=O ZINC000026479386 JK Annotated Anodyne CC[C@H](c1cccc(NC(=O)CCN[C@@H]2C=Cc3ccccc32)c1)c1c(O)oc2ccccc2c1=O ZINC000026479395 JK Annotated Anodyne CC[C@@H](c1cccc(NC(=O)CCN[C@H]2C=Cc3ccccc32)c1)c1c(O)oc2ccccc2c1=O ZINC000026479403 JK Annotated Anodyne CC[C@H](c1cccc(NC(=O)CCN[C@H]2C=Cc3ccccc32)c1)c1c(O)oc2ccccc2c1=O ZINC000026479415 JK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)[C@@](CC)(CCC)[C@@H]1Oc1ccc(C(=O)O)cc1)c1ccccc1 ZINC000026480715 JK Annotated Anodyne CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(-c4ccc5ccccc5c4)cc3)CCC2)cc1 ZINC000026485708 JK Annotated Anodyne COc1ccc(C(=O)[C@@H](Nc2ccc(C)cc2Cl)c2ccccc2Br)cc1O ZINC000026486951 JK Annotated Anodyne COc1ccc(C(=O)[C@H](Nc2ccc(C)cc2Cl)c2ccccc2Br)cc1O ZINC000026486956 JK Annotated Anodyne CC(=O)Nc1cccc(C(=O)[C@@H](Nc2ccc(Cl)cc2Cl)c2ccccc2Br)c1 ZINC000026487738 JK Annotated Anodyne CC(=O)Nc1cccc(C(=O)[C@H](Nc2ccc(Cl)cc2Cl)c2ccccc2Br)c1 ZINC000026487745 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(OCCn2ccc3ccccc32)cc1)CC(=O)N1C[C@H]2CCCC[C@H]2C1 ZINC000026487778 JK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@H]23)cc1)Cc1ccc(F)cc1 ZINC000026488904 JK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@H]23)cc1)Cc1ccc(F)cc1 ZINC000026488910 JK Annotated Anodyne C[C@@H](NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 ZINC000026489020 JK Annotated Anodyne Cc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4C(=O)c5ccccc5N[C@H]34)cc2)cc1 ZINC000026492308 JK Annotated Anodyne CNC(=O)c1cccc(C(=O)[C@@H](Nc2ccc(C)cc2Cl)c2ccccc2Br)c1 ZINC000026492396 JK Annotated Anodyne CNC(=O)c1cccc(C(=O)[C@H](Nc2ccc(C)cc2Cl)c2ccccc2Br)c1 ZINC000026492399 JK Annotated Anodyne CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)c(Br)c3)c2c1 ZINC000026492588 JK Annotated Anodyne CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)c(Br)c3)c2c1 ZINC000026492592 JK Annotated Anodyne CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)CCCCN(CCCC)CCCC)c1 ZINC000026493686 JK Annotated Anodyne c1ccc(CCNCc2cccc(COc3nn4c(C5CCCCC5)nnc4c4ccccc34)n2)cc1 ZINC000026495292 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C(=O)c3c(ccc4ccccc34)[C@H]1N(CCCBr)C2=O ZINC000026498392 JK Annotated Reactive COc1cc([C@@H]2Cc3[nH]c4ccc(C)cc4c3[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc(OC)c1OC ZINC000026499273 JK Annotated Anodyne CC(C)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 ZINC000026499322 JK Annotated Clean in-vivo CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000026499472 JK Annotated Anodyne [C-]#[N+]Cn1c(-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)cc2cc(F)ccc21 ZINC000261070940 JK Annotated Reactive COc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 ZINC000261079566 JK Annotated Anodyne O=C(Nc1cccc([C@H](CCN2CCCC2)NC2=NC=NC=CCCC=C2)c1)C1=C(F)C=CC[C@@H]1F ZINC000261082620 JK Annotated Anodyne O=C(Nc1cccc([C@@H](CCN2CCCC2)NC2=NC=NC=CCCC=C2)c1)C1=C(F)C=CC[C@H]1F ZINC000261082622 JK Annotated Anodyne O=C(Nc1cccc([C@@H](CCN2CCCC2)NC2=NC=NC=CCCC=C2)c1)C1=C(F)C=CC[C@@H]1F ZINC000261082624 JK Annotated Anodyne O=C(Nc1cccc([C@H](CCN2CCCC2)NC2=NC=NC=CCCC=C2)c1)C1=C(F)C=CC[C@H]1F ZINC000261082626 JK Annotated Anodyne CCN(CC)C1(CCCC[C@@H]2CC[C@@H](N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000261085387 JK Annotated Anodyne CC(=O)C/C=C\[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000261086479 JK Annotated Anodyne CC(=O)C/C=C\[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000261086481 JK Annotated Anodyne CC(=O)C/C=C/[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000261086483 JK Annotated Anodyne CC(=O)C/C=C/[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000261086484 JK Annotated Anodyne CC(C)c1ccnc(-c2nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2C[C@@H]2CC[C@@H](C)CC2)c1 ZINC000261090513 JK Annotated Anodyne O=S(=O)(O)c1cc(/N=N\c2ccc3cc(SOOO)ccc3c2)c(O)c2ncccc12 ZINC000261094296 JK Annotated Reactive COc1ccc(N=CC2=C(Nc3ccc(OC)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1 ZINC000261094983 JK Annotated Mild CCO[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261101075 JK Annotated Anodyne CCO[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261101076 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261102349 JK Annotated Anodyne CC(C)(C)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000261106264 JK Annotated Anodyne C=C(C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261108226 JK Annotated Mild COc1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 ZINC000261110839 JK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1N=[N+]=[N-] ZINC000261115839 JK Annotated Clean C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@@H]1N=[N+]=[N-] ZINC000261115841 JK Annotated Clean Nc1c(Cl)cc(C(=O)N(C2CC2)[C@@H]2CC[C@H](C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000261118992 JK Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)(c2ccncn2)C3)c(Cl)c1 ZINC000261119995 JK Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)(c2ccncn2)C3)c(Cl)c1 ZINC000261120005 JK Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)O[C@H]2CCCC[C@@H]21 ZINC000261121334 JK Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)O[C@@H]2CCCC[C@H]21 ZINC000261121336 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@H]1[C@H](O2)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000261122523 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@H](NCc4ccnc5ccccc45)C[C@H]2C[C@H]3c2ccccc2)c1 ZINC000261122545 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@H](NCc4ccnc5ccccc45)C[C@H]2C[C@@H]3c2ccccc2)c1 ZINC000261122556 JK Annotated Anodyne CC(C)(C)[C@H]1CN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 ZINC000261124249 JK Annotated Anodyne CC(C)(C)[C@@H]1CN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 ZINC000261124261 JK Annotated Anodyne Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 ZINC000261125098 JK Annotated Anodyne CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000261126888 JK Annotated Anodyne Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000261133341 JK Annotated Anodyne Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000261133359 JK Annotated Anodyne Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000261133360 JK Annotated Anodyne Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000261133361 JK Annotated Anodyne COc1cc2cc(C(=O)C[C@H]3CCCC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000261137708 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CCCC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000261137710 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CCCC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000261137711 JK Annotated Bother COc1cc2cc(C(=O)C[C@H]3CCCC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000261137713 JK Annotated Bother C=C(CCC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261138805 JK Annotated Mild CNc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(NC)c(C(F)(F)F)c2)cc1C(F)(F)F ZINC000261138843 JK Annotated Mild COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Br)cc4)n3)c(=O)oc12 ZINC000261139395 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 ZINC000261139418 JK Annotated Bother CN1CCC(COCc2cc(C(F)(F)F)cc(N3CC[C@H]4C[C@H]43)n2)(c2ccc(F)cc2)CC1 ZINC000261140528 JK Annotated Anodyne CN1CCC(COCc2cc(C(F)(F)F)cc(N3CC[C@@H]4C[C@H]43)n2)(c2ccc(F)cc2)CC1 ZINC000261140532 JK Annotated Anodyne O=S(=O)(Oc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)cccc2c1 ZINC000261145639 JK Annotated Anodyne CC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261148979 JK Annotated Mild O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F ZINC000261150451 JK Annotated Anodyne O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F ZINC000261150452 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@H]2c2ccc(F)cc2)cc1 ZINC000261150997 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@H]2c2ccc(F)cc2)cc1 ZINC000261150998 JK Annotated Anodyne COC[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261157503 JK Annotated Anodyne COC[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261157504 JK Annotated Anodyne CC(C)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000261158830 JK Annotated Anodyne COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC ZINC000261161910 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC ZINC000261161911 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@@+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC ZINC000261161912 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@@+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC ZINC000261161913 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N@+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000261165397 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N@@+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000261165400 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000261165404 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000261165407 JK Annotated Bother Cc1ccc(C[C@@H]2CN(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000261166891 JK Annotated Anodyne Cc1ccc(C[C@@H]2CN(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000261166893 JK Annotated Anodyne Cc1ccc(C[C@H]2CN(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000261166894 JK Annotated Anodyne Cc1ccc(C[C@H]2CN(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)N=C2c2ccc(Cl)c(C)c2)cc1 ZINC000261166896 JK Annotated Anodyne N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](N(CCCC(F)(F)F)Cc2ccccc2)CC1 ZINC000261166902 JK Annotated Anodyne C#CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000261168631 JK Annotated Mild COc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)cc(C(F)(F)F)n1 ZINC000261171406 JK Annotated Anodyne CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000261179639 JK Annotated Anodyne CC1(C)CCC(=O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000261496025 JK Annotated Anodyne in-man endogenous CC1(C)CCC(=O)[C@]2(C)[C@H]3[C@@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000261496026 JK Annotated Anodyne in-man endogenous C/C(=C/C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000261496827 JK Annotated Clean in-man endogenous C/C(=C/C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000261496828 JK Annotated Clean in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2[C@]1(C)O ZINC000261496893 JK Annotated Mild in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2[C@@]1(C)O ZINC000261496894 JK Annotated Mild in-man endogenous C[C@H]([C@H](O)CCO)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@H]3CC[C@]21C ZINC000261516101 JK Annotated Anodyne C[C@H]([C@H](O)CCO)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@H]3CC[C@]21C ZINC000261516102 JK Annotated Anodyne C[C@H]([C@H](O)CCO)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@@H]3CC[C@]21C ZINC000261516103 JK Annotated Anodyne C[C@H]([C@H](O)CCO)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@@H]3CC[C@]21C ZINC000261516104 JK Annotated Anodyne CC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H]1CC(C)=C(C)C(=O)O1 ZINC000261516160 JK Annotated Mild CC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1 ZINC000261516161 JK Annotated Mild C[C@@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H]([C@H](C)CCO)[C@@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261517796 JK Annotated Anodyne C[C@@H](CCO)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@@H]3CC[C@]21C ZINC000261517797 JK Annotated Anodyne C[C@@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H]([C@H](C)CCO)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261517798 JK Annotated Anodyne C[C@@H](CCO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@@H]3CC[C@]21C ZINC000261517799 JK Annotated Anodyne CC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC[C@H](C)C(=O)O1 ZINC000261521244 JK Annotated Mild CC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H]1CC[C@H](C)C(=O)O1 ZINC000261521245 JK Annotated Mild CC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H]1CC[C@@H](C)C(=O)O1 ZINC000261521246 JK Annotated Mild CC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC[C@@H](C)C(=O)O1 ZINC000261521247 JK Annotated Mild CCO[C@@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]32C)[C@@]2(C)CC[C@@]3(C(C)C)O[C@]132 ZINC000261524756 JK Annotated Anodyne CC[C@H](C(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000261525444 JK Annotated Anodyne CN1OC[C@@H]2CN3C(=Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)Sc4ccccc4[C@@H]3C[C@@H]21 ZINC000263590413 JK Annotated Mild CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000263590422 JK Annotated Reactive O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Br)cc1 ZINC000263590595 JK Annotated Mild O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Br)cc1 ZINC000263590596 JK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000263590641 JK Annotated Anodyne COc1ccc2c([C@@H](c3ccccc3O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)cn(C)c2c1 ZINC000263590709 JK Annotated Anodyne COc1ccc2c([C@@H](c3ccccc3O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)cn(C)c2c1 ZINC000263590710 JK Annotated Anodyne O=C(COc1ccccc1-c1ccccc1)NN/C=C1\SC(=Nc2ccccc2)N=C1Cl ZINC000263590728 JK Annotated Reactive C[C@@H]1O[C@H](c2ccccc2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@@H]12 ZINC000263590781 JK Annotated Anodyne Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1CCc1ccccn1 ZINC000263590791 JK Annotated Mild Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1CCc1ccccn1 ZINC000263590792 JK Annotated Mild C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@@H]12 ZINC000263590838 JK Annotated Anodyne C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4cc(-c5ccc6c(c5)OCO6)ccc4CCN3C[C@@H]12 ZINC000263590846 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](c2ccccc2O)c2cn(C)c3ccccc23)cc1 ZINC000263590862 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H](c2ccccc2O)c2cn(C)c3ccccc23)cc1 ZINC000263590863 JK Annotated Anodyne Cc1ccccc1CN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(N3CCC[C@@H](C)C3)c2S1(=O)=O ZINC000263590900 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cccc(N3CCC[C@@H](C)C3)c2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000263590911 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C=C1[C@H]2CC[C@]2(C)[C@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@H](C)CO1)[C@H]3C ZINC000263590993 JK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C=C1[C@@H]3C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@H]4[C@@]3(C)CC[C@@H]12 ZINC000263590994 JK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C=C1[C@@H]3C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)CC[C@@H]12 ZINC000263590995 JK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C=C1[C@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000263590996 JK Annotated Mild O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000263591014 JK Annotated Anodyne O=C(Nc1cccc(Br)c1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 ZINC000263591028 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cccc(N3CCC[C@@H](C)C3)c2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000263591071 JK Annotated Anodyne N#Cc1ccccc1NC(=O)[C@@H]1SC(=Nc2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000263591418 JK Annotated Mild N#Cc1ccccc1NC(=O)[C@H]1SC(=Nc2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000263591419 JK Annotated Mild Cc1ccc(NC(=O)[C@@H]2SC(=Nc3ccccc3)C(C(=O)Nc3ccc(Cl)cc3)=C2N)cc1 ZINC000263591423 JK Annotated Mild Cc1ccc(NC(=O)[C@H]2SC(=Nc3ccccc3)C(C(=O)Nc3ccc(Cl)cc3)=C2N)cc1 ZINC000263591424 JK Annotated Mild Cc1ccc(C)c(-n2c(-c3ccc(Br)cc3)csc2=NC(=O)c2ccccc2F)c1 ZINC000263591638 JK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000263591838 JK Annotated Reactive CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1 ZINC000263591883 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000263591884 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000263591885 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1 ZINC000263591886 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1 ZINC000263591887 JK Annotated Anodyne C=C1SC(=Nc2c(C)cc(C)cc2C)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2 ZINC000263591916 JK Annotated Mild Cc1c(Cl)cccc1NC(=O)[C@@H]1SC(=Nc2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000263592092 JK Annotated Mild Cc1c(Cl)cccc1NC(=O)[C@H]1SC(=Nc2ccccc2)C(c2nc3ccccc3s2)=C1N ZINC000263592093 JK Annotated Mild CCn1c2ccccc2c2cc(N=C3S[C@@H](CC(=O)Nc4ccccc4OC)C(=O)N3C)ccc21 ZINC000263592182 JK Annotated Mild CCn1c2ccccc2c2cc(N=C3S[C@H](CC(=O)Nc4ccccc4OC)C(=O)N3C)ccc21 ZINC000263592183 JK Annotated Mild CC(=O)Oc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000263603215 JK Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000263603216 JK Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000263603217 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000263603778 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCC[C@H]4[C@@H]3C2=O)cc1 ZINC000263603779 JK Annotated Anodyne CCS(CC)(CC)C[C@@H]1CCCC2=CC[C@H](P(=O)(c3ccccc3)c3ccccc3)C[C@@H]21 ZINC000263606300 JK Annotated Reactive CCS(CC)(CC)C[C@@H]1CCCC2=CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)C[C@@H]21 ZINC000263606301 JK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000263612384 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000263612385 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000263612386 JK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000263614401 JK Annotated Mild in-vitro C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000263614402 JK Annotated Mild in-vitro O=C(CCNc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000263620305 JK Annotated Anodyne O=C(CNCc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000263620402 JK Annotated Anodyne CC(=O)n1cc(N(C(=O)c2cccc(C(F)(F)F)c2)c2cc(O)ccc2C)c2ccccc21 ZINC000263620475 JK Annotated Anodyne C[C@@]1(C(=O)O)CC=C(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)CC1 ZINC000263620545 JK Annotated Anodyne CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C(=O)NC(C)(C)C)C2)c2cc(Cl)ccc21 ZINC000263620793 JK Annotated Anodyne CCCOc1sc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2cc(CN)ccc2F)C3)c(C)c1Br ZINC000263621065 JK Annotated Anodyne in-vitro CCCOc1sc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](c2cc(CN)ccc2F)C3)c(C)c1Br ZINC000263621066 JK Annotated Anodyne in-vitro O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)cc1O ZINC000263621155 JK Annotated Anodyne O=C(CCNCc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000263621206 JK Annotated Anodyne Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Br)cc34)s2)n1 ZINC000263621283 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000263637167 JK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000263637168 JK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000263637169 JK Annotated Reactive CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@@]23C)O1 ZINC000263638469 JK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000263638470 JK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@]23C)O1 ZINC000263638471 JK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@@]23C)O1 ZINC000263638472 JK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000026505280 JK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026505285 JK Annotated Anodyne Cc1ccccc1[C@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506922 JK Annotated Anodyne Cc1ccccc1[C@@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506927 JK Annotated Anodyne Cc1ccsc1[C@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026507949 JK Annotated Anodyne Cc1ccsc1[C@@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026507954 JK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1 ZINC000026509324 JK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1 ZINC000026567093 JK Annotated Anodyne Cc1ccccc1[C@H](c1sccc1C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026567112 JK Annotated Anodyne Cc1ccccc1[C@@H](c1sccc1C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026567116 JK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2scnc2C)CC1 ZINC000026567730 JK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2c(=O)oc3ccccc32)CC1 ZINC000026567734 JK Annotated Anodyne N#Cc1cc(Sc2nc3ccccc3s2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1O ZINC000026568776 JK Annotated Mild O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(SCc2ccccn2)nc2cc(Cl)c(Cl)cc21 ZINC000026568847 JK Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)n2c(SCc3ccccn3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000026568850 JK Annotated Bother Fc1ccc(-n2nc(CNCc3ccccc3)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026570719 JK Annotated Anodyne Fc1ccc(-n2nc(CNCc3ccccc3)c3c2[C@@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026570723 JK Annotated Anodyne Cc1cc(Sc2nc3ccccc3s2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1O ZINC000026571417 JK Annotated Anodyne CC(=O)OC(OC(C)=O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000026571697 JK Annotated Anodyne CC(=O)OC(OC(C)=O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000026571701 JK Annotated Anodyne CCCCOC(=O)c1ccc(-n2nc(C=O)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026571876 JK Annotated Anodyne CCCCOC(=O)c1ccc(-n2nc(C=O)c3c2[C@@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026571879 JK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2scnc2C)CC1 ZINC000026572424 JK Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccsc2)CC1 ZINC000026572480 JK Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000026574116 JK Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccc(Cl)cc2)N=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000026574118 JK Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCc1ccc(NS(=O)(=O)C(F)(F)F)cc1 ZINC000026574120 JK Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccc(NS(=O)(=O)C(F)(F)F)cc1 ZINC000026574122 JK Annotated Anodyne Fc1ccc(-n2nc(/C=N/c3ccccc3)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026574312 JK Annotated Mild Fc1ccc(-n2nc(/C=N/c3ccccc3)c3c2[C@@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026574313 JK Annotated Mild O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccnc2)nn1CC1CCCCC1 ZINC000026574445 JK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccn2)nn1CC1CCCCC1 ZINC000026574447 JK Annotated Anodyne CCOC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000026575160 JK Annotated Anodyne CCOC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000026575162 JK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1CC1CCCCC1 ZINC000026575252 JK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccs2)nn1CC1CCCCC1 ZINC000026575587 JK Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N=C1SCc1ccc(NS(C)(=O)=O)cc1 ZINC000026575734 JK Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccc(Cl)cc2)N=C1SCc1ccc(NS(C)(=O)=O)cc1 ZINC000026575735 JK Annotated Anodyne O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12)c1ccccc1 ZINC000026575811 JK Annotated Anodyne O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 ZINC000026575812 JK Annotated Anodyne CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(NC)cc3)[nH]2)cc1 ZINC000026575843 JK Annotated Anodyne CNc1ccc(-c2[nH]c(-c3ccc(/C=C/CCOC)cc3)nc2-c2ccc(N(C)C)cc2)cc1 ZINC000026575866 JK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccsc2)nn1CC1CCCCC1 ZINC000026575874 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2sc3ccccc3c2c1 ZINC000026575975 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1O2 ZINC000026575976 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(-c2ccc(F)cc2)cc1 ZINC000026576107 JK Annotated Anodyne CCNc1ccc(-c2[nH]c(-c3ccc(/C=C/COCC)cc3)nc2-c2ccc(NC(C)C)cc2)cc1 ZINC000026576134 JK Annotated Anodyne COCCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000026576278 JK Annotated Anodyne CCc1cc2c3c(cc[n+]2nc1CC)c1ccc(OCc2ccccc2)cc1n3C(=O)OC(C)(C)C ZINC000026576328 JK Annotated Bother CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cc2ccccc2)cc1 ZINC000026576397 JK Annotated Anodyne C=COCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCCCC1 ZINC000026576398 JK Annotated Bother CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1-2 ZINC000026576682 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1C2 ZINC000026576691 JK Annotated Anodyne CC(C)CCC1(C(=O)Nc2cc(Cl)c(Cl)cc2SC(=O)C(C)(C)C)CCCCC1 ZINC000026577029 JK Annotated Anodyne O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000026577068 JK Annotated Anodyne O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000026577069 JK Annotated Anodyne CCOCC/C=C/c1ccc(-c2nc(-c3ccc(NC)cc3)c(-c3ccc(N(CC)CC)cc3)[nH]2)cc1 ZINC000026577224 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)CCc1ccccc1-2 ZINC000026577255 JK Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(Br)cc3)c21 ZINC000026577341 JK Annotated Mild CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2oc3ccccc3c2c1 ZINC000026577698 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)[C@](C)(O)c1ccccc1-2 ZINC000026577742 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)[C@@](C)(O)c1ccccc1-2 ZINC000026577743 JK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1 ZINC000026577803 JK Annotated Mild Cc1cc2c3c(cc[n+]2nc1C)c1ccc(OCc2ccccc2)cc1n3C(=O)OC(C)(C)C ZINC000026577927 JK Annotated Bother C1=C/CCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000026578072 JK Annotated Anodyne C1=C/CCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000026578073 JK Annotated Anodyne CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC)cc3)c(-c3ccc(N4CCCC4)cc3)[nH]2)cc1 ZINC000026578169 JK Annotated Anodyne C=COCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCCCC1 ZINC000026578222 JK Annotated Bother CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2 ZINC000026578487 JK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@@H]1C#Cc1ccccc1 ZINC000026578550 JK Annotated Mild CCCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1C#Cc1ccccc1 ZINC000026578551 JK Annotated Mild C=COCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCOCC1 ZINC000026578815 JK Annotated Bother C=COCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCOCC1 ZINC000026578817 JK Annotated Bother Cc1noc(NS(=O)(=O)c2sccc2-c2ccc(CC(C)C)cc2)c1Br ZINC000026578970 JK Annotated Anodyne Cc1cc(CC(C)C)ccc1-c1ccsc1S(=O)(=O)Nc1onc(C)c1Br ZINC000026579026 JK Annotated Anodyne Cc1noc(NS(=O)(=O)c2sccc2-c2ccc(CCC(C)C)cc2)c1Br ZINC000026579101 JK Annotated Anodyne CCCCc1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)cc1 ZINC000026579103 JK Annotated Anodyne N=C(NC1CCCC1)c1ccc(N2CCCN(c3ccc(C(=N)NC4CCCC4)cc3)CC2)cc1 ZINC000026579135 JK Annotated Anodyne O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000026579356 JK Annotated Anodyne CCCCCCN(C)c1ccc(Nc2c3ccc(N(C)C)cc3nc3cc(N(C)C)ccc23)cc1 ZINC000026579406 JK Annotated Clean CN1CCN(C(=O)Cc2cn(-c3cccc(C(F)(F)F)c3)nc2-c2ccc(Cl)c(Cl)c2)CC1 ZINC000026579449 JK Annotated Anodyne Cc1cc(CCC(C)C)ccc1-c1ccsc1S(=O)(=O)Nc1onc(C)c1Br ZINC000026579663 JK Annotated Anodyne CCCc1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000026579666 JK Annotated Anodyne CCCCCOc1ccc2c3cc[n+]4nc(CC)c(CC)cc4c3n(C(=O)OC(C)(C)C)c2c1 ZINC000026579702 JK Annotated Bother CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(ccc3ccccc32)c1 ZINC000026579882 JK Annotated Bother CC(=O)O[C@@H]1[C@H](OC(=O)C23CC4CC(CC(C4)C2)C3)c2c(ccc3c(C)cc(=O)oc23)OC1(C)C ZINC000026579969 JK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026580035 JK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCC[C@H]2[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026580036 JK Annotated Anodyne Cc1cc(=O)oc2cc(SCc3n[nH]c4cccc(OCc5ccc(C(C)(C)C)cc5)c34)ccc12 ZINC000026638429 JK Annotated Anodyne C[C@@H]1CC[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)N1C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026638848 JK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCC[C@@H]2[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026640543 JK Annotated Anodyne CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026643008 JK Annotated Anodyne C=CC(C)(C)O[C@H]1COc2ccc(/C=C/C(OC)=C(C)\C(=C/OC)C(=O)OC)cc2OC1(C)C ZINC000026643392 JK Annotated Mild CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(-c2ccccc2)c1 ZINC000026644536 JK Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(-c2ccccc2)c1 ZINC000026644538 JK Annotated Anodyne CC[C@H](C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026646233 JK Annotated Anodyne CC[C@@H](C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026648417 JK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCC[C@H]2[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026648430 JK Annotated Anodyne N=C(NC1CCCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCCC4)cc3)CC2)cc1 ZINC000026649979 JK Annotated Anodyne Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(Nc2ccccc2)=Nc2ccccc21 ZINC000026650308 JK Annotated Anodyne CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)cc(C(C)(C)C)c1O ZINC000026651627 JK Annotated Anodyne O=C(OCC#CCCCC#CCS(=O)(=O)c1ccccc1)c1cccc2cc3ccccc3cc12 ZINC000026658235 JK Annotated Mild C/C1=C/C[C@@H](c2ccc3cccnc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000026658241 JK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)NC[C@@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000026660550 JK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)NC[C@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000026660556 JK Annotated Anodyne CCC(CC)C[C@@H]1OC(=O)c2c1nc1cc(OC)c(OC)c(OC)c1c2-c1ccc(OC)c(OC)c1 ZINC000026667464 JK Annotated Anodyne CCC(CC)C[C@H]1OC(=O)c2c1nc1cc(OC)c(OC)c(OC)c1c2-c1ccc(OC)c(OC)c1 ZINC000026667467 JK Annotated Anodyne O=C(OCC#CCCCCC#CCS(=O)(=O)c1ccccc1)c1ccc2cc3ccccc3cc2c1 ZINC000026667640 JK Annotated Mild O=C(OCC#CCCCCC#CCS(=O)(=O)c1ccccc1)c1cccc2cc3ccccc3cc12 ZINC000026667777 JK Annotated Mild C=CC(C)(C)O[C@H]1COc2ccc(/C=C/C(OC)=C(C)\C(=C\OC)C(=O)OC)cc2OC1(C)C ZINC000026671352 JK Annotated Mild O=C(OCC#CCCCC#CCS(=O)(=O)c1ccccc1)c1ccc2cc3ccccc3cc2c1 ZINC000026672745 JK Annotated Mild CCCc1cc2nc1ccc1[nH]c(cc1CCO)c1cc(CCO)c(ccc3[nH]c2cc3CCC)n1 ZINC000026673304 JK Annotated Bother CCCCOP(=O)(C[C@@H](CCc1ccccc1)NP(=O)(OCC)OCC)OCCCC ZINC000026715983 JK Annotated Anodyne CCCCOP(=O)(C[C@H](CCc1ccccc1)NP(=O)(OCC)OCC)OCCCC ZINC000026715987 JK Annotated Anodyne C[C@H](C/N=C1\N/C(=N\C[C@H](C)c2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000026718377 JK Annotated Mild C[C@H](C/N=C1\N/C(=N\C[C@@H](C)c2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000026718382 JK Annotated Mild C[C@@H](C/N=C1\N/C(=N\C[C@H](C)c2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000026718387 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000026720465 JK Annotated Mild Cc1ccc(CC/N=C2\N=C(NCCc3ccc(C)cc3)c3cc(Cl)c(Cl)cc32)cc1 ZINC000026720673 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C[C@@H](O)C4=C(C(=O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000026721768 JK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C[C@@H](O)C4=C(C(=O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000026721773 JK Annotated Mild Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@@H](C)C4)c3c2)sc2ccc(Cl)cc12 ZINC000026725908 JK Annotated Anodyne COC(=O)[C@@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026727640 JK Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026727645 JK Annotated Anodyne COC(=O)[C@@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026727650 JK Annotated Anodyne COC(=O)[C@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026727655 JK Annotated Anodyne Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@H](C)C4)c3c2)sc2ccc(Cl)cc12 ZINC000026728823 JK Annotated Anodyne Cn1cc(/C=C/c2cc(C3CCNCC3)nn2-c2cccc(Cl)c2)c2cc(Cl)ccc21 ZINC000026729051 JK Annotated Anodyne CCCCCc1c(/C=C/C(=O)N[C@@H](CC)CCCc2cccnc2)n(C)c2cc(OC)ccc12 ZINC000026731436 JK Annotated Anodyne O=C(c1ccc(Br)cc1)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12 ZINC000026736778 JK Annotated Anodyne CCCS(=O)(=O)CCCC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026737197 JK Annotated Anodyne CCCS(=O)(=O)CCCC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026737202 JK Annotated Anodyne CCSc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1 ZINC000026739422 JK Annotated Anodyne O=C(CC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 ZINC000026740498 JK Annotated Anodyne O=C(CC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 ZINC000026740503 JK Annotated Anodyne CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc(Cl)cc1 ZINC000026746234 JK Annotated Anodyne O=C(c1ccccc1Br)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12 ZINC000026747443 JK Annotated Anodyne O=C(O)C[C@H](O)C[P@](=O)(O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2C12CCCC2 ZINC000026749048 JK Annotated Anodyne in-vitro O=C(c1cccc(Br)c1)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12 ZINC000026751550 JK Annotated Anodyne C[C@@H](NCc1nc2ccccc2[nH]1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026751861 JK Annotated Anodyne C[C@H](NCc1nc2ccccc2[nH]1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026751866 JK Annotated Anodyne CC[C@H](C)[C@@H](/C=C/c1ccc(Cl)cc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 ZINC000026752214 JK Annotated Anodyne C[C@H](NC(=O)/C=C/c1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026816156 JK Annotated Anodyne C[C@@H](NCC(=O)OC(C)(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026816733 JK Annotated Anodyne C[C@H](NCC(=O)OC(C)(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026816738 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1cc(Cl)cc(Cl)c1O)N1CCN(c2ccccn2)CC1 ZINC000026819012 JK Annotated Clean CCOP(=O)(OCC)[C@@H](c1cc(Cl)cc(Cl)c1O)N1CCN(c2ccccn2)CC1 ZINC000026819017 JK Annotated Clean Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccc(C#N)cc2)c1 ZINC000026819888 JK Annotated Mild Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccc(-c2ccccc2)cc1 ZINC000026821591 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccc(Cl)cc2)c1 ZINC000026822471 JK Annotated Anodyne CCCCC(C)(Sc1cc(C)c(O)c(C(C)(C)C)c1)Sc1cc(C)c(O)c(C(C)(C)C)c1 ZINC000026823087 JK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1CCCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 ZINC000026824105 JK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1CCCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026824111 JK Annotated Anodyne O=C(c1cn(Cc2cncn2Cc2ccccc2)cc1-c1cccc2ccccc12)N1CCOCC1 ZINC000026827099 JK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCN(CC3CC3)CC2)c2cc(Cl)ccc21 ZINC000026827159 JK Annotated Anodyne c1ccc(Cn2c3ccccc3[n+]3nc4c(c(-c5ccccc5)c23)-c2cccc3cccc-4c23)cc1 ZINC000026827190 JK Annotated Anodyne CC(C)CCN1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)CC1 ZINC000026828478 JK Annotated Anodyne C[C@H](CC(=O)CC(C)(C)O)C1=C2CC[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1=O ZINC000026829885 JK Annotated Anodyne C[C@H](CC(=O)CC(C)(C)O)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1=O ZINC000026829890 JK Annotated Anodyne C[C@H](CC(=O)CC(C)(C)O)C1=C2CC[C@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1=O ZINC000026829894 JK Annotated Anodyne C[C@H](CC(=O)CC(C)(C)O)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1=O ZINC000026829898 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026829928 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026829937 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1 ZINC000026832344 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1 ZINC000026832352 JK Annotated Anodyne C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1 ZINC000026832356 JK Annotated Anodyne C[C@@H]1C[C@H]([C@H]2OC2(C)C)O[C@@H]2C[C@@]3(C)C(=C12)CC[C@H]1[C@]3(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000026832924 JK Annotated Anodyne C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026835926 JK Annotated Mild C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026835933 JK Annotated Mild CCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)cc1)S(C)(=O)=O ZINC000026836293 JK Annotated Clean CCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000026836714 JK Annotated Clean CCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000026836716 JK Annotated Clean C[C@H](Cc1cc(C(=O)O)co1)[C@]1(C)CC=C2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000026836894 JK Annotated Anodyne C[C@H](Cc1cc(C(=O)O)co1)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000026836898 JK Annotated Anodyne CCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O ZINC000026837276 JK Annotated Clean CCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O ZINC000026837280 JK Annotated Clean O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F ZINC000026837460 JK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026837661 JK Annotated Clean CCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026837821 JK Annotated Clean CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000026839503 JK Annotated Clean O=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(I)cc1 ZINC000026839590 JK Annotated Anodyne NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026839927 JK Annotated Clean CCS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)c(OC)c1 ZINC000026840101 JK Annotated Clean CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026840502 JK Annotated Clean CC(=O)Nc1ccc2c(Nc3ccc(N(C(=O)C(C)C)S(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000026840997 JK Annotated Clean CCCN(C)/N=N/c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 ZINC000026841174 JK Annotated Clean CCCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(C(F)(F)F)cc1 ZINC000026841216 JK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(NC(C)=O)cccc23)c(OC)c1 ZINC000026841606 JK Annotated Clean CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 ZINC000026841612 JK Annotated Clean Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cc(N)c(Br)cc3nc12 ZINC000026841764 JK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2cc(C(F)(F)F)ccc12 ZINC000026841841 JK Annotated Clean CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026841900 JK Annotated Clean Cc1cccc2c(Nc3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)c3ccc(Cl)cc3nc12 ZINC000026842241 JK Annotated Clean CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(I)cc23)cc1 ZINC000026842346 JK Annotated Clean CCCCCC=C(c1cc(Cl)c(OC)c(C(C)=O)c1)c1cc(Cl)c(OC)c(C(C)=O)c1 ZINC000026842766 JK Annotated Anodyne CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026842928 JK Annotated Clean CCc1cc([C@](C#CC2CC2)(OCc2c(Cl)cccc2Cl)C(F)(F)F)c(=O)[nH]c1C ZINC000026843096 JK Annotated Mild CCc1cc([C@@](C#CC2CC2)(OCc2c(Cl)cccc2Cl)C(F)(F)F)c(=O)[nH]c1C ZINC000026843102 JK Annotated Mild CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026843378 JK Annotated Clean CN(C)CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026843530 JK Annotated Clean CCS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3c(C)c(C)ccc23)c(OC)c1 ZINC000026843800 JK Annotated Clean CCS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)c(C)ccc23)c(OC)c1 ZINC000026843805 JK Annotated Clean CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1 ZINC000026844047 JK Annotated Bother CCCc1sc(NS(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000026844651 JK Annotated Anodyne O=S(=O)(/C=C/c1ccc(F)c(F)c1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026845317 JK Annotated Anodyne CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(C)c(C)c3nc2c1 ZINC000026845718 JK Annotated Clean CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026845951 JK Annotated Clean C#CCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000026846367 JK Annotated Mild COc1cc(NS(=O)(=O)c2ccc(N)cc2)ccc1Nc1c2ccccc2nc2c(C)cccc12 ZINC000026846499 JK Annotated Clean CCCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)cc1)S(C)(=O)=O ZINC000026846648 JK Annotated Clean CCCCOc1cccc2c(Nc3ccc(NS(=O)(=O)CCC)cc3OC)c3ccccc3nc12 ZINC000026846754 JK Annotated Clean CCCN(C)/N=N/c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000026847301 JK Annotated Clean CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3cc(C(F)(F)F)ccc23)cc1 ZINC000026847306 JK Annotated Clean CC(=O)Nc1ccc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c3cccc(C)c3nc2c1 ZINC000026847698 JK Annotated Clean Cc1ccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccc([N+](=O)[O-])cc3nc2c1C ZINC000026847742 JK Annotated Clean CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(OC)cccc23)c(OC)c1 ZINC000026848456 JK Annotated Clean Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)c(C)ccc12 ZINC000026848474 JK Annotated Clean COCCCCC=C(c1cc(Cl)c(OC)c(COC)c1)c1cc(Cl)c(OC)c(COC)c1 ZINC000026848480 JK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12 ZINC000026848498 JK Annotated Clean Cc1cc(NS(=O)(=O)c2ccc(N)cc2)ccc1Nc1c2ccccc2nc2c(C)cccc12 ZINC000026849561 JK Annotated Clean O=S(=O)(/C=C/c1ccc2ccccc2c1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026851114 JK Annotated Anodyne Nc1ccc(CCS(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 ZINC000026851537 JK Annotated Clean Nc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4cc(N)ccc34)cc2)cc1 ZINC000026852080 JK Annotated Clean COC(=O)c1ccc(/C=C/S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000026935384 JK Annotated Anodyne CCCc1sc(NS(=O)(=O)/C=C/c2ccc(C)cc2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000026935810 JK Annotated Anodyne CCCc1sc(NS(=O)(=O)/C=C/c2ccc3ccccc3c2)nc1-c1ccc2ccccc2c1 ZINC000026935814 JK Annotated Anodyne CCCCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12 ZINC000026935934 JK Annotated Clean CCN(CC)/N=N/c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000026935937 JK Annotated Clean O=S(=O)(/C=C/c1ccccc1Cl)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026935958 JK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)c([N+](=O)[O-])ccc12 ZINC000026936575 JK Annotated Clean CCCCc1ccc(/C=C/S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000026937470 JK Annotated Anodyne CCCc1sc(NS(=O)(=O)/C=C/c2ccc(C)cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026937501 JK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2c(C)cccc12 ZINC000026937548 JK Annotated Clean CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cccc(NC(=O)c3ccc(N=[N+]=[N-])cc3)c1)[C@H](C)N2 ZINC000026937731 JK Annotated Mild CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cccc(NC(=O)c3ccc(N=[N+]=[N-])cc3)c1)[C@@H](C)N2 ZINC000026937737 JK Annotated Mild CCCc1sc(NS(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026939034 JK Annotated Anodyne O=S(=O)(/C=C/c1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026939582 JK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(/N=N/N(C)C)ccc12 ZINC000026939902 JK Annotated Clean CCCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026939958 JK Annotated Anodyne CCCc1sc(NS(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1 ZINC000026939965 JK Annotated Anodyne O=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026940001 JK Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc(N)cc2)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000026940515 JK Annotated Clean CCCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12 ZINC000026941082 JK Annotated Clean CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(OC)cccc23)c(OC)c1 ZINC000026941089 JK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1 ZINC000026941405 JK Annotated Clean COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(Cl)cc3nc2c1 ZINC000026941759 JK Annotated Clean Cc1cc(C)c2ccc(NC(=O)c3cccnc3[S@@](=O)C(c3ccccc3)c3ccccc3)nc2n1 ZINC000026947871 JK Annotated Anodyne Cc1cc(C)c2ccc(NC(=O)c3cccnc3[S@](=O)C(c3ccccc3)c3ccccc3)nc2n1 ZINC000026947878 JK Annotated Anodyne Clc1ccc(N2CCC(CCOc3ccc(/C=N/OCc4ccccc4)cc3)CC2)nn1 ZINC000026950990 JK Annotated Mild CNC(=O)OCc1cc(NC(=O)OC(C)(C)C)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000026953228 JK Annotated Clean COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)(C)C(=O)O)cc2)cc1 ZINC000026956041 JK Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000026962095 JK Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCCCCCCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026962103 JK Annotated Anodyne CCCCCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000026966117 JK Annotated Anodyne NCCCCCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000026972388 JK Annotated Anodyne CCCCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000026972396 JK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000026974889 JK Annotated Anodyne COC(=O)CCc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000026976023 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccc(OC)cc3)[nH]2)c1 ZINC000026982901 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccc(OC)cc3)[nH]2)c1 ZINC000026982908 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3C)[nH]2)c1 ZINC000026984612 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccccc3C)[nH]2)c1 ZINC000026984618 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3cccc(OC)c3)[nH]2)c1 ZINC000026985717 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3cccc(OC)c3)[nH]2)c1 ZINC000026985726 JK Annotated Anodyne Cc1c(OC(=O)c2ccc(N)cc2)c(=O)ccn1CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026990265 JK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc3ccccc3c2)N=C(c2ccc(N=[N+]=[N-])cc2)c2cc(Cl)ccc21 ZINC000026994736 JK Annotated Mild CN1C(=O)[C@H](Cc2ccc3ccccc3c2)N=C(c2ccc(N=[N+]=[N-])cc2)c2cc(Cl)ccc21 ZINC000026994742 JK Annotated Mild COc1ccc2c(ccn2CCCCCCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 ZINC000026997017 JK Annotated Bother C[N+](C)(C)c1ccc(C(=O)OCCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000026997023 JK Annotated Bother C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000026997110 JK Annotated Bother CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Br)cc2Cl)c1Cl ZINC000026997926 JK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc(OC(F)(F)F)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026997943 JK Annotated Anodyne CN1C(=O)[C@H](Cc2ccc(OC(F)(F)F)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026997949 JK Annotated Anodyne COc1ccc(CN[C@@H](CN[C@@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1OC ZINC000026997964 JK Annotated Anodyne COc1ccc(CN[C@H](CN[C@@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1OC ZINC000026997970 JK Annotated Anodyne COc1ccc(CN[C@@H](CN[C@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1OC ZINC000026997976 JK Annotated Anodyne COc1ccc(CN[C@H](CN[C@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1OC ZINC000026997983 JK Annotated Anodyne C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027072924 JK Annotated Bother COc1ccc2c(ccn2CCCCCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 ZINC000027074008 JK Annotated Bother Cc1cc(C2=N[C@H](Cc3ccc4ccccc4c3)C(=O)N(C)c3ccc(Cl)cc32)ccc1O ZINC000027074415 JK Annotated Anodyne Cc1cc(C2=N[C@@H](Cc3ccc4ccccc4c3)C(=O)N(C)c3ccc(Cl)cc32)ccc1O ZINC000027074421 JK Annotated Anodyne CCCCCCOC[C@@]12C[C@@]34[C@@H](CC[C@]3(C)C4(Cl)Cl)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027080892 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083445 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083451 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)cccc3c(=O)c21 ZINC000027083736 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)cccc3c(=O)c21 ZINC000027083743 JK Annotated Mild COc1ccc2c(ccn2CCCCCCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 ZINC000027083806 JK Annotated Bother CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083854 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083857 JK Annotated Mild COCCC/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027084491 JK Annotated Mild COCCC/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027084497 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3cccc(Cl)c3c(=O)c21 ZINC000027084977 JK Annotated Mild C[N+](C)(C)c1ccc(C(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027084987 JK Annotated Bother O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(I)cc3c(=O)c21 ZINC000027085271 JK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(I)cc3c(=O)c21 ZINC000027085277 JK Annotated Anodyne CCc1cc(OCCc2ccccc2)cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000027085740 JK Annotated Anodyne CCN(CC)CC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027086237 JK Annotated Mild CCN(CC)CC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027086243 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21 ZINC000027086565 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21 ZINC000027086572 JK Annotated Mild C=CCNCC/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086851 JK Annotated Mild C=CCNCC/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086857 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(F)cc3c(=O)c21 ZINC000027087564 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(F)cc3c(=O)c21 ZINC000027087571 JK Annotated Mild CCN(CC)CC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087880 JK Annotated Mild CCN(CC)CC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087885 JK Annotated Mild C[C@@H](C/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21)N(C)C ZINC000027088116 JK Annotated Mild C[C@H](C/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21)N(C)C ZINC000027088124 JK Annotated Mild C[C@@H](C/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21)N(C)C ZINC000027088130 JK Annotated Mild C[C@H](C/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21)N(C)C ZINC000027088135 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027090568 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027091431 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027091436 JK Annotated Mild CSc1ccc([C@@H]2C/C(=N\CCCN(C)C)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027091608 JK Annotated Mild CSc1ccc([C@H]2C/C(=N\CCCN(C)C)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027091614 JK Annotated Mild CCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091619 JK Annotated Mild CCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091626 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccccc2C(F)(F)F)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091689 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccccc2C(F)(F)F)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091697 JK Annotated Mild CSCCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091786 JK Annotated Mild CSCCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091795 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027092272 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027092278 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027092298 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027092304 JK Annotated Mild CC(=O)Oc1ccccc1Cc1cc(Cl)cc(Cc2ccccc2OC(C)=O)c1OC(C)=O ZINC000027094377 JK Annotated Anodyne CCc1ccc2[nH]c3c(c(=O)c2c1)/C(=N/CCCN(C)C)C[C@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000027094952 JK Annotated Mild CCc1ccc2[nH]c3c(c(=O)c2c1)/C(=N/CCCN(C)C)C[C@@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000027094960 JK Annotated Mild O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1CC(Cl)=CC=C1N2Cc1ccccc1 ZINC000027094985 JK Annotated Mild O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1CC(Cl)=CC=C1N2Cc1ccccc1 ZINC000027094988 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096080 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096087 JK Annotated Mild CCCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096095 JK Annotated Mild CCCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096102 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2c(Cl)cccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096701 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2c(Cl)cccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096709 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2cccc3ccccc23)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098012 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2cccc3ccccc23)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098020 JK Annotated Mild O=c1nc(O)n(C/C=C/c2cc(OCc3ccc(Cl)cc3)cc(OCc3ccc(Cl)cc3)c2)o1 ZINC000027098837 JK Annotated Anodyne C=CCNCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099466 JK Annotated Mild C=CCNCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099472 JK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099848 JK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099854 JK Annotated Mild CC/C(=C\Cn1oc(=O)nc1O)c1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000027100245 JK Annotated Anodyne C/C(=C/Cn1oc(=O)nc1O)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000027100266 JK Annotated Anodyne CCN(CC)CC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027100701 JK Annotated Mild CCN(CC)CC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027100706 JK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H](C)CC[C@@]23C(=C[C@@H](OC(=O)C(C)C)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000027100777 JK Annotated Anodyne in-vitro biogenic C[C@@H](C/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)N(C)C ZINC000027100934 JK Annotated Mild C[C@H](C/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)N(C)C ZINC000027100937 JK Annotated Mild C[C@@H](C/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)N(C)C ZINC000027100942 JK Annotated Mild C[C@H](C/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)N(C)C ZINC000027100947 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC(=O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000027103678 JK Annotated Mild COc1cc2c3c(cc4cc(OC)c(OCc5ccccc5)c(OC)c4c3c1)N(CCC=O)C2=O ZINC000027103994 JK Annotated Mild Cc1cc(C)cc(C(=O)N2[C@@H]3C=C(c4ccccc4)[C@H]2C[C@H](NCc2ccnc4ccccc24)C3)c1 ZINC000027104945 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@@H]3C=C(c4ccccc4)[C@H]2C[C@@H](NCc2ccnc4ccccc24)C3)c1 ZINC000027104946 JK Annotated Anodyne CCN(CC)CCn1[nH]c2c3cc(OCc4ccccc4)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027105607 JK Annotated Bother COc1cc2cc3c4c(cccc4c2c(OC)c1OCc1ccccc1)C(=O)N3CCCCN(C)C ZINC000027106019 JK Annotated Bother Cc1ccc(CS[C@@H]2NC(=O)n3cnc(CCCCCOCc4ccccc4)c3N2)cc1 ZINC000027106184 JK Annotated Anodyne Cc1ccc(CS[C@H]2NC(=O)n3cnc(CCCCCOCc4ccccc4)c3N2)cc1 ZINC000027106188 JK Annotated Anodyne COc1cc2cc3c4c(cccc4c2c(OC)c1OCc1ccccc1)C(=O)N3CCCC=O ZINC000027106757 JK Annotated Mild O/C(CN1CCCCC1)=N\c1nc2cc3nc(/N=C(\O)CN4CCCCC4)sc3cc2s1 ZINC000027107012 JK Annotated Mild Brc1ccc(Br)c2c1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 ZINC000027108024 JK Annotated Anodyne Brc1ccc(Br)c2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027108027 JK Annotated Anodyne Cc1ccc(-n2nc(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1C ZINC000027108427 JK Annotated Clean Cc1cc(C)cc(C(=O)N2[C@H]3C[C@@H](NCc4ccnc5ccccc45)C[C@@H]2[C@@H](c2ccccc2)C3)c1 ZINC000027109413 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@H](NCc4ccnc5ccccc45)C[C@@H]2[C@@H](c2ccccc2)C3)c1 ZINC000027109415 JK Annotated Anodyne CCN(CC)[C@@H](C)/C(O)=N/c1nc2cc3nc(/N=C(\O)[C@@H](C)N(CC)CC)sc3cc2s1 ZINC000027109663 JK Annotated Mild CCN(CC)[C@H](C)/C(O)=N/c1nc2cc3nc(/N=C(\O)[C@@H](C)N(CC)CC)sc3cc2s1 ZINC000027109665 JK Annotated Mild CCN(CC)[C@@H](C)/C(O)=N/c1nc2cc3nc(/N=C(\O)[C@H](C)N(CC)CC)sc3cc2s1 ZINC000027109667 JK Annotated Mild CCN(CC)C/C(O)=N/c1nc2c(cc(Cl)c3nc(/N=C(\O)CN(CC)CC)sc32)s1 ZINC000027110104 JK Annotated Mild CCN(CC)C/C(O)=N/c1nc2c(Cl)c3nc(/N=C(\O)CN(CC)CC)sc3c(C)c2s1 ZINC000027179625 JK Annotated Mild CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CC)CC)sc3c(Cl)c2s1 ZINC000027186744 JK Annotated Mild CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CC)CC)sc3c(C)c2s1 ZINC000027186751 JK Annotated Mild O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1[C@@H](Cc2ccccc2)[C@H]2CC[C@@H]1C2 ZINC000027186786 JK Annotated Anodyne O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1[C@H]2CC[C@H](C2)[C@@H]1Cc1ccccc1 ZINC000027186792 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@]2(c2ccc(OC)cc2)C(F)(F)F)cc1 ZINC000027192840 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@]2(c2ccc(OC)cc2)C(F)(F)F)cc1 ZINC000027192845 JK Annotated Anodyne COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(CCCCc3ccccc3)c2c1 ZINC000027194044 JK Annotated Anodyne S=C(SSC(=S)[C@@H]1CCC/C1=N\c1ccccc1)[C@@H]1CCC/C1=N\c1ccccc1 ZINC000027195509 JK Annotated Reactive S=C(SSC(=S)[C@@H]1CCC/C1=N\c1ccccc1)[C@H]1CCC/C1=N\c1ccccc1 ZINC000027195515 JK Annotated Reactive S=C(SSC(=S)[C@H]1CCC/C1=N\c1ccccc1)[C@H]1CCC/C1=N\c1ccccc1 ZINC000027195525 JK Annotated Reactive COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2c(OC)cc(OC)cc2OC)cc1 ZINC000027196050 JK Annotated Anodyne CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 ZINC000027196711 JK Annotated Clean COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000027197364 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000027197496 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000027198566 JK Annotated Mild COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000027199385 JK Annotated Anodyne C#CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027201963 JK Annotated Mild C#CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027201968 JK Annotated Mild C#CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027201971 JK Annotated Mild C#CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027201977 JK Annotated Mild CCCc1c(OC[C@@H](O)COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)ccc(Cl)c1Cl ZINC000027202526 JK Annotated Anodyne CCCc1c(OC[C@H](O)COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)ccc(Cl)c1Cl ZINC000027202532 JK Annotated Anodyne CCOC(=O)/C=C/c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12 ZINC000027202572 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000027204539 JK Annotated Anodyne CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C2N=NN=N2)c2cc(OCc3ccccc3)ccc21 ZINC000027204633 JK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027205242 JK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027205248 JK Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@@H]1Oc1ccc(CC(=O)O)cc1 ZINC000027207077 JK Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@H]1Oc1ccc(CC(=O)O)cc1 ZINC000027207082 JK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027209829 JK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027209833 JK Annotated Anodyne O=C(CCc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1)Nc1ccc(N2CCOCC2=O)cc1F ZINC000027210570 JK Annotated Anodyne CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1Cc1cncn1Cc1ccccc1 ZINC000027211085 JK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211149 JK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211153 JK Annotated Anodyne CC#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027211258 JK Annotated Mild CC#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027211262 JK Annotated Mild CC#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027211265 JK Annotated Mild CC#C[C@]1(O)CC[C@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027211269 JK Annotated Mild COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211850 JK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211853 JK Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027212231 JK Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027212235 JK Annotated Anodyne CC(C)c1nn(-c2cccc3ccccc23)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)O1 ZINC000027216923 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C\CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000027302191 JK Annotated Reactive C=CCCC/C=C(/C)CC1=C[C@H]2[C@H]3[C@H](C)C[C@H]4[C@@H]([C@@H]3C=C(CO)C[C@H]2C1=O)C4(C(C)=O)C(C)=O ZINC000027304424 JK Annotated Mild C=CCCC/C=C(/C)CC1=C[C@H]2[C@H]3[C@@H](C)C[C@H]4[C@@H]([C@@H]3C=C(CO)C[C@H]2C1=O)C4(C(C)=O)C(C)=O ZINC000027304430 JK Annotated Mild CN(C)C[C@@H]1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000027305545 JK Annotated Mild CN(C)C[C@H]1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000027305550 JK Annotated Mild COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc2c(N)noc2c1 ZINC000027306091 JK Annotated Anodyne Oc1ccc2c(c1)OC=C(C(=S)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2 ZINC000027307697 JK Annotated Anodyne O=C(C1=COc2cc(O)ccc2O1)N1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027308674 JK Annotated Anodyne CN(C)C[C@@H]1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)C1=O ZINC000027309804 JK Annotated Mild CN(C)C[C@H]1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)C1=O ZINC000027309809 JK Annotated Mild CN(C)c1ccc(C2=CC(=C3C=CC(=[N+](C)C)C=C3)SC(c3ccc(N(C)C)cc3)=C2)cc1 ZINC000027310343 JK Annotated Mild CC(C)(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)(C)C ZINC000027310920 JK Annotated Anodyne Cc1ccc(S(=O)(=O)c2cc(Oc3ccccc3)ccc2OCCO[C@@H]2CCCCO2)cc1 ZINC000027311597 JK Annotated Anodyne Cc1ccc(S(=O)(=O)c2cc(Oc3ccccc3)ccc2OCCO[C@H]2CCCCO2)cc1 ZINC000027311602 JK Annotated Anodyne O=C(CCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000027311766 JK Annotated Anodyne Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O ZINC000027313998 JK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000027314022 JK Annotated Anodyne O=c1[nH]c(SCCCCCCCSc2ccc(Cl)cc2)ncc1Cc1cccnc1 ZINC000027314135 JK Annotated Anodyne O=C(CCCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000027314528 JK Annotated Anodyne O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1c(Cl)cccc1C(F)(F)F ZINC000027315366 JK Annotated Anodyne CC(C)(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)(C)C ZINC000027317031 JK Annotated Anodyne CC(C)(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)CC(C)(C)C ZINC000027317032 JK Annotated Anodyne CC(C)(C)CC(=O)O[C@H]1[C@H](OC(=O)CC(C)(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027317039 JK Annotated Anodyne CCCCn1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cc1=O ZINC000027317060 JK Annotated Anodyne CCSC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)SCC)cc3)o2)cc1 ZINC000027317903 JK Annotated Anodyne C[C@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3C(F)(F)F)C(=O)CCC2)cc1 ZINC000027319693 JK Annotated Mild Cc1cc(SCCn2cccc2)c2cc3c(SCCn4cccc4)cc(C)nc3c(C)c2n1 ZINC000027321096 JK Annotated Bother Cc1cc(-c2c(F)cc3/c(=N/Nc4cnc5ccccc5c4)ccn(C4CC4)c3c2F)cc(C)n1 ZINC000027322530 JK Annotated Anodyne CCc1ccnc2c1C(=O)c1ccccc1[C@@]21C=C2c3ccccc3C(=O)c3nccc(c32)[C@@H]1C ZINC000027328062 JK Annotated Anodyne COc1c(C=O)c(C)c(Cl)c(Oc2cccnc2)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000027330290 JK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)Nc2cc(C)c(C(=O)OCC)cc2[C@@H]1/C=C/c1ccccc1 ZINC000027330716 JK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)Nc2cc(C)c(C(=O)OCC)cc2[C@H]1/C=C/c1ccccc1 ZINC000027330719 JK Annotated Anodyne CCC[C@@]12c3c(ccc(OC)c3OC)C[C@H](NC)[C@]1(OCCCc1ccccc1)C=CC(=O)[C@H]2C ZINC000027412035 JK Annotated Mild CCC[C@@]12c3c(ccc(OC)c3OC)C[C@@H](NC)[C@]1(OCCCc1ccccc1)C=CC(=O)[C@H]2C ZINC000027412040 JK Annotated Mild CC(C)CCC(=O)[C@@H](C)[C@@]1(O)[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000027419151 JK Annotated Anodyne CC(C)CCC(=O)[C@@H](C)[C@@]1(O)[C@H](O)C[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000027419156 JK Annotated Anodyne Cc1cc(CCCCCOc2c(Br)cc(C3=NCCO3)cc2Br)on1 ZINC000027419997 JK Annotated Anodyne CC(=O)c1ccc(CCCCCOc2c(Br)cc(C3=NCCO3)cc2Br)o1 ZINC000027422730 JK Annotated Anodyne O=C(Cc1ccccc1C(=O)O)Nc1cccc(/C=C/c2nc(C(F)(F)C(F)(F)F)cs2)c1 ZINC000027424341 JK Annotated Anodyne CCc1cccc(N(C)/C(N)=N/c2cc(Br)cc(SC)c2Br)c1 ZINC000027424490 JK Annotated Mild CCc1cccc(N(C)/C(N)=N/c2cc(Br)cc(OC(F)(F)F)c2Br)c1 ZINC000027426371 JK Annotated Mild CN(Cc1ccccc1)C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000027426618 JK Annotated Anodyne CC(C)CCC(=O)[C@@H](C)[C@@]1(O)C(=O)C[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@@]3(C)CC[C@]12C ZINC000027428925 JK Annotated Anodyne CC(C)CCC(=O)[C@@H](C)[C@@]1(O)C(=O)C[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000027428930 JK Annotated Anodyne CCc1cccc(N(C)/C(N)=N/c2cc(Br)cc(C(F)(F)F)c2Br)c1 ZINC000027429330 JK Annotated Mild Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)Nc1ccc(N(C)C)cc1 ZINC000027430134 JK Annotated Anodyne C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCCCCN=C=S ZINC000027431223 JK Annotated Reactive C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCCCCN=C=S ZINC000027431230 JK Annotated Reactive Oc1ccc2c(c1Cc1ccccc1)OC[C@H]1c3cc4c(c(Cc5ccccc5)c3O[C@@H]21)OCO4 ZINC000027434180 JK Annotated Anodyne O=C(CCl)Nc1ccc2c(OC(=O)CCl)c(-c3cccc(Oc4ccccc4)c3)c(=O)[nH]c2c1 ZINC000027434733 JK Annotated Reactive Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)Nc1ccc(F)c(F)c1 ZINC000027434912 JK Annotated Anodyne CC[C@@H]1CCCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000027436554 JK Annotated Clean CC[C@H]1CCCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000027436559 JK Annotated Clean C[C@@]1(O)CC(=O)O[C@H](CSc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)C1 ZINC000027438236 JK Annotated Anodyne C[C@@]1(O)CC(=O)O[C@H](CSc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)[nH]2)C1 ZINC000027438256 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2OCCOCCO[C@@H]3C[C@H](C(C)(C)C)CC[C@@H]3OCCOCCO[C@@H]2C1 ZINC000027439661 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2OCCOCCO[C@@H]3C[C@@H](C(C)(C)C)CC[C@@H]3OCCOCCO[C@@H]2C1 ZINC000027439666 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2OCCOCCO[C@@H]3C[C@H](C(C)(C)C)CC[C@H]3OCCOCCO[C@@H]2C1 ZINC000027439673 JK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2OCCOCCO[C@@H]3C[C@@H](C(C)(C)C)CC[C@H]3OCCOCCO[C@@H]2C1 ZINC000027439679 JK Annotated Anodyne CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(CCCCCN=[N+]=[N-])C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000027440605 JK Annotated Mild CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(CCCCCN=[N+]=[N-])C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000027440611 JK Annotated Mild CC(C)(C)OC(=O)C[C@@](C)(O)C[C@@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000027441150 JK Annotated Bother CC(C)(C)OC(=O)C[C@](C)(O)C[C@@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000027441156 JK Annotated Bother CC(C)(C)OC(=O)C[C@@](C)(O)C[C@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000027441160 JK Annotated Bother CC(C)(C)OC(=O)C[C@](C)(O)C[C@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000027441166 JK Annotated Bother CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCN=[N+]=[N-])C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027442383 JK Annotated Mild CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCN=[N+]=[N-])C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027442389 JK Annotated Mild CC(=O)O[C@H]1[C@@H](NC(=O)C=C(C)C)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@H]12 ZINC000027443178 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](NC(=O)C=C(C)C)CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@H]4[C@@H]3CC[C@H]12 ZINC000027443183 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](NC(=O)C=C(C)C)CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@@H]4[C@@H]3CC[C@@H]12 ZINC000027443188 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](NC(=O)C=C(C)C)CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@H]4[C@@H]3CC[C@@H]12 ZINC000027443193 JK Annotated Anodyne in-vivo CC[N+](C)(CC)CCCOc1ccc2c(c1)C(=O)c1cc(OCCC[N+](C)(CC)CC)ccc1-2 ZINC000027469280 JK Annotated Bother O=C(NC(=O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000027496084 JK Annotated Anodyne O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C(=Nc2ccccc2)S1 ZINC000271773637 JK Annotated Mild CC1=C[C@H](C)C[C@@H](C)[C@@H](Cc2cnco2)OC(=O)C(C)=C[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC1=O ZINC000271775347 JK Annotated Anodyne CC1=C[C@H](C)C[C@@H](C)[C@H](Cc2cnco2)OC(=O)C(C)=C[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC1=O ZINC000271775354 JK Annotated Anodyne CC1=C[C@H](C)C[C@H](C)[C@@H](Cc2cnco2)OC(=O)C(C)=C[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC1=O ZINC000271775360 JK Annotated Anodyne CC1=C[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC(=O)C(C)=C[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC1=O ZINC000271775364 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1C(=O)c2ccccc2S[C@@H]1C)P(=O)(OCC)OCC ZINC000027518020 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1C(=O)c2ccccc2S[C@@H]1C)P(=O)(OCC)OCC ZINC000027518021 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1C(=O)c2ccccc2S[C@H]1C)P(=O)(OCC)OCC ZINC000027518022 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1C(=O)c2ccccc2S[C@H]1C)P(=O)(OCC)OCC ZINC000027518023 JK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)CS[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000027518662 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1CSc2ccc(C)cc2C1=O)P(=O)(OCC)OCC ZINC000027518686 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1CSc2ccc(C)cc2C1=O)P(=O)(OCC)OCC ZINC000027518687 JK Annotated Anodyne CN(C)CCCN(C(=O)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12)c1ccccc1 ZINC000027519057 JK Annotated Bother CCOC(=O)[C@@H](CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)C(=O)c1ccccc1 ZINC000027519275 JK Annotated Anodyne CCOC(=O)[C@H](CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)C(=O)c1ccccc1 ZINC000027519277 JK Annotated Anodyne COc1ccc(CCN(C)[C@@H]2CCC[C@@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000027519563 JK Annotated Mild COc1ccc(CCN(C)[C@H]2CCC[C@@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000027519565 JK Annotated Mild COc1ccc(CCN[C@@H]2CCC[C@@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000027519626 JK Annotated Mild COc1ccc(CCN[C@H]2CCC[C@@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000027519628 JK Annotated Mild COc1ccc(CCN[C@@H]2CCC[C@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000027519630 JK Annotated Mild COc1ccc(CCN[C@H]2CCC[C@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000027519632 JK Annotated Mild CC1(C)C[C@]2(c3ccc(Oc4ccccc4)cc3)O[C@H](COc3ccc(Cl)cc3)CN2C1=O ZINC000027521126 JK Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)Cc1cccc2sccc12 ZINC000027521548 JK Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)Cc1cccc2sccc12 ZINC000027521551 JK Annotated Anodyne CCN(CC)c1ccc(NC[C@@H]2CN=C(c3ccccc3F)c3ccccc3N2C)cc1C(F)(F)F ZINC000027521689 JK Annotated Anodyne CCN(CC)c1ccc(NC[C@H]2CN=C(c3ccccc3F)c3ccccc3N2C)cc1C(F)(F)F ZINC000027521691 JK Annotated Anodyne CC(=O)c1ccc2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cccc(C(C)=O)c3c(O)c2c1 ZINC000027521852 JK Annotated Clean O=[N+]([O-])c1ccc(/N=N/c2c3ccccc3c(O)c3c(O)c4ccccc4cc23)c([N+](=O)[O-])c1 ZINC000027521856 JK Annotated Clean C=CCOc1ccc2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cccc(C(C)=O)c3c(O)c2c1 ZINC000027522234 JK Annotated Mild O=[N+]([O-])c1ccc(N(Cc2ccccc2)N=c2c3ccccc3oc3ccccc23)c([N+](=O)[O-])c1 ZINC000027522998 JK Annotated Bother O[C@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1 ZINC000027523673 JK Annotated Anodyne O[C@@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1 ZINC000027523674 JK Annotated Anodyne O[C@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1 ZINC000027523675 JK Annotated Anodyne O[C@@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1 ZINC000027523676 JK Annotated Anodyne COC(=O)c1c(SC)cc(-c2ccc(Br)cc2)cc1-c1ccc(Br)cc1 ZINC000027524419 JK Annotated Anodyne CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(Br)cccc23)c1 ZINC000027524487 JK Annotated Clean CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 ZINC000027524782 JK Annotated Anodyne CSc1nc(CO)c(CO)n1CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000027525461 JK Annotated Clean COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)cc3C=C[C@H]12 ZINC000027525942 JK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)cc3C=C[C@@H]12 ZINC000027525944 JK Annotated Anodyne C[C@@H](CN1CCC(N(C)C)CC1)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12 ZINC000027526057 JK Annotated Anodyne C[C@H](CN1CCC(N(C)C)CC1)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12 ZINC000027526059 JK Annotated Anodyne CCN(CC)CCn1[nH]c2c3ccc(OCc4ccccc4)cc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027526070 JK Annotated Bother CCc1cccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)/C(O)=N/S(=O)(=O)C(F)(F)F)c1 ZINC000027526697 JK Annotated Mild CCc1cccc(C[C@](C)(Oc2ccc(C(C)C)cc2)/C(O)=N/S(=O)(=O)C(F)(F)F)c1 ZINC000027526699 JK Annotated Mild CCCc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)/C(O)=N/S(=O)(=O)C(F)(F)F)cc1 ZINC000027527289 JK Annotated Mild CCCc1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)/C(O)=N/S(=O)(=O)C(F)(F)F)cc1 ZINC000027527290 JK Annotated Mild Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)c2ccccn2c1C(=O)c1ccccc1 ZINC000027528301 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 ZINC000027547044 JK Annotated Anodyne Cc1ccccc1S(=O)(=O)NC[C@@](C)(Cc1ccc(Cl)cc1)Oc1ccc(C(C)C)cc1 ZINC000027547711 JK Annotated Anodyne Cc1ccccc1S(=O)(=O)NC[C@](C)(Cc1ccc(Cl)cc1)Oc1ccc(C(C)C)cc1 ZINC000027547716 JK Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(NCC4CCCCC4)nc3c2)n1 ZINC000027547753 JK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccccc3Br)sc3ccccc23)CC1 ZINC000027547781 JK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(C#N)cc3Br)sc3ccccc23)CC1 ZINC000027548385 JK Annotated Mild Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(Br)c1 ZINC000027548391 JK Annotated Anodyne CCc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)/C(O)=N/S(=O)(=O)C(F)(F)F)cc1 ZINC000027548407 JK Annotated Mild CCc1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)/C(O)=N/S(=O)(=O)C(F)(F)F)cc1 ZINC000027548409 JK Annotated Mild CC(C)c1ccc(O[C@](C)(/C(O)=N/S(=O)(=O)C(F)(F)F)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000027548935 JK Annotated Mild CC(C)c1ccc(O[C@@](C)(/C(O)=N/S(=O)(=O)C(F)(F)F)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000027548938 JK Annotated Mild CC(C)c1ccc(O[C@@](C)(/C(O)=N/S(=O)(=O)C(F)(F)F)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000027548941 JK Annotated Mild CCC[C@@H](CC)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)O ZINC000027549080 JK Annotated Anodyne CCC[C@H](CC)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)O ZINC000027549083 JK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccc2C)C(c2ccccc2O)C(C(=O)Nc2cc(C)ccc2C)=C(C)N1 ZINC000027550395 JK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3)sc3ccccc23)CC1 ZINC000027552276 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC/C=C(\C)CCCNC1CC1)CC/C=C(\C)CCCNCCCCCCN ZINC000027552432 JK Annotated Anodyne CCCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC ZINC000027554538 JK Annotated Anodyne CCCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC ZINC000027554540 JK Annotated Anodyne CC(C)CCNc1ccc(C(=O)c2ccccc2)c2c1OCC(c1ccccc1)(c1ccccc1)N2 ZINC000027556118 JK Annotated Clean CCCCN(Cc1ccc(-c2ccccc2-n2ncnn2)cc1)c1nc2nc3ccccc3n2s1 ZINC000027557563 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](NC(=O)C=C(C)C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@@H]12 ZINC000027557697 JK Annotated Anodyne CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(C)cc1 ZINC000027558959 JK Annotated Anodyne CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(Cl)cc1 ZINC000027559161 JK Annotated Anodyne O=C(c1ccccc1)c1ccc(NCc2ccccc2)c2c1NC(c1ccccc1)(c1ccccc1)CO2 ZINC000027559238 JK Annotated Clean CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccccc1 ZINC000027560080 JK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000027560128 JK Annotated Mild C(=N/NC1=NCCCCC1)\c1c2ccccc2c(/C=N/NC2=NCCCCC2)c2ccccc12 ZINC000027560199 JK Annotated Mild CC(C)(C)C(=O)c1ccc(COCC2(COCc3ccc(C(=O)C(C)(C)C)cc3)CCCO2)cc1 ZINC000027560652 JK Annotated Anodyne CCOC(=O)c1c(CSc2nccn2C)nc2ccccc2c1-c1ccc(OC)c(OC)c1 ZINC000027560833 JK Annotated Anodyne CCOC(=O)c1c(CSc2nccn2C)nc2ccc(OC)cc2c1-c1ccc(OC)cc1 ZINC000027561035 JK Annotated Anodyne CN(C)c1ccc(-c2cc(-c3ccc(N)cc3)[s+]c(-c3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000027561128 JK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCCC2)[C@]13C(=O)O ZINC000027561267 JK Annotated Mild CC(C)(C)C(=O)c1ccc(COCc2ccc(COCc3ccc(C(=O)C(C)(C)C)cc3)o2)cc1 ZINC000027563519 JK Annotated Anodyne COC1(OC)Cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2C(O)=C1/C=C/C(C)C ZINC000027563615 JK Annotated Anodyne CC(C)(C)C(=O)c1ccc(COCc2cccc(COCc3ccc(C(=O)C(C)(C)C)cc3)n2)cc1 ZINC000027564533 JK Annotated Anodyne CSc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000027564610 JK Annotated Mild CSc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000027564612 JK Annotated Mild COC(=O)CC[C@]1(C)[C@@H](C(=O)OC)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000027627435 JK Annotated Anodyne Nc1ccc(O[C@@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000027629236 JK Annotated Clean Nc1ccc(O[C@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000027629242 JK Annotated Clean O=c1oc(OCCBr)c(Cl)c2ccc(NC(=S)Nc3ccccc3)cc12 ZINC000027630441 JK Annotated Reactive Cc1ccc(Nc2ns/c(=N\C(=S)Nc3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 ZINC000027631079 JK Annotated Anodyne COc1ccc(Nc2ns/c(=N\C(=S)Nc3ccc(Cl)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000027631580 JK Annotated Anodyne N/C(=N\c1nc(-c2c[nH]c3ccc(OCc4ccccc4)cc23)cs1)NCc1ccccc1 ZINC000027631783 JK Annotated Mild O=C(Nc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 ZINC000027632177 JK Annotated Reactive C[C@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1ccccc1 ZINC000027632626 JK Annotated Reactive C[C@@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1ccccc1 ZINC000027633059 JK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(CO)CC[C@]23C)C1(C)C ZINC000027633435 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3C4=C[C@H](OC(C)=O)[C@H](c5ccc(=O)oc5)[C@@]4(C)CC[C@H]32)C1 ZINC000027633802 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=C[C@H](OC(C)=O)[C@@H]4c4ccc(=O)oc4)[C@@H]3CC[C@@H]2C1 ZINC000027633807 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3C4=C[C@H](OC(C)=O)[C@H](c5ccc(=O)oc5)[C@@]4(C)CC[C@H]32)C1 ZINC000027633812 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=C[C@H](OC(C)=O)[C@@H]4c4ccc(=O)oc4)[C@H]3CC[C@@H]2C1 ZINC000027633817 JK Annotated Anodyne Cc1cc2n(c(=O)c1CCN1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)CCC2 ZINC000027633955 JK Annotated Anodyne O=C(CCc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 ZINC000027634665 JK Annotated Reactive c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCCCCC2)cc1 ZINC000027635813 JK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCOCC2)cc1 ZINC000027636369 JK Annotated Bother CCCCCCNc1c(Br)cc2c3c(cccc13)C(=O)N(CCCCCC)C2=O ZINC000027636789 JK Annotated Anodyne CC(C)CC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 ZINC000027637197 JK Annotated Bother OCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027637203 JK Annotated Bother CO/C=C(/C(=O)OC)c1ccc(/C=C/C=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000027637397 JK Annotated Anodyne CO/C=C(/C(=O)OC)c1cccc(/C=C/C=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)c1 ZINC000027637488 JK Annotated Anodyne O=C1Nc2c(ncn2Cc2ccccc2)[C@@](C#CC2CC2)(C(F)(F)F)N1Cc1ccccc1 ZINC000027638541 JK Annotated Mild O=C1Nc2c(ncn2Cc2ccccc2)[C@](C#CC2CC2)(C(F)(F)F)N1Cc1ccccc1 ZINC000027638547 JK Annotated Mild Clc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/CC3CCNCC3)cc-1n2-c1ccccc1 ZINC000027638713 JK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CC2CCCCC2)cc1 ZINC000027639315 JK Annotated Bother NCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639913 JK Annotated Bother CCOc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(OCC)cc4)c-3c/c2=N\CCO)cc1 ZINC000027640767 JK Annotated Bother CC1CCN(CC[C@@H](C)[C@@H](C)S(=O)(=O)c2ccc(Br)c(Br)c2)CC1 ZINC000027641230 JK Annotated Anodyne CC1CCN(CC[C@@H](C)[C@H](C)S(=O)(=O)c2ccc(Br)c(Br)c2)CC1 ZINC000027641237 JK Annotated Anodyne COC(C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1)OC ZINC000027642348 JK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCCC2)cc1 ZINC000027642405 JK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCCC2)cc1 ZINC000027642874 JK Annotated Bother CC1CCC(/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)CC1 ZINC000027643628 JK Annotated Bother O=C(CC(CC(=O)c1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1 ZINC000027643852 JK Annotated Anodyne OCCNCC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 ZINC000027644112 JK Annotated Bother CCN(CC)CC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 ZINC000027644419 JK Annotated Bother CCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027646152 JK Annotated Bother C=C1CC(=O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000027646201 JK Annotated Mild CC(C)C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027648888 JK Annotated Bother CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027648893 JK Annotated Bother Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CC2CCNCC2)cc1 ZINC000027649079 JK Annotated Bother OCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027649357 JK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCCN2CCOCC2)cc1 ZINC000027649748 JK Annotated Bother Clc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/C3CCCCC3)cc-1n2-c1ccccc1 ZINC000027650426 JK Annotated Bother CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027650814 JK Annotated Bother CC(C)C/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 ZINC000027650923 JK Annotated Bother CCCC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 ZINC000027650927 JK Annotated Bother CCN(CC)CC/N=c1\cc2n(-c3ccc(C)cc3)c3ccccc3nc-2cc1Nc1ccc(C)cc1 ZINC000027651284 JK Annotated Bother Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\C2CCCCC2)cc1 ZINC000027651288 JK Annotated Bother CCN(CC)CC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027651955 JK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CC2CCNCC2)cc1 ZINC000027652359 JK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCCCC2)cc1 ZINC000027652462 JK Annotated Bother CCN1CCC[C@@H](/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1 ZINC000027652481 JK Annotated Bother CCN1CCC[C@H](/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1 ZINC000027652485 JK Annotated Bother CCN1CCC[C@@H]1C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027653104 JK Annotated Bother CCN1CCC[C@H]1C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027653107 JK Annotated Bother CC(C)(C)c1cc(I)c2c(c1)CNC1(CCCCCCCCCCC1)O2 ZINC000027654596 JK Annotated Anodyne CCN(CC)CCCCCCNc1cc(OC)cc2c(C)cc(CCBr)nc12 ZINC000027656948 JK Annotated Reactive O=C1C[C@H](O)C[C@@H](/C=C/c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C2CCCCC2)O1 ZINC000027656997 JK Annotated Anodyne O=C1C[C@H](O)C[C@H](/C=C/c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C2CCCCC2)O1 ZINC000027656999 JK Annotated Anodyne CC(C)c1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027657352 JK Annotated Anodyne CC(C)c1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027657354 JK Annotated Anodyne COc1ccc(C#Cc2ccc(C#N)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027657566 JK Annotated Mild COc1ccc(C#Cc2ccc(C#N)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027657568 JK Annotated Mild COc1ccc(C#Cc2ccc(N(C)C)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027704535 JK Annotated Mild COc1ccc(C#Cc2ccc(N(C)C)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027704539 JK Annotated Mild COc1ccc(C#Cc2ccc(SC)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027704544 JK Annotated Mild COc1ccc(C#Cc2ccc(SC)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027704549 JK Annotated Mild COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2ccccc23)c(OC)c1 ZINC000027707845 JK Annotated Anodyne CCCCN(CCCC)CCCNC(=O)CCCCC1=C(C)C(=O)c2cccc(O)c2C1=O ZINC000027716597 JK Annotated Mild COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3cc(OC)ccc3OC)c3c2oc2ccccc23)cc1 ZINC000027717947 JK Annotated Anodyne COc1ccc(C#Cc2ccc(F)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027719118 JK Annotated Mild COc1ccc(C#Cc2ccc(F)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027719123 JK Annotated Mild CCN(CC)CCCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000027720499 JK Annotated Bother COc1cc(CCN(C)[C@H](C)CCc2cc(OC)ccc2C#Cc2ccccc2)cc(OC)c1 ZINC000027720725 JK Annotated Mild COc1cc(CCN(C)[C@@H](C)CCc2cc(OC)ccc2C#Cc2ccccc2)cc(OC)c1 ZINC000027720731 JK Annotated Mild CC1=NC(C)=C(C(=O)OC(C)C)[C@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)/C1=C(\O)OC(C)C ZINC000027721615 JK Annotated Anodyne CCCCN(CCc1ccc(OC)c(OC)c1)[C@@H](C)Cc1cc(OC)ccc1C#Cc1ccccc1 ZINC000027723064 JK Annotated Mild CCCCN(CCc1ccc(OC)c(OC)c1)[C@H](C)Cc1cc(OC)ccc1C#Cc1ccccc1 ZINC000027723071 JK Annotated Mild CC1=NC(C)=C(C(=O)OCC(C)C)[C@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)/C1=C(\O)OCC(C)C ZINC000027723641 JK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@H](C2=CCN(C(=O)OC(C)(C)C)C=C2)/C1=C(\O)OCC(C)C ZINC000027724541 JK Annotated Anodyne COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)N(C)CCc2cccc(Cl)c2Cl)c1 ZINC000027725323 JK Annotated Mild COc1ccc(C#Cc2ccccc2)c(C[C@H](C)N(C)CCc2cccc(Cl)c2Cl)c1 ZINC000027725329 JK Annotated Mild CC1=NC(C)=C(C(=O)OC(C)C)[C@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)/C1=C(\O)OC(C)C ZINC000027729293 JK Annotated Anodyne COc1ccc(C#Cc2ccc(C(C)C)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027730462 JK Annotated Mild COc1ccc(C#Cc2ccc(C(C)C)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027730468 JK Annotated Mild COc1ccc(C#Cc2ccc(Cl)cc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027732084 JK Annotated Mild COc1ccc(C#Cc2ccc(Cl)cc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027732089 JK Annotated Mild CS[C@@H]1Nc2ccc(N(C)Cc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)c3cccc1c23 ZINC000027738392 JK Annotated Anodyne CS[C@H]1Nc2ccc(N(C)Cc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)c3cccc1c23 ZINC000027738399 JK Annotated Anodyne O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 ZINC000027740207 JK Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2)cc1 ZINC000027740213 JK Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 ZINC000027740222 JK Annotated Anodyne O=C(O)CC/C=C\CO[C@H]1[C@@H](N2CCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2)cc1 ZINC000027740229 JK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cccc35)CC[C@@H]4c3ccccc3)CC2)c1 ZINC000027741817 JK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3ccc(I)cc3)c2cc1Cl ZINC000027747169 JK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751426 JK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751436 JK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751445 JK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751453 JK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3cccc(I)c3)c2cc1Cl ZINC000027752935 JK Annotated Anodyne COC(=O)[C@H](CSCc1ccccc1)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000027753556 JK Annotated Anodyne COC(=O)[C@H](CSCc1ccccc1)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000027753564 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000027757130 JK Annotated Bother Clc1ccc2scc(Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)c2c1 ZINC000027757138 JK Annotated Anodyne N=C(N)SCCCn1c(-c2ccc(-c3ccccc3)cc2)c(C2=CC(=O)NC2=O)c2ccccc21 ZINC000027757579 JK Annotated Anodyne O[C@@H](CCCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccc(F)cc1 ZINC000027759189 JK Annotated Anodyne O[C@H](CCCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccc(F)cc1 ZINC000027759197 JK Annotated Anodyne O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 ZINC000027759294 JK Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2)cc1 ZINC000027759304 JK Annotated Anodyne COc1ccncc1/C=C/c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000027760701 JK Annotated Anodyne CC(C)(Cc1ccc(F)cc1C#N)[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000027761164 JK Annotated Mild CC(C)(Cc1ccc(F)cc1C#N)[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000027761174 JK Annotated Mild CC(C)(Cc1ccc(F)cc1C#N)[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000027761180 JK Annotated Mild CCOC(=O)Cn1nc(CC)c(CCCCCCOc2ccc(OC)cc2Cl)c1CC ZINC000027761297 JK Annotated Anodyne C[C@@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)O)C1=O ZINC000027761549 JK Annotated Anodyne C[C@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)O)C1=O ZINC000027761556 JK Annotated Anodyne C[C@@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)O)C1=O ZINC000027761564 JK Annotated Anodyne C[C@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)O)C1=O ZINC000027761570 JK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2Cl)cc1-c1ccccc1C)C(=O)O ZINC000027762809 JK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncs2)cc1-c1ccccc1C)C(=O)O ZINC000027765796 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 ZINC000027766941 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 ZINC000027766948 JK Annotated Anodyne FC(F)(F)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c(C(F)(F)F)c1 ZINC000027767475 JK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncc3ccccc23)cc1-c1ccccc1C)C(=O)O ZINC000027767593 JK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCC(=O)N2CCSCC2)(c2ccccc2)CC1=O ZINC000027768030 JK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCC(=O)N2CCSCC2)(c2ccccc2)CC1=O ZINC000027768037 JK Annotated Mild COC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@H](C)S[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000027843074 JK Annotated Anodyne COC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H](C)S[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000027843084 JK Annotated Anodyne COC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@H](C)S[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000027843093 JK Annotated Anodyne COC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@H](C)S[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000027843103 JK Annotated Anodyne Fc1c(F)c(F)c(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c(F)c1F ZINC000027843126 JK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)[C@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846202 JK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)[C@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846210 JK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846217 JK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)[C@@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846225 JK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(=O)N2CCOCC2)(c2ccccc2)CC1=O ZINC000027846372 JK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(=O)N2CCOCC2)(c2ccccc2)CC1=O ZINC000027846381 JK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(=O)N2CCNCC2)(c2ccccc2)CC1=O ZINC000027855790 JK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(=O)N2CCNCC2)(c2ccccc2)CC1=O ZINC000027855796 JK Annotated Mild CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 ZINC000027859340 JK Annotated Anodyne C=C(CN1CCOCC1)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O ZINC000027865522 JK Annotated Mild C=C(CN1CCOCC1)[C@@H]1CCC(C)=C[C@@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O ZINC000027865529 JK Annotated Mild C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2CCCCC2)CCCCC1 ZINC000027866328 JK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000027868212 JK Annotated Bother CN(CCCc1ccccc1)CCCN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000027868327 JK Annotated Anodyne C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCCC12CC3CC(CC(C3)C1)C2 ZINC000027870386 JK Annotated Bother COc1cc(Cc2c(-c3ccc(CCN)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1 ZINC000027870426 JK Annotated Anodyne C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2CCCCC2)CCOCC1 ZINC000027874128 JK Annotated Bother C=C(CN(C(C)C)C(C)C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O ZINC000027874317 JK Annotated Mild C=C(CN(C(C)C)C(C)C)[C@@H]1CCC(C)=C[C@@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O ZINC000027874320 JK Annotated Mild C#CCN(C)CC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O ZINC000027876131 JK Annotated Mild C#CCN(C)CC(=C)[C@@H]1CCC(C)=C[C@@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O ZINC000027876137 JK Annotated Mild CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@@H](CC=C(C)C)OC(C)=O)OC1 ZINC000027882472 JK Annotated Anodyne CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@@H](CC=C(C)C)OC(C)=O)OC1 ZINC000027882479 JK Annotated Anodyne CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@H](CC=C(C)C)OC(C)=O)OC1 ZINC000027882486 JK Annotated Anodyne CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@H](CC=C(C)C)OC(C)=O)OC1 ZINC000027882493 JK Annotated Anodyne CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Sc3cccc(C(=O)O)c3)nc(N)c12 ZINC000027882667 JK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(CCNc4ccc(F)cc4)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000027882717 JK Annotated Anodyne CCOC(=O)c1ccc(C#C[C@@]2(O)CC[C@H]3[C@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@H]34)C2)cc1 ZINC000027886213 JK Annotated Anodyne CC(=C\C(=O)O)/C(=C/CCc1ccc(C23CC4CC(CC(C4)C2)C3)c(O)c1)c1cccc(C(=O)O)c1 ZINC000027888412 JK Annotated Anodyne CC[C@@]12C=C(C(=O)OCCCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027888844 JK Annotated Anodyne CCNc1nc(Sc2cccc(C(=O)O)c2)nc2c1c(CC)nn2-c1cc(Cl)cc(Cl)c1 ZINC000027891425 JK Annotated Anodyne CCCCN1C(c2ccc(O)cc2)N(CCCC)[C@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000027894594 JK Annotated Anodyne CCCCN1C(c2ccc(O)cc2)N(CCCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 ZINC000027894599 JK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)CCc1ccccc1 ZINC000027895085 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)Cc1ccccc1 ZINC000027897451 JK Annotated Mild CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1N1CCCCCCC1 ZINC000027899515 JK Annotated Anodyne CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1N1CCCCCC1 ZINC000027899648 JK Annotated Anodyne CC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000027900327 JK Annotated Anodyne CC[C@@]12C=C(C(=O)OCCCCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027901576 JK Annotated Anodyne O=C(CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O)c1ccc(-c2ccccc2)cc1 ZINC000027904013 JK Annotated Mild Nc1ccccc1NC(=O)/C=C/c1ccc(NS(=O)(=O)c2cccc3oc4ccccc4c23)cc1 ZINC000027978207 JK Annotated Anodyne CCOC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027979980 JK Annotated Reactive COC(=O)CC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027980468 JK Annotated Reactive CCCC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027980539 JK Annotated Reactive COC1=C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O[C@@](CCc2ccc(O)cc2)(C(C)C)C1 ZINC000027983129 JK Annotated Anodyne COC1=C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O[C@](CCc2ccc(O)cc2)(C(C)C)C1 ZINC000027983135 JK Annotated Anodyne CC(C)C(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027984588 JK Annotated Reactive C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@@H](Cl)c1ccccc1 ZINC000027984660 JK Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@@H](Cl)c1ccccc1 ZINC000027984666 JK Annotated Anodyne N#Cc1ccc(C(F)(F)F)cc1/N=N/N(C(=O)CCl)c1cc(C(F)(F)F)ccc1C#N ZINC000027986534 JK Annotated Reactive Cc1ccccc1C[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000027986828 JK Annotated Anodyne CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCCC1 ZINC000027987528 JK Annotated Anodyne CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(CC)(CC)C(=O)O)c(Cl)c1Cl)C2 ZINC000027988026 JK Annotated Mild CCC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(CC)(CC)C(=O)O)c(Cl)c1Cl)C2 ZINC000027988032 JK Annotated Mild CCOC(=O)NC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027988377 JK Annotated Reactive CC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000027989631 JK Annotated Anodyne CCCNC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027989737 JK Annotated Reactive CCCCC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027990295 JK Annotated Reactive Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1O ZINC000027991645 JK Annotated Mild CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccccc1 ZINC000027993621 JK Annotated Anodyne CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccccc1 ZINC000027993626 JK Annotated Anodyne COc1ccc(OCCCCN(C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000027995892 JK Annotated Anodyne COc1ccc(OCCCCN(C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000027995897 JK Annotated Anodyne COc1ccc(OC)c(CCN/C(=N/c2ccc(Br)cn2)SCc2ccccc2)c1 ZINC000027996072 JK Annotated Mild N#Cc1ccc(C(F)(F)F)cc1/N=N\N(C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1C#N ZINC000027997329 JK Annotated Reactive CCC(C)(C)C[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000027998501 JK Annotated Mild CCC(C)(C)C[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000027998506 JK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003644 JK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCN[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003649 JK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003654 JK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCN[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003659 JK Annotated Anodyne Clc1ccccc1CCN/C(=N/c1ccc(Br)cn1)SCc1ccccc1 ZINC000028004154 JK Annotated Mild CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(C2CCCCC2)c1O ZINC000028004725 JK Annotated Clean CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028005780 JK Annotated Anodyne Cc1cccc2c(Nc3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)c3ccccc3nc12 ZINC000028005889 JK Annotated Clean CN(C)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028006327 JK Annotated Clean [N-]=[N+]=Nc1ccc(CCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1I ZINC000028006364 JK Annotated Mild [N-]=[N+]=Nc1ccc(CCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1I ZINC000028006368 JK Annotated Mild [N-]=[N+]=Nc1ccc(CCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1I ZINC000028006371 JK Annotated Mild [N-]=[N+]=Nc1ccc(CCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1I ZINC000028006374 JK Annotated Mild CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2Cl)c1O ZINC000028006899 JK Annotated Clean CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCCCC(F)(F)F)[C@]13C(=O)O ZINC000028007048 JK Annotated Mild COc1ccc(OCCCN(C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007366 JK Annotated Anodyne COc1ccc(OCCCN(C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007370 JK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028007470 JK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2cccc(F)c2)c1O ZINC000028007993 JK Annotated Clean CC(=O)N1c2ccccc2S[C@H]1c1cc([N+](=O)[O-])ccc1OCCCCN(C)C1CCCCC1 ZINC000028008085 JK Annotated Bother CC(=O)N1c2ccccc2S[C@@H]1c1cc([N+](=O)[O-])ccc1OCCCCN(C)C1CCCCC1 ZINC000028008088 JK Annotated Bother CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCc2ccccc2Cl)[C@]13C(=O)O ZINC000028009068 JK Annotated Mild CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(CN(CC)CC)c1O ZINC000028009450 JK Annotated Clean Cc1cc(C)c(CCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000028009454 JK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](C4CCCCC4)C2)[C@]13C(=O)O ZINC000028009739 JK Annotated Mild CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2F)c1O ZINC000028010166 JK Annotated Clean CC(C)(C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028011270 JK Annotated Clean Cc1ccc(/C=C/c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000028011366 JK Annotated Anodyne COc1cccc([C@@H]2Sc3ccccc3N2C(C)=O)c1OCCCCN(C)C1CCCCC1 ZINC000028011376 JK Annotated Anodyne COc1cccc([C@H]2Sc3ccccc3N2C(C)=O)c1OCCCCN(C)C1CCCCC1 ZINC000028011379 JK Annotated Anodyne COc1ccc(OCCCCCCN(C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012539 JK Annotated Anodyne COc1ccc(OCCCCCCN(C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012544 JK Annotated Anodyne CC[C@@H](C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028014449 JK Annotated Clean CC[C@H](C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028014454 JK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2cccc3ccccc23)c1O ZINC000028014478 JK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(C)cc2)c1O ZINC000028015070 JK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(OC)cc2)c1O ZINC000028015176 JK Annotated Clean Cc1cc(C)c(/C=C/c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000028015962 JK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(Cc2ccccc2)c1O ZINC000028016061 JK Annotated Clean COc1ccc(OCCCCCN(C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028016169 JK Annotated Anodyne COc1ccc(OCCCCCN(C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028016176 JK Annotated Anodyne COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1OC ZINC000028017215 JK Annotated Anodyne COc1ccc(OCCCCCN(C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C=O)c1 ZINC000028017700 JK Annotated Anodyne COc1ccc(OCCCCCN(C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C=O)c1 ZINC000028017704 JK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2OC)c1O ZINC000028018355 JK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(SC)cc2)c1O ZINC000028019074 JK Annotated Clean CCC(=O)N1c2ccccc2S[C@@H]1c1cc(OC)ccc1OCCCCCN(C)C1CCCCC1 ZINC000028019246 JK Annotated Anodyne CCC(=O)N1c2ccccc2S[C@H]1c1cc(OC)ccc1OCCCCCN(C)C1CCCCC1 ZINC000028019250 JK Annotated Anodyne Cc1ccc(CCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000028019258 JK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(F)cc2)c1O ZINC000028019545 JK Annotated Clean Cc1cc(C)c(OCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000028019997 JK Annotated Anodyne CCCCCCN(CCCCCC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 ZINC000028020222 JK Annotated Anodyne CC(=O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000028020953 JK Annotated Anodyne CC(=O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000028020958 JK Annotated Anodyne CC(=O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000028020964 JK Annotated Anodyne CC(=O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000028020968 JK Annotated Anodyne CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028085979 JK Annotated Anodyne CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028089587 JK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3C=C[C@@H](O/C=C/C(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000028091226 JK Annotated Mild CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2cccc(Cl)c2)c1O ZINC000028091544 JK Annotated Clean Brc1ccc(-c2[nH]c3cccc(-c4ccccc4)c3c2CCCN2CCCC2)cc1 ZINC000028093765 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c(Cl)c1Cl ZINC000028093775 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c(Cl)c1Cl ZINC000028093786 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCCC(=O)O)c(Cl)c1Cl ZINC000028094344 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCCCC(=O)O)c(Cl)c1Cl ZINC000028094349 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCCCC(=O)O)c(Cl)c1Cl ZINC000028094353 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCCCC(=O)O)c(Cl)c1Cl ZINC000028094358 JK Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]1(C)O)CO ZINC000028094513 JK Annotated Anodyne C/C(=C\c1ccc(C(=O)OCCCCc2c[nH]c(=S)[nH]c2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000028095771 JK Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(Cc2ccccc2)Cc2ccccc2)c1Cc1cc(C)cc(C)c1 ZINC000028096467 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCC(=O)O)c(Cl)c1Cl ZINC000028097413 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCCC(=O)O)c(Cl)c1Cl ZINC000028097424 JK Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCc2cccs2)CC1 ZINC000028101490 JK Annotated Anodyne O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2ccncc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104204 JK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2ccncc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104210 JK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cc2ccccc2c2ccccc12 ZINC000028106925 JK Annotated Bother C=C(C(=O)N1C[C@@H]2[C@](C(=O)OC)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21)c1ccccc1OC ZINC000028108423 JK Annotated Anodyne COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1OC ZINC000028108708 JK Annotated Anodyne O=C1c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2CN1CCCOCc1ccccc1)OCO4 ZINC000028111458 JK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)c(C(C)C)c1 ZINC000028111613 JK Annotated Mild O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112950 JK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112956 JK Annotated Anodyne CCC(CC)n1cc2c3c(nc(C)nc31)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028117960 JK Annotated Anodyne O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118362 JK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118369 JK Annotated Anodyne CCCC(CCC)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)nc1c32 ZINC000028119042 JK Annotated Anodyne CCCC(CCC)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)nc1c32 ZINC000028119049 JK Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCCCC3)ccc1C2)c1ccc(Cl)s1 ZINC000028120538 JK Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCCCC3)ccc1C2)c1ccc(Cl)s1 ZINC000028120543 JK Annotated Anodyne CCCC(CCC)N1C[C@@H]2CCN(c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)nc1c32 ZINC000028122551 JK Annotated Anodyne CCCC(CCC)N1C[C@H]2CCN(c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)nc1c32 ZINC000028122558 JK Annotated Anodyne N#Cc1c(N2CCc3ccccc3C2)cc(-c2cccc3ccccc23)c2c1-c1ccccc1CC2 ZINC000028124537 JK Annotated Mild CC1(C)c2oncc2C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000028126324 JK Annotated Anodyne CC1(C)c2oncc2C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000028126332 JK Annotated Anodyne CC1(C)c2oncc2C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000028126339 JK Annotated Anodyne CC1(C)c2oncc2C[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000028126346 JK Annotated Anodyne CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000028127884 JK Annotated Anodyne CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000028127898 JK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000028128029 JK Annotated Anodyne CC1(C)C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000028129012 JK Annotated Anodyne CC1(C)C(=O)C=C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000028129025 JK Annotated Anodyne CCN(CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1)CC1CCCCC1 ZINC000028130036 JK Annotated Anodyne N#Cc1c(N2CCc3ccccc3C2)cc(-c2cccc3ccccc23)c2c1-c1ccccc1SC2 ZINC000028130779 JK Annotated Mild CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Cl ZINC000028131723 JK Annotated Anodyne CC(C)[C@@H]1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O ZINC000028132600 JK Annotated Anodyne CC(C)[C@H]1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O ZINC000028132605 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H]3CO)c2)cc1C(F)(F)F ZINC000028133314 JK Annotated Anodyne OC1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028134574 JK Annotated Anodyne CCN(CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1)CCC1CCCCC1 ZINC000028135012 JK Annotated Anodyne CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N ZINC000028135987 JK Annotated Mild C[C@H](c1ccc(Cl)cc1)N(C(=O)/C=C/c1ccccc1)[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC000028137047 JK Annotated Anodyne N#Cc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2F)nc1OCc1ccc(F)c(F)c1 ZINC000028137768 JK Annotated Mild O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1cnc2ccccc2c1)C(Cl)(Cl)Cl ZINC000028137801 JK Annotated Anodyne O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1cnc2ccccc2c1)C(Cl)(Cl)Cl ZINC000028137806 JK Annotated Anodyne N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)cc1 ZINC000028137976 JK Annotated Mild Cc1nn(-c2ccccc2)c2ncc3c(OCCCCC(=O)O)c(-c4ccc(Cl)cc4)sc3c12 ZINC000028220628 JK Annotated Anodyne COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)c2c(O)c(C(=O)O)cc3ccccc23)cc1 ZINC000028222018 JK Annotated Anodyne COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2c(O)c(C(=O)O)cc3ccccc23)cc1 ZINC000028222022 JK Annotated Anodyne CC(=O)Nc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(O)c2=O)cc1 ZINC000028222182 JK Annotated Anodyne Cc1cnc(C(=O)OCC(C)(C)CCCCOc2ccc(CCCCc3ccccc3)cc2)c[n+]1[O-] ZINC000028222581 JK Annotated Anodyne COC(=O)c1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(O)c2=O)cc1 ZINC000028223801 JK Annotated Anodyne CC(C)c1ccc([C@H](c2ccc([N+](C)(C)C)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028225313 JK Annotated Bother Clc1cc2nc(C3CCNCC3)n(CCCCSc3ncnc4nc[nH]c34)c2cc1Cl ZINC000028228733 JK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(CCCCCn3cnc4ccccc43)c2cc1Cl ZINC000028229157 JK Annotated Anodyne CCC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2[C@H]1O ZINC000028229870 JK Annotated Anodyne CCC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1=O ZINC000028229968 JK Annotated Anodyne CCC[C@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1=O ZINC000028229972 JK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(CCCCCN3Cc4ccccc4C3)c2cc1Cl ZINC000028230454 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028230458 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028230622 JK Annotated Anodyne O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC(F)(F)F ZINC000028235141 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028235294 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028235479 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028236861 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000028237447 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000028237452 JK Annotated Anodyne CC(C)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 ZINC000028240156 JK Annotated Anodyne CC(C)CCN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 ZINC000028240163 JK Annotated Anodyne CNc1cc(C(C)C)ccc([C@@H](c2ccc(OC)cc2)c2ccc(C(C)C)cc(=O)c2O)c1=O ZINC000028244636 JK Annotated Anodyne CNc1cc(C(C)C)ccc([C@H](c2ccc(OC)cc2)c2ccc(C(C)C)cc(=O)c2O)c1=O ZINC000028244642 JK Annotated Anodyne COc1ccc(C(c2ccc(C(C)C)cc(S)c2=O)c2ccc(C(C)C)cc(S)c2=O)cc1 ZINC000028244648 JK Annotated Anodyne COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(OC)c2=O)cc1 ZINC000028244658 JK Annotated Anodyne COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(OC)c2=O)cc1 ZINC000028244664 JK Annotated Anodyne Cn1c(-c2cccnc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000028245307 JK Annotated Anodyne C/N=c1\cc(C(C)C)ccc([C@H](c2ccc(OC)cc2)c2ccc(C(C)C)cc(NC)c2=O)c1O ZINC000028247109 JK Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(CSc3cc(F)cc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000028249932 JK Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(CSc3cc(F)cc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000028249939 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1 ZINC000028253759 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1 ZINC000028253765 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000028255438 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000028255443 JK Annotated Mild CCNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)cc3)n2)ccc1OC ZINC000028255701 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000028255873 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000028255880 JK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccccc3)n2)ccc1OC ZINC000028256225 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028256462 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028256467 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000028257432 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C1 ZINC000028257438 JK Annotated Mild COc1ccc([C@@H]2[C@@H](CCOc3ccc(I)cc3)C(=O)N2c2ccccc2)cc1 ZINC000028260240 JK Annotated Anodyne c1ccc(C(=N/Nc2ccc(C3CCCCC3)cc2)/N=N/c2nnnn2-c2ccccc2)cc1 ZINC000028262030 JK Annotated Mild COC(=O)c1c[nH]c(=S)n1C(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000028330688 JK Annotated Anodyne Cc1c(SC2CCCCC2)n(COCN(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000028331040 JK Annotated Anodyne COc1ccccc1CCNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028334289 JK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1cccc2ccccc12 ZINC000028335311 JK Annotated Anodyne C[C@@]1(C2CCCC2)Cc2cc(OCc3cccc(-c4nnn[nH]4)c3)c(Cl)c(Cl)c2C1=O ZINC000028335380 JK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCc3cccc(-c4nnn[nH]4)c3)c(Cl)c(Cl)c2C1=O ZINC000028335388 JK Annotated Anodyne O=C(O)C[C@H](c1cnc[nH]1)N(CCCCc1ccccc1)Cc1ccc(Oc2ccccc2)cc1 ZINC000028335607 JK Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CCCCc1ccccc1)Cc1ccc(Oc2ccccc2)cc1 ZINC000028335616 JK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)C2CCCCC2)s1 ZINC000028335981 JK Annotated Anodyne COc1ccccc1Oc1ccc(C(=O)N(c2ncc(C(=O)O)s2)C2CCCCC2)cc1 ZINC000028336085 JK Annotated Anodyne CCCC[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028336479 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(CO)CC3)c2)cc1C(F)(F)F ZINC000028336632 JK Annotated Anodyne CCN1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028336638 JK Annotated Anodyne O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000028336690 JK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](I)[C@@H]1CCC(=O)O1 ZINC000028337142 JK Annotated Reactive CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](I)[C@@H]1CCC(=O)O1 ZINC000028337150 JK Annotated Reactive CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](I)[C@H]1CCC(=O)O1 ZINC000028337156 JK Annotated Reactive CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](I)[C@H]1CCC(=O)O1 ZINC000028337163 JK Annotated Reactive CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(Cc1ccccc1)c1ccccc1 ZINC000028337204 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H]3CO)ncn2)cc1C(F)(F)F ZINC000028337567 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@H]3CO)ncn2)cc1C(F)(F)F ZINC000028337575 JK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1cc2ccccc2o1 ZINC000028337739 JK Annotated Mild C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1cc2ccccc2o1 ZINC000028337746 JK Annotated Mild CCCC[C@@H](O)c1c(C/C=C/CO)cc2c(OC)c(OC)cc(OCc3ccccc3)c2c1OC ZINC000028337824 JK Annotated Anodyne CCCC[C@H](O)c1c(C/C=C/CO)cc2c(OC)c(OC)cc(OCc3ccccc3)c2c1OC ZINC000028337831 JK Annotated Anodyne CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(Cl)cc1Cl ZINC000028338607 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2csc(N3CCCCC3)n2)cc1C(F)(F)F ZINC000028338858 JK Annotated Anodyne N#Cc1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1 ZINC000028339250 JK Annotated Mild Clc1ccc(Cc2nc(Cc3ccc(Cl)cc3)nc(Cc3cccc(Cl)c3)n2)cc1 ZINC000028339544 JK Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)O)C[C@@](CC(C)C)(C(=O)O)N2C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000028339810 JK Annotated Anodyne O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1 ZINC000028341298 JK Annotated Anodyne Cc1c(OCc2cccc(CSc3ccncc3)c2)cc2c(c1C)C(=O)[C@@H](C1CCCC1)C2 ZINC000028343986 JK Annotated Anodyne Cc1c(OCc2cccc(CSc3ccncc3)c2)cc2c(c1C)C(=O)[C@H](C1CCCC1)C2 ZINC000028343993 JK Annotated Anodyne N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCc1ccc(F)c(F)c1 ZINC000028344260 JK Annotated Mild CC(=O)NC(=O)c1ccc(COc2cc3c(c(Cl)c2Cl)C(=O)[C@](C)(C2CCCC2)C3)cc1 ZINC000028344623 JK Annotated Anodyne CC(=O)NC(=O)c1ccc(COc2cc3c(c(Cl)c2Cl)C(=O)[C@@](C)(C2CCCC2)C3)cc1 ZINC000028344626 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCCC(C)(C)C3)c2)cc1C(F)(F)F ZINC000028344655 JK Annotated Anodyne CC1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028344682 JK Annotated Anodyne O=C1c2c(cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c2Cl)C[C@@H]1C1CCCC1 ZINC000028344778 JK Annotated Anodyne O=C1c2c(cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c2Cl)C[C@H]1C1CCCC1 ZINC000028344785 JK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccc(Cl)cc2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028345082 JK Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CC(c1ccccc1)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000028345255 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(O)CC3)ncn2)cc1C(F)(F)F ZINC000028347288 JK Annotated Anodyne COc1ccccc1Sc1ccc(-c2ccnc(N3CCC(CO)CC3)c2)cc1C(F)(F)F ZINC000028347426 JK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C2CCCCC2)s1 ZINC000028347939 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CC[C@@H](O)C3)ncn2)cc1C(F)(F)F ZINC000028347976 JK Annotated Anodyne COCCCNc1nc(-c2ccc(Sc3ccccc3C(C)C)c(C(F)(F)F)c2)cs1 ZINC000028348165 JK Annotated Anodyne CCCC1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028348340 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCCCC3)c2)cc1C(F)(F)F ZINC000028348363 JK Annotated Anodyne O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccccc2)cc1 ZINC000028348670 JK Annotated Anodyne CC(C)(C)C1CCC(N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC1 ZINC000028348802 JK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)C2CCCCC2)s1 ZINC000028348905 JK Annotated Anodyne Cc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028350155 JK Annotated Anodyne N#Cc1ccccc1-c1cccc(CO[C@H]2C[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)N3C2)c1 ZINC000028350379 JK Annotated Mild CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(/C=C/C(=O)O)cc3C(F)(F)F)cc12 ZINC000028351145 JK Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4Cl)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028351248 JK Annotated Anodyne CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Br ZINC000028351460 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCN(C=O)CC3)c2)cc1C(F)(F)F ZINC000028351474 JK Annotated Anodyne COc1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@@H]3CO)c2)cc1C(F)(F)F ZINC000028351880 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H]3C(=O)O)c2)cc1C(F)(F)F ZINC000028352137 JK Annotated Anodyne O[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)C1 ZINC000028352158 JK Annotated Anodyne COc1ccc(Oc2ccc(C(=O)N(c3ncc(C(=O)O)s3)C3CCCCC3)cc2)cc1OC ZINC000028352197 JK Annotated Anodyne COc1ccccc1Sc1ccc(-c2ccnc(N3CCC(CCO)CC3)c2)cc1C(F)(F)F ZINC000028352230 JK Annotated Anodyne CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)co2)CC1 ZINC000028352263 JK Annotated Anodyne C[C@@H]1C[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC(C)(C)C1 ZINC000028352358 JK Annotated Anodyne C[C@@H]1C[C@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC(C)(C)C1 ZINC000028352365 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCCCCC3)c2)cc1C(F)(F)F ZINC000028352394 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3C[C@@H](C)O[C@H](C)C3)ncn2)cc1C(F)(F)F ZINC000028352406 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3C[C@H](C)O[C@H](C)C3)ncn2)cc1C(F)(F)F ZINC000028352412 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3C[C@H](C)O[C@@H](C)C3)ncn2)cc1C(F)(F)F ZINC000028352422 JK Annotated Anodyne CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028352427 JK Annotated Anodyne CC(C)COC(=O)N[C@@]1(C(=O)Nc2ccc(N(CC(C)C)CC(C)C)cc2)CCc2ccccc2C1 ZINC000028355450 JK Annotated Anodyne CC(C)COC(=O)N[C@]1(C(=O)Nc2ccc(N(CC(C)C)CC(C)C)cc2)CCc2ccccc2C1 ZINC000028355455 JK Annotated Anodyne OC[C@H]1CCCN1c1cc(-c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)ccn1 ZINC000028357033 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(O)CC3)c2)cc1C(F)(F)F ZINC000028357159 JK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(OCc3ccccc3F)cc2)C2CCCCC2)s1 ZINC000028357682 JK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C2CCCCC2)s1 ZINC000028357802 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCN(C)CC3)c2)cc1C(F)(F)F ZINC000028357835 JK Annotated Anodyne COc1cccc(Oc2ccc(C(=O)N(c3ncc(C(=O)O)s3)C3CCCCC3)cc2)c1 ZINC000028357901 JK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(OCc3ccc(F)cc3)cc2)C2CCCCC2)s1 ZINC000028357967 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CC[C@@H](O)C3)c2)cc1C(F)(F)F ZINC000028358062 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CC[C@H](O)C3)c2)cc1C(F)(F)F ZINC000028358069 JK Annotated Anodyne CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3ncc(C(F)(F)F)cc3Cl)c(C)nn12 ZINC000028360582 JK Annotated Anodyne COc1ccc(-c2c(SC)nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2N)cc1OC ZINC000028361380 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1C(F)(F)F ZINC000028361406 JK Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCCO)cc1 ZINC000028361455 JK Annotated Anodyne CSc1ccccc1-c1c(SC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N ZINC000028362081 JK Annotated Anodyne N#Cc1ccc(-c2cccc(CN[C@H]3C[C@H]4C(=O)N(c5cc(Cl)cc(Cl)c5)C(=O)N4C3)c2)cc1 ZINC000028364801 JK Annotated Mild Clc1ccc(CNc2nc(NCc3ccc(Cl)cc3)nc(NCc3ccc(Cl)cc3)n2)cc1 ZINC000028364943 JK Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]2[C@@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028366808 JK Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028366814 JK Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]2[C@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028366820 JK Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028366826 JK Annotated Anodyne CC(C)(C)c1ccc(-c2ccc(OCc3ccccc3)c(/C=C3\SC(=S)N=C3O)c2)cc1 ZINC000028367093 JK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2Cl)ccc1OCc1ccccc1 ZINC000028367522 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)C)cc1 ZINC000028367617 JK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000028369002 JK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000028369009 JK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000028369015 JK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)[C@H]2C[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000028369023 JK Annotated Anodyne N#Cc1ccc(-c2cccc(CO[C@H]3C[C@H]4C(=O)N(c5cc(Cl)cc(Cl)c5)C(=O)N4C3)c2)cc1 ZINC000028369039 JK Annotated Mild N#Cc1ccc(-c2cccc(CN[C@@H]3C[C@H]4C(=O)N(c5cc(Cl)cc(Cl)c5)C(=O)N4C3)c2)cc1 ZINC000028369046 JK Annotated Mild COc1cccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]2[C@@H]2CCc3cc(OC)ccc3C2)c1 ZINC000028369078 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CCc3cc(OC)ccc3C2)c1 ZINC000028369083 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]2[C@H]2CCc3cc(OC)ccc3C2)c1 ZINC000028369090 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@H]2CCc3cc(OC)ccc3C2)c1 ZINC000028369096 JK Annotated Anodyne Fc1ccc(CNc2nc(NCc3ccc(F)cc3)nc(NCc3ccc(F)cc3)n2)cc1 ZINC000028369140 JK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(Br)cc1 ZINC000028369241 JK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(-c2cc(-c3ccnc4ccccc34)no2)cc1)c1ccc(F)cc1 ZINC000028369372 JK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(-c2cc(-c3ccnc4ccccc34)no2)cc1)c1ccc(F)cc1 ZINC000028369379 JK Annotated Anodyne COc1cc(OCc2ccccc2)c2c(OC)cc(C[C@@H]3CCOC(C)(C)O3)cc2c1OC ZINC000028369753 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1cccc(O)c1[C@H]3c1ccc([C@@H](O)CCN2CCCCC2)cc1 ZINC000028370367 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1cccc(O)c1[C@H]3c1ccc([C@H](O)CCN2CCCCC2)cc1 ZINC000028370372 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1cccc(O)c1[C@@H]3c1ccc([C@@H](O)CCN2CCCCC2)cc1 ZINC000028370379 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1cccc(O)c1[C@@H]3c1ccc([C@H](O)CCN2CCCCC2)cc1 ZINC000028370385 JK Annotated Anodyne Oc1ccc2c(c1)Cc1sc3cc(O)ccc3c1[C@@H]2c1ccc([C@@H](O)CCN2CCCCC2)cc1 ZINC000028370702 JK Annotated Anodyne Oc1ccc2c(c1)Cc1sc3cc(O)ccc3c1[C@@H]2c1ccc([C@H](O)CCN2CCCCC2)cc1 ZINC000028370707 JK Annotated Anodyne Oc1ccc2c(c1)Cc1sc3cc(O)ccc3c1[C@H]2c1ccc([C@@H](O)CCN2CCCCC2)cc1 ZINC000028370712 JK Annotated Anodyne Oc1ccc2c(c1)Cc1sc3cc(O)ccc3c1[C@H]2c1ccc([C@H](O)CCN2CCCCC2)cc1 ZINC000028370719 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)c(Cl)c1 ZINC000028370998 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1ccccc1[C@H]3c1ccc([C@@H](O)CCN2CCCCC2)cc1 ZINC000028371395 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1ccccc1[C@H]3c1ccc([C@H](O)CCN2CCCCC2)cc1 ZINC000028371402 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1ccccc1[C@@H]3c1ccc([C@@H](O)CCN2CCCCC2)cc1 ZINC000028371409 JK Annotated Anodyne Oc1ccc2c3c(sc2c1)Cc1ccccc1[C@@H]3c1ccc([C@H](O)CCN2CCCCC2)cc1 ZINC000028371416 JK Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4Br)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028371429 JK Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4Cl)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028371592 JK Annotated Anodyne COc1ccc(-c2c(SC)nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2N)c(OC)c1 ZINC000028373326 JK Annotated Anodyne ClCCN(CCCl)CCOc1cccc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000028373645 JK Annotated Reactive O=C1OC2(CCC(N3CCC(Cc4ccccc4C(F)(F)F)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028373823 JK Annotated Anodyne Oc1ccc2c(c1)[C@@H](c1ccc([C@@H](O)CCN3CCCCC3)cc1)c1c(sc3cc(O)ccc13)C2 ZINC000028375559 JK Annotated Anodyne Oc1ccc2c(c1)[C@@H](c1ccc([C@H](O)CCN3CCCCC3)cc1)c1c(sc3cc(O)ccc13)C2 ZINC000028375567 JK Annotated Anodyne Oc1ccc2c(c1)[C@H](c1ccc([C@@H](O)CCN3CCCCC3)cc1)c1c(sc3cc(O)ccc13)C2 ZINC000028375574 JK Annotated Anodyne Oc1ccc2c(c1)[C@H](c1ccc([C@H](O)CCN3CCCCC3)cc1)c1c(sc3cc(O)ccc13)C2 ZINC000028375581 JK Annotated Anodyne Fc1ccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)cc1 ZINC000028375823 JK Annotated Mild O=C1OC2(CCC(N3CCC(Cc4cc(Cl)ccc4Cl)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028380137 JK Annotated Anodyne CSc1ccc(-c2c(SC)nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2N)cc1 ZINC000028380643 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Br)cc1 ZINC000028381342 JK Annotated Anodyne COc1cc2[nH]c(=O)c3c(c2cc1OC)CCC[C@@H]3N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000028381913 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2c(C)cccc2C)cc1 ZINC000028383106 JK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)CN1CCCC1 ZINC000028383695 JK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)CN1CCCC1 ZINC000028383701 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)c2ccc3c(c2)OCO3)cc1 ZINC000028383799 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(Cl)c1 ZINC000028384031 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1 ZINC000028384158 JK Annotated Anodyne COc1cccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)c1 ZINC000028385149 JK Annotated Mild CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I ZINC000028385371 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(C#N)c2)cc1 ZINC000028385446 JK Annotated Mild CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1 ZINC000028385750 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc3c(c2)OCO3)cc1 ZINC000028386074 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(C)C)c1 ZINC000028386423 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(C)(C)C)c1 ZINC000028386564 JK Annotated Anodyne Cc1cc(C)nc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccc(Cl)cc23)c1 ZINC000028388519 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(F)(F)F)c1 ZINC000028389985 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1 ZINC000028390089 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc2c(c1)OCO2 ZINC000028390374 JK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)cc1 ZINC000028390437 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(CO)c2)cc1 ZINC000028391391 JK Annotated Anodyne S=C(NCCCNCc1cc(Br)cc(Br)c1)Nc1ccc(Cl)cc1 ZINC000028391524 JK Annotated Anodyne COc1cc(OC)cc(-c2nc(-c3ccc(Cl)cc3Cl)c(CN(C)C)c(N(C)C)n2)c1 ZINC000028391626 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cnc3ccccc3c2)cc1 ZINC000028393179 JK Annotated Anodyne COc1ccccc1N/C(S)=N/CCCNCc1cc(Br)cc(Br)c1 ZINC000028393680 JK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(C(C)=O)c2)cc1 ZINC000028394123 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(C(C)=O)cc2)cc1 ZINC000028394923 JK Annotated Anodyne Fc1cccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)c1 ZINC000028395333 JK Annotated Mild CCNC(=O)c1ccc(C(C2=CN(OC)C=CC2)=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 ZINC000028395413 JK Annotated Anodyne Cc1ccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)cc1 ZINC000028395432 JK Annotated Mild CCCc1c(OCCCCOc2ccc(-c3nnn[nH]3)cc2)ccc2c1ccn2CC1CCCCC1 ZINC000028397257 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c2cccc(NC(C)=O)c2)cc1 ZINC000028397469 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(NC(C)=O)c2)cc1 ZINC000028397878 JK Annotated Anodyne Fc1ccccc1N/C(S)=N/CCCNCc1cc(Br)cc(Br)c1 ZINC000028398258 JK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(NC(C)=O)cc2)cc1 ZINC000028455263 JK Annotated Anodyne CC(=O)c1cn2c(n1)N(c1cc(Cl)cc(Cl)c1)C(=O)[C@@]2(C)Cc1ccc(Br)cc1 ZINC000028455381 JK Annotated Anodyne CC(=O)c1cn2c(n1)N(c1cc(Cl)cc(Cl)c1)C(=O)[C@]2(C)Cc1ccc(Br)cc1 ZINC000028455384 JK Annotated Anodyne COc1ccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)cc1 ZINC000028455560 JK Annotated Mild [O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000028455566 JK Annotated Bother CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028456016 JK Annotated Bother CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000028456602 JK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(O)c(OC)c2)cc1 ZINC000028456606 JK Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1ccc(Br)c(Br)c1 ZINC000028457126 JK Annotated Mild CCCc1c(OCCCCOc2ccc(-c3nnn[nH]3)cc2)ccc2c1cc(C)n2CC(C)(C)C ZINC000028457796 JK Annotated Anodyne O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000028457876 JK Annotated Anodyne O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000028457879 JK Annotated Anodyne COC1=C(CC(C)(C)COC(=O)c2ccc3ccccc3c2OC)C(=O)c2ccccc2C1=O ZINC000028458782 JK Annotated Mild CCCc1c(OC/C=C/COc2ccc(-c3nnn[nH]3)cc2)ccc2c1ccn2CC(C)(C)C ZINC000028459867 JK Annotated Anodyne CCOC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Nc1ccc(O)c(CN(CC)CC)c1 ZINC000028461365 JK Annotated Clean CCCc1c(OCCCCOc2ccc(-c3nnn[nH]3)cc2)ccc2c1cnn2CC(C)(C)C ZINC000028461935 JK Annotated Anodyne CCN(Cc1ccco1)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br ZINC000028462336 JK Annotated Anodyne COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000028462361 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC ZINC000028462365 JK Annotated Bother COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(OC)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028463008 JK Annotated Anodyne Cc1ccc([C@@](C)(CCCCC(=O)CCCC[C@@](C)(C(=O)O)c2ccc(C)cc2)C(=O)O)cc1 ZINC000028463201 JK Annotated Anodyne Cc1ccc([C@](C)(CCCCC(=O)CCCC[C@@](C)(C(=O)O)c2ccc(C)cc2)C(=O)O)cc1 ZINC000028463205 JK Annotated Anodyne Cc1ccc([C@](C)(CCCCC(=O)CCCC[C@](C)(C(=O)O)c2ccc(C)cc2)C(=O)O)cc1 ZINC000028463211 JK Annotated Anodyne CCCCN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 ZINC000028463402 JK Annotated Anodyne CCCc1c(OCCCCCOc2ccc(-c3nnn[nH]3)cc2)ccc2c1ccn2CC(C)(C)C ZINC000028464178 JK Annotated Anodyne CC(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028464714 JK Annotated Anodyne CC(=O)c1cnc2n1[C@@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028464719 JK Annotated Anodyne CCOC(=O)CCCCCCCCNC(=O)c1cccc(COc2cc(O)c(C(C)=O)cc2CC)c1 ZINC000028465015 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(c3)OCO4)cc2)C(=O)NC(C)C)c1 ZINC000028465730 JK Annotated Anodyne CCc1ccccc1C(=O)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028466194 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000028466199 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(C)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028466377 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccccc3CN(C)C)c2)c1 ZINC000028466463 JK Annotated Mild COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(SC)cc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028466496 JK Annotated Anodyne CCOc1cccc(-c2ccc(CN(C(=O)C(C)C)c3cccc(/C=C/C(=O)OC)c3)cc2)c1 ZINC000028466950 JK Annotated Anodyne CC(C)/N=C(/N)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1 ZINC000028467578 JK Annotated Mild C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000028467811 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000028467816 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000028467818 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000028467821 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(SC)cc3)cc2)C(=O)C(C)C)c1 ZINC000028467940 JK Annotated Anodyne COC1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@@H]3CC[C@H]2C(C)(C)C1=O ZINC000028468120 JK Annotated Anodyne COC1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@@H]3CC[C@@H]2C(C)(C)C1=O ZINC000028468124 JK Annotated Anodyne COC1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@H]3CC[C@H]2C(C)(C)C1=O ZINC000028468128 JK Annotated Anodyne COC1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@H]3CC[C@@H]2C(C)(C)C1=O ZINC000028468132 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(OC)cc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028469096 JK Annotated Anodyne CCOP(=O)(/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1)OCC ZINC000028469175 JK Annotated Anodyne O=C(O)C[C@@H](c1ccccc1Cl)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028469599 JK Annotated Anodyne O=C(O)C[C@H](c1ccccc1Cl)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028469604 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccc(F)cc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028469836 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3F)cc2)C(=O)C2CCCCC2)c1 ZINC000028470548 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3F)cc2)C(=O)NC(C)C)c1 ZINC000028470553 JK Annotated Anodyne C=CCn1cc(-c2ccc(Cl)cc2Cl)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028470754 JK Annotated Mild C=CCn1cc(-c2ccc(Cl)cc2Cl)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028470758 JK Annotated Mild COc1ccc(C(=O)/C=C/c2cc(-c3ccccc3C(F)(F)F)ccc2N2CCN(C)CC2)c(F)c1 ZINC000028470807 JK Annotated Mild COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3c(C)cc(C)cc3C)cc2)C(=O)C(C)C)c1 ZINC000028470945 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(F)c(F)c1 ZINC000028471133 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(N(C)CCN(C)C)c(/C=C/C(=O)c3cccc(NCCN(C)C)c3)c2)c1 ZINC000028471221 JK Annotated Mild CC(C)/N=C(/N)c1ccc2c(Cl)c(C(=O)Nc3ccc(Br)cc3)sc2c1 ZINC000028471547 JK Annotated Mild CC(C)/N=C(/N)c1ccc(NC(=O)c2sc3cc(/C(N)=N\C(C)C)ccc3c2Cl)cc1 ZINC000028471637 JK Annotated Mild COc1cccc([C@@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028471901 JK Annotated Anodyne COc1cccc([C@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028471906 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C(C)C)c1 ZINC000028471930 JK Annotated Anodyne COc1ccc([C@@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cc1 ZINC000028472104 JK Annotated Anodyne COc1ccc([C@H](CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cc1 ZINC000028472108 JK Annotated Anodyne O=C(O)C[C@@H](c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028472706 JK Annotated Anodyne O=C(O)C[C@H](c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028472711 JK Annotated Anodyne CCC[C@@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028472867 JK Annotated Anodyne CCC[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028472871 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(N3CCN(C)CC3)c(/C=C/C(=O)c3cccc(NCCN(C)C)c3)c2)c1 ZINC000028472926 JK Annotated Mild O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1F ZINC000028472980 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3cccc(F)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028472983 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C ZINC000028473144 JK Annotated Reactive C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C ZINC000028473147 JK Annotated Reactive C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C ZINC000028473149 JK Annotated Reactive C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C ZINC000028473152 JK Annotated Reactive COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)C(=O)c2ccccc2)c1 ZINC000028473288 JK Annotated Anodyne O=C(O)CCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CCC(=O)O)s2)s1 ZINC000028473384 JK Annotated Bother C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(Cl)=C[C@]4(C)C3=CC[C@]12C ZINC000028473618 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(Cl)=C[C@]4(C)C3=CC[C@]12C ZINC000028473621 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(Cl)=C[C@]4(C)C3=CC[C@]12C ZINC000028473624 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(Cl)=C[C@]4(C)C3=CC[C@]12C ZINC000028473627 JK Annotated Anodyne O=C(O)Cc1csc(-c2nc3cc4ccccc4cc3nc2-c2cc(CC(=O)O)cs2)c1 ZINC000028473923 JK Annotated Bother COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3cccc(F)c3)cc2)C(=O)C(C)C)c1 ZINC000028473941 JK Annotated Anodyne O=C(O)C[C@@H](c1ccc(F)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028473964 JK Annotated Anodyne O=C(O)C[C@H](c1ccc(F)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028473967 JK Annotated Anodyne O=C(O)C[C@@H](c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474161 JK Annotated Anodyne O=C(O)C[C@H](c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474164 JK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028474267 JK Annotated Anodyne Cc1ccc(C(=O)N/C(=C\c2ccc(Oc3ccccc3Br)cc2)C(=O)O)cc1 ZINC000028474293 JK Annotated Anodyne O=C1N(Cc2ccc(COc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CCN1c1ccncc1 ZINC000028474492 JK Annotated Anodyne O=C(O)C[C@@H](c1ccc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474610 JK Annotated Anodyne O=C(O)C[C@H](c1ccc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474612 JK Annotated Anodyne O=C(O)C[C@@H](c1cccc2ccccc12)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474808 JK Annotated Anodyne O=C(O)C[C@H](c1cccc2ccccc12)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474811 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3cccc(NCCN(C)C)c3)c2)c1 ZINC000028474927 JK Annotated Mild O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(F)cc1F ZINC000028474970 JK Annotated Anodyne CC[C@@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028475530 JK Annotated Anodyne CC[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028475533 JK Annotated Anodyne COc1ccccc1[C@@H](CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028475683 JK Annotated Anodyne COc1ccccc1[C@H](CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028475686 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2c(F)cccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028475708 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1cccc(F)c1 ZINC000028475821 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3F)cc2)C(=O)C(C)C)c1 ZINC000028476038 JK Annotated Anodyne CCN(Cc1ccccc1)Cn1c(O)c(/N=N/C(=N)S)c2cc(C)c(Br)cc21 ZINC000028476378 JK Annotated Clean Cc1cc(C)cc(-c2ccc(N3CCNCC3)c(/C=C/C(=O)c3cccc(NCCN(C)C)c3)c2)c1 ZINC000028476570 JK Annotated Mild CC(C)(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028476594 JK Annotated Anodyne COc1ccc(C(=O)/C=C/c2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)cc1CN(C)C ZINC000028476637 JK Annotated Mild O=C1N(Cc2cccc(COc3ccc(-c4ccc(Cl)cc4)cc3)n2)CCN1c1ccncc1 ZINC000028476800 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)C(C)C)c1 ZINC000028476882 JK Annotated Anodyne O=C1N(Cc2ccccc2COc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1 ZINC000028477018 JK Annotated Anodyne CC(C)[C@@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028477021 JK Annotated Anodyne CC(C)[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028477022 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccc(NCCN(C)C)cc3)c2)c1 ZINC000028477131 JK Annotated Mild O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000028477159 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000028477161 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccccc3NCCN(C)C)c2)c1 ZINC000028477236 JK Annotated Mild CN(C)c1ccc(CCNC[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028477915 JK Annotated Anodyne CN(C)c1ccc(CCNC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028477918 JK Annotated Anodyne O=C(CCC1CCCC1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028478030 JK Annotated Anodyne CC(C)(CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O ZINC000028520577 JK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000028520617 JK Annotated Anodyne CC1(CCOCc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000028520621 JK Annotated Clean COc1cc(-c2c3c4ccccc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000028520625 JK Annotated Bother O=C(Cc1ccc(F)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028520768 JK Annotated Anodyne O=C1C(CCOCc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000028520814 JK Annotated Clean COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000028520824 JK Annotated Bother CC1(CC(=O)c2ccc(F)cc2F)C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000028520905 JK Annotated Clean O=C1C(CCSCc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000028520907 JK Annotated Clean CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54[C@H](OC(=O)CC=C(C)C)C[C@@H]32)C1 ZINC000028520929 JK Annotated Anodyne O=C1C(Cc2cccc(C(F)(F)F)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000028521071 JK Annotated Clean Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccc(CN(C)C)cc3)c2)c1 ZINC000028521169 JK Annotated Mild COc1cc2cc(C(=O)Nc3cc(O)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC ZINC000028521221 JK Annotated Reactive O=C(CC1CCCCC1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028521240 JK Annotated Anodyne c1ccc(-c2csc[n+]2CCCCCCCCCCCC[n+]2cscc2-c2ccccc2)cc1 ZINC000028521366 JK Annotated Anodyne O=C(CCc1ccc(F)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028521377 JK Annotated Anodyne C[C@H]1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[C@@H]1OCC(=O)c1ccc(F)cc1F ZINC000028521379 JK Annotated Anodyne C[C@@H]1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[C@@H]1OCC(=O)c1ccc(F)cc1F ZINC000028521382 JK Annotated Anodyne C[C@H]1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[C@H]1OCC(=O)c1ccc(F)cc1F ZINC000028521385 JK Annotated Anodyne C[C@@H]1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[C@H]1OCC(=O)c1ccc(F)cc1F ZINC000028521388 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCC3)c2ncccc2c1 ZINC000028521405 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCC3)c2ncccc2c1 ZINC000028521409 JK Annotated Anodyne CCN(CCC1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)Cc1ccccc1 ZINC000028521433 JK Annotated Clean CC(C)(CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028521639 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCCCC3)c2ncccc2c1 ZINC000028521644 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCCCC3)c2ncccc2c1 ZINC000028521647 JK Annotated Anodyne COc1ccc2oc(=O)c3c(c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)cc5ccn43)c2c1 ZINC000028521695 JK Annotated Bother Cc1ccc(CCC(=O)N/C(=C\c2ccc(Oc3ccccc3Br)cc2)C(=O)O)cc1 ZINC000028521948 JK Annotated Anodyne Cc1cc(COc2ccc(-c3ccc(Cl)cc3)cc2)cc(CN2CCN(c3ccncc3)C2=O)c1 ZINC000028522175 JK Annotated Anodyne CC(C)=CCC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](N(C)C)CC[C@@]32C)[C@@H]2CC[C@@H]3[C@H](C)N(C)C[C@@]321 ZINC000028522186 JK Annotated Anodyne Clc1cc(Cl)cc(CCNC[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028522337 JK Annotated Anodyne Clc1cc(Cl)cc(CCNC[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000028522339 JK Annotated Anodyne Cc1cc(C)cc(NC(=O)NC[C@H](CC(C)C)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000028522396 JK Annotated Anodyne Cc1cc(C)cc(NC(=O)NC[C@@H](CC(C)C)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000028522398 JK Annotated Anodyne COc1ccccc1CCNC[C@H](c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000028522476 JK Annotated Anodyne COc1ccccc1CCNC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000028522478 JK Annotated Anodyne N#Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028522502 JK Annotated Mild CCCCn1c(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]c1=S ZINC000028522706 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCCC3)c2ncccc2c1 ZINC000028522862 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCCC3)c2ncccc2c1 ZINC000028522864 JK Annotated Anodyne O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F ZINC000028523168 JK Annotated Anodyne O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F ZINC000028523169 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4cccc(Br)c4)cc3F)nc2c1 ZINC000028523369 JK Annotated Anodyne CN(C)c1ccc([C@@H](CNCCc2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523411 JK Annotated Clean CN(C)c1ccc([C@H](CNCCc2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523412 JK Annotated Clean C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/C3CCCCC3)C/C=C/[C@@H](O)C1)O2 ZINC000028523458 JK Annotated Mild O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028523459 JK Annotated Anodyne O[C@H](CNCc1ccccc1OCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028523460 JK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1C1CC1 ZINC000028523620 JK Annotated Bother CN(C)c1ccc(CCNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523635 JK Annotated Anodyne CN(C)c1ccc(CCNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523636 JK Annotated Anodyne c1ccc(C[C@@H](CNc2cc(-c3ccncc3)c(-c3cccc4ccccc34)nn2)N2CCCC2)cc1 ZINC000028523670 JK Annotated Anodyne CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 ZINC000028524009 JK Annotated Bother CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028524011 JK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028524012 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(F)cc4F)cc3F)nc2c1 ZINC000028524161 JK Annotated Anodyne Cc1cccc(-c2nc3c(=O)n(Cc4ccccc4)nc(C)c3c3cc(-c4ccccc4)nn23)c1 ZINC000028524167 JK Annotated Anodyne O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc(C2CCCCC2)cc1 ZINC000028524254 JK Annotated Anodyne COc1cccc(C(=O)N2CCCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524267 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)c(F)c3)nc2c1 ZINC000028524333 JK Annotated Anodyne COc1cccc(CN2CCCCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524369 JK Annotated Anodyne Cc1ccc(-n2c(S)nnc2-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000028524447 JK Annotated Anodyne CN(C)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028524542 JK Annotated Anodyne CC(C)N[C@H](CNc1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1)Cc1ccccc1 ZINC000028524543 JK Annotated Anodyne COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)O)ccc4o3)c(F)c2)c(F)c1 ZINC000028524658 JK Annotated Anodyne COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1Cl)CC2 ZINC000028524691 JK Annotated Anodyne COc1cccc(C(=O)N2CCCCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524761 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)cc4Cl)cc3F)nc2c1 ZINC000028524787 JK Annotated Anodyne Cc1cccc(-n2c(S)nnc2-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000028524905 JK Annotated Anodyne c1ccc(C[C@H]2CN(c3cc(-c4ccncc4)c(-c4cccc5ccccc45)nn3)CCN2)cc1 ZINC000028524971 JK Annotated Anodyne Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028525032 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)c(Cl)c4)c(F)c3)nc2c1 ZINC000028525287 JK Annotated Anodyne Nc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028525335 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccc(N)nc1)n2Cc1ccccc1F ZINC000028525353 JK Annotated Anodyne CCCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 ZINC000028525382 JK Annotated Bother CC(C)Oc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028525492 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000028525503 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000028525504 JK Annotated Mild N=C(N)c1ccc2ccc(CN(CCc3ccccn3)C(=O)c3cccc4ccccc34)cc2c1 ZINC000028525520 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)c(F)c3)nc2c1 ZINC000028525528 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Cl)c4F)c(F)c3)nc2c1 ZINC000028525599 JK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028525888 JK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028525890 JK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000028525950 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccc(Cl)nc1)n2Cc1ccccc1F ZINC000028526117 JK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1 ZINC000028526387 JK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1 ZINC000028526388 JK Annotated Anodyne O=C(O)CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 ZINC000028526464 JK Annotated Anodyne CCN(CC)C(=S)/N=N\c1c(O)n(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12 ZINC000028526500 JK Annotated Clean O=C(Nc1cccc2c1CN(Cc1cccc(CNc3ccncc3)c1)C2=O)c1ccc(Cl)s1 ZINC000028526584 JK Annotated Anodyne CC1(CC(=O)Nc2ccc3c(c2)cc(C(=O)Nc2ccccc2)n3Cc2ccccc2F)CCCC1 ZINC000028526609 JK Annotated Anodyne C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1 ZINC000028526774 JK Annotated Anodyne C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1 ZINC000028526780 JK Annotated Anodyne O=C(O)CCNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 ZINC000028527049 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1cccnc1)n2Cc1ccccc1F ZINC000028527079 JK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)cc1 ZINC000028528373 JK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1 ZINC000028528478 JK Annotated Anodyne CS(=O)(=O)Oc1ccc(C[C@@H](CC[C@@H](O)c2ccc(F)cc2)CNc2ccc(F)cc2)cc1 ZINC000028528504 JK Annotated Anodyne CS(=O)(=O)Oc1ccc(C[C@@H](CC[C@H](O)c2ccc(F)cc2)CNc2ccc(F)cc2)cc1 ZINC000028528505 JK Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Nc2ccc(Cl)cc2)cc1 ZINC000028528645 JK Annotated Anodyne CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1 ZINC000028528729 JK Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1O ZINC000028528887 JK Annotated Reactive COc1ccc2c(Oc3cccc(C(F)(F)F)c3)c(C(=O)O)n(-c3ccc(C(C)(C)C)cc3)c2n1 ZINC000028528919 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028529101 JK Annotated Anodyne C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1 ZINC000028529711 JK Annotated Bother CCCC[C@@H]1Sc2ccc([C@@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530626 JK Annotated Anodyne CCCC[C@H]1Sc2ccc([C@@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530628 JK Annotated Anodyne CCCC[C@@H]1Sc2ccc([C@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530630 JK Annotated Anodyne CCCC[C@H]1Sc2ccc([C@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530632 JK Annotated Anodyne CCCC[C@@H]1Oc2ccc([C@@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530769 JK Annotated Anodyne CCCC[C@H]1Oc2ccc([C@@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530771 JK Annotated Anodyne CCCC[C@@H]1Oc2ccc([C@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530773 JK Annotated Anodyne CCCC[C@H]1Oc2ccc([C@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc2N(C)C1=O ZINC000028530775 JK Annotated Anodyne C[C@H](C(=O)O)[C@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000028538449 JK Annotated Anodyne C/C(=C\Cc1ccccc1)CC[C@@]1(O)C[C@H]2C[C@@H](C/C(C)=C/C/C=C/C/C(CC(=O)O)=C\C(=O)O2)O1 ZINC000028539358 JK Annotated Anodyne C/C(=C\Cc1ccccc1)CC[C@@H](O)C[C@H]1C[C@H](O)C/C(C)=C/C/C=C/C/C(CC(=O)O)=C\C(=O)O1 ZINC000028539367 JK Annotated Anodyne CC/C(=C\C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000028539469 JK Annotated Anodyne O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC(NCc2cccc3ccccc23)CC1 ZINC000028563069 JK Annotated Anodyne N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3c2)cc1 ZINC000028564715 JK Annotated Mild O=C1O/C(=C\c2ccccc2-c2ccc(Cl)c(Cl)c2)C(O)=C1c1ccc(Cl)c(Cl)c1 ZINC000028565339 JK Annotated Anodyne O=C1O/C(=C\c2cccc(C(F)(F)F)c2Cl)C(O)=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028565440 JK Annotated Anodyne O=C1O/C(=C\c2cccc(-c3cc(Cl)cc(Cl)c3)c2)C(O)=C1c1cc(Cl)cc(Cl)c1 ZINC000028565523 JK Annotated Anodyne C[C@@H](c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)Nc2ccccc2)CC1 ZINC000028565629 JK Annotated Anodyne C[C@H](c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)Nc2ccccc2)CC1 ZINC000028565631 JK Annotated Anodyne O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2C(=O)c2ccccc2)CC1 ZINC000028565677 JK Annotated Anodyne O=C1O/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C(O)=C1c1cc(Cl)cc(Cl)c1 ZINC000028565736 JK Annotated Anodyne O=C1O/C(=C\c2cc(C(F)(F)F)ccc2Cl)C(O)=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028566062 JK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C=CC2=O ZINC000028567028 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cccc(Br)c1)C=CC2=O ZINC000028567138 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1c(Cl)cccc1Cl)C=CC2=O ZINC000028567260 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)C=CC2=O ZINC000028567281 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C=CC2=O ZINC000028567551 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1Br)C=CC2=O ZINC000028567552 JK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(Br)cc1)C=CC2=O ZINC000028567623 JK Annotated Mild O=C1O/C(=C\c2cc(C(F)(F)F)ccc2Cl)C(O)=C1c1ccc(N2CCOCC2)c(F)c1 ZINC000028567816 JK Annotated Clean CCOCc1c(C(=O)OCC)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 ZINC000028568050 JK Annotated Mild FC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1ccnc2cc(Cl)ccc12 ZINC000028568194 JK Annotated Anodyne COC(=O)c1c(OCCN2CCCCC2)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000028568271 JK Annotated Clean O[C@@]1(C(F)(F)F)CC(c2ccc(Br)cc2)=NN1c1ccnc2cc(Cl)ccc12 ZINC000028568314 JK Annotated Clean O[C@]1(C(F)(F)F)CC(c2ccc(Br)cc2)=NN1c1ccnc2cc(Cl)ccc12 ZINC000028568315 JK Annotated Clean O[C@@]1(C(F)(F)F)CC(c2ccc(-c3ccccc3)cc2)=NN1c1ccnc2cc(Cl)ccc12 ZINC000028568399 JK Annotated Clean O[C@]1(C(F)(F)F)CC(c2ccc(-c3ccccc3)cc2)=NN1c1ccnc2cc(Cl)ccc12 ZINC000028568400 JK Annotated Clean O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc(Cl)cc1 ZINC000028568777 JK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc(Cl)cc1 ZINC000028568778 JK Annotated Anodyne Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCCCCC#N)cc2)c(C)c1 ZINC000028568996 JK Annotated Mild Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 ZINC000028569000 JK Annotated Anodyne COC(=O)c1c(OCc2ccncc2)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000028569299 JK Annotated Clean CC(C)(C)c1ccc(-c2cccc(-c3nc4ccc(/C=C5\SC(=S)N=C5O)cc4[nH]3)c2O)cc1 ZINC000028569580 JK Annotated Anodyne CCc1nc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c(=O)n1CC(F)(F)F ZINC000028569732 JK Annotated Anodyne C=CCCCO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCC=C ZINC000028569911 JK Annotated Mild Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3ccc(C#N)cc3)cc2)c(C)c1 ZINC000028570021 JK Annotated Mild Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000028570028 JK Annotated Anodyne OC1=NC(=S)S/C1=C\c1ccc2nc(-c3cccc(-c4ccc(Cl)c(Cl)c4)n3)[nH]c2c1 ZINC000028570254 JK Annotated Anodyne CC[C@@H](C)N(C)CC[C@@]1(c2ccc(F)cc2)C(=O)c2cc(OC)c(Cl)c(Cl)c2C1=O ZINC000028570287 JK Annotated Clean CC[C@@H](C)N(C)CC[C@]1(c2ccc(F)cc2)C(=O)c2cc(OC)c(Cl)c(Cl)c2C1=O ZINC000028570288 JK Annotated Clean CCCC[C@@H](/C=N/NC(=O)N1CCc2ccccc21)NC(=O)OC1(Cc2ccccc2)CCCC1 ZINC000028570446 JK Annotated Reactive O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc(F)c(F)c1 ZINC000028570693 JK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc(F)c(F)c1 ZINC000028570694 JK Annotated Anodyne CCCCCO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCCC ZINC000028571159 JK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000028571193 JK Annotated Anodyne CC(C)CO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC(C)C ZINC000028571201 JK Annotated Anodyne C=CCCCO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCC=C ZINC000028571619 JK Annotated Mild C=CCCCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCC=C ZINC000028571667 JK Annotated Mild CCCCCO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCCC ZINC000028571801 JK Annotated Anodyne CCCCO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCC ZINC000028571876 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1nc2c(C)cccc2s1)c1ccccc1F ZINC000028571908 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](Nc1nc2c(C)cccc2s1)c1ccccc1F ZINC000028571909 JK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1[C@@H](O)CCc1cccc(OC(F)(F)F)c1 ZINC000028571963 JK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1[C@H](O)CCc1cccc(OC(F)(F)F)c1 ZINC000028571964 JK Annotated Anodyne CC(C)C1=C(Sc2ccc(Br)cc2)c2ccc3c(c2C(=O)C1=O)CCCC3(C)C ZINC000028571978 JK Annotated Mild O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1OC(F)(F)F ZINC000028572039 JK Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1OC(F)(F)F ZINC000028572040 JK Annotated Anodyne CCCCCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCCC ZINC000028572130 JK Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccc(OC(F)(F)F)cc1 ZINC000028572132 JK Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccc(OC(F)(F)F)cc1 ZINC000028572133 JK Annotated Anodyne CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@@]2(C)c2cccc3ccccc23)cc1 ZINC000028572367 JK Annotated Anodyne CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@]2(C)c2cccc3ccccc23)cc1 ZINC000028572368 JK Annotated Anodyne O=C(O)c1c(O)c(Cc2c[nH]c3ccc(Br)cc23)nc2c3c(ccc12)CCCC3 ZINC000028603979 JK Annotated Anodyne COc1ccc(CSc2nc(O)c(C(C)C)c([C@@H](C#N)c3c(Cl)cccc3Cl)n2)cc1 ZINC000028604296 JK Annotated Mild COc1ccc(CSc2nc(O)c(C(C)C)c([C@H](C#N)c3c(Cl)cccc3Cl)n2)cc1 ZINC000028604297 JK Annotated Mild CCc1c([C@@H](C#N)c2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000028604370 JK Annotated Mild CCc1c([C@H](C#N)c2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000028604371 JK Annotated Mild C=C(C)Cc1cc(Cl)cc(-c2c(CCO)c(=O)n(C)c3ccc(C(F)(F)F)cc23)c1O ZINC000028604455 JK Annotated Mild C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000028604544 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000028604545 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000028604546 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000028604547 JK Annotated Anodyne COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1 ZINC000028635740 JK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7nccnc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1O3 ZINC000028637558 JK Annotated Anodyne CC(C)=CCc1c(C)c2c3c(c1O)C(=O)C1=C([C@H]4C=CC(C)(C)O[C@H]4C=C1O)[C@]31O[C@H](C2)C(C)(C)O1 ZINC000028637950 JK Annotated Mild CC(C)=CCc1c(C)c2c3c(c1O)C(=O)C1=C([C@H]4C=CC(C)(C)O[C@@H]4C=C1O)[C@]31O[C@H](C2)C(C)(C)O1 ZINC000028637952 JK Annotated Mild CC(C)=CCc1c(C)c2c3c(c1O)C(=O)C1=C([C@@H]4C=CC(C)(C)O[C@@H]4C=C1O)[C@]31O[C@H](C2)C(C)(C)O1 ZINC000028637957 JK Annotated Mild CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@H]5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)c2nccnc21 ZINC000028639044 JK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)c2nccnc21 ZINC000028639047 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000028639126 JK Annotated Mild C[C@H]([C@H]1C[C@H](O)C(C)(C)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000028639596 JK Annotated Anodyne C[C@H]([C@@H]1C[C@H](O)C(C)(C)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000028639598 JK Annotated Anodyne CC(C)C(Oc1ccc2c(c1)C[C@H]1OC=C3[C@H]1[C@@]2(C#N)CCCC31OCCO1)(C(C)C)C(C)C ZINC000028640187 JK Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)N/N=C\c3ccc(F)cc3)c12 ZINC000028641109 JK Annotated Reactive Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3ccc(F)cc3)c12 ZINC000028641111 JK Annotated Reactive CCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc(F)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000028641301 JK Annotated Reactive O=S(=O)(/C=C/c1cc(Cl)ccc1Cl)CS(=O)(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000028641351 JK Annotated Anodyne CCCCc1cc(=O)c(Cc2c(Cl)cccc2Cl)c(CC)n1C(=O)OCc1ccccc1 ZINC000028641537 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3ccc(O)cc3)c12 ZINC000028641849 JK Annotated Reactive CCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc(O)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000028642042 JK Annotated Reactive Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c12 ZINC000028642044 JK Annotated Reactive c1cc2c[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCC2 ZINC000028642861 JK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC(=O)C4=C(C(=O)O[C@]4(C)O)[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000028643762 JK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC(=O)C4=C(C(=O)O[C@@]4(C)O)[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000028643765 JK Annotated Mild CC(C)[C@@]1(C)CC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000028644069 JK Annotated Anodyne CC(C)[C@@]1(C)CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000028644072 JK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644141 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644144 JK Annotated Mild FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCCC3)nc(-c3ccccc3)nc21 ZINC000028644415 JK Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028644669 JK Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028644672 JK Annotated Anodyne Cc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@@]2(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000028644675 JK Annotated Anodyne Cc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@]2(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000028644677 JK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC(=O)C4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000028644709 JK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC(=O)C4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000028644711 JK Annotated Mild Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1-c1ccccc1Br ZINC000028646035 JK Annotated Bother Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1-c1ccc(F)cc1 ZINC000028646056 JK Annotated Bother Cc1ccccc1-n1c(C)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O ZINC000028646070 JK Annotated Bother Cc1ccc(-n2c(C)nc3c(-c4ccc(Br)cc4)nc4ccccc4c3c2=O)cc1 ZINC000028646073 JK Annotated Bother C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646764 JK Annotated Mild COC(C)(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646850 JK Annotated Anodyne CC(C)[C@@](O)(CO)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646858 JK Annotated Anodyne CC(C)[C@](O)(CO)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646861 JK Annotated Anodyne COC[C@@](O)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646864 JK Annotated Anodyne COC[C@](O)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646867 JK Annotated Anodyne CO[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)O ZINC000028646917 JK Annotated Anodyne CO[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)(C)O ZINC000028646920 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646944 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646972 JK Annotated Mild CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000028647041 JK Annotated Anodyne CC1=CC[C@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000028647044 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000028647046 JK Annotated Anodyne CC1=CC[C@H]2[C@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000028647049 JK Annotated Anodyne CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000028647052 JK Annotated Anodyne CC1=CC[C@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000028647054 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000028647057 JK Annotated Anodyne CC1=CC[C@H]2[C@H](CC[C@@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000028647059 JK Annotated Anodyne CC1=C(CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@](C)(C/C=C/C(C)(C)O)[C@H](O)CC1 ZINC000028647062 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647073 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647075 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647078 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647081 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647094 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647097 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647099 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(C=O)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647101 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(CO)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647106 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(CO)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647109 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(CO)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647111 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(CO)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000028647114 JK Annotated Anodyne CC(C)(C)c1ccc(/C=N\OCc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)cc1 ZINC000028647290 JK Annotated Mild CC(C)Oc1ccc(/C=N\OCc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)cc1 ZINC000028647297 JK Annotated Mild O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647344 JK Annotated Anodyne O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647347 JK Annotated Anodyne O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647349 JK Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647352 JK Annotated Anodyne O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647360 JK Annotated Anodyne O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647363 JK Annotated Anodyne O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647366 JK Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647369 JK Annotated Anodyne CCO[P@](=O)(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 ZINC000028648332 JK Annotated Anodyne N#Cc1cccc([C@]23CC[C@@H](N(CCNCCF)C(=O)Nc4cc(Cl)nc(Cl)c4)C[C@H]2C3)c1 ZINC000028650015 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000028651023 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)O ZINC000028651027 JK Annotated Mild in-vitro COc1cc(Sc2c[nH]c3ccc(OCCOCc4ccccc4)cc23)cc(OC)c1OC ZINC000028651348 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)N1CCc2cc(O)c(O)cc2[C@@H]1C ZINC000028651383 JK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)N1CCc2cc(O)c(O)cc2[C@H]1C ZINC000028651387 JK Annotated Clean NCCCCc1ccc(CCCCN(CC[C@@H](N)Cc2ccccc2)Cc2ccccc2)s1 ZINC000028652674 JK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000028654626 JK Annotated Anodyne C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000028654667 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000028654670 JK Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](CCC=C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000028654688 JK Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000028654692 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C ZINC000028654726 JK Annotated Mild C=C(CC[C@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C ZINC000028654729 JK Annotated Mild COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C ZINC000028655923 JK Annotated Clean COc1cc2c(/C=C3/C(=O)Nc4cc(C)c(O)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C ZINC000028655931 JK Annotated Clean C/C(=C/C(=O)CC(C)C)CCC/C(C)=C/CC/C(C)=C/Cn1cnc2c1C(=O)N(C)CN2C ZINC000028701646 JK Annotated Mild Cc1ccnc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(OCCF)cc2)c2cccc(C#N)c2)c1 ZINC000028701774 JK Annotated Mild O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3cccc([N+](=O)[O-])c3)ccc2O)N1c1ccc(Cl)cc1 ZINC000028702209 JK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)N1c1ccc(Cl)cc1 ZINC000028702225 JK Annotated Reactive O=C(NC1CCCC1)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028702921 JK Annotated Anodyne O=C(NC1CCCC1)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028702923 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028703010 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028703012 JK Annotated Anodyne CC(C)CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028703015 JK Annotated Anodyne CC(C)CNC(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 ZINC000028703017 JK Annotated Anodyne C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000028703135 JK Annotated Mild C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000028703137 JK Annotated Mild CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)[C@H](C)CCC/C(C)=C/Cc1cc(O)ccc1O ZINC000028703139 JK Annotated Anodyne in-vivo C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000028703362 JK Annotated Anodyne NCCCCOc1ccc2c(c1)NC(=O)Cc1c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc1-2 ZINC000028704114 JK Annotated Anodyne NCCCCOc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2NC(=O)C3)cc1Cl ZINC000028704121 JK Annotated Anodyne NCCCCOc1ccc(-c2cc(-c3cccc(Cl)c3)nc3c2CC(=O)Nc2ccccc2-3)cc1 ZINC000028704125 JK Annotated Anodyne CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2 ZINC000028704226 JK Annotated Anodyne CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2 ZINC000028704270 JK Annotated Anodyne N#Cc1cc(Cl)cc(-c2ccc(CN3CCC4(CC3)C(=O)N=C(O)N4c3ccccc3)cc2)c1 ZINC000028704573 JK Annotated Mild CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)C(=O)c2ccccc2C1=O ZINC000028704733 JK Annotated Mild CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C=O)C(=O)c2ccccc2C1=O ZINC000028704761 JK Annotated Reactive CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000028704785 JK Annotated Anodyne COC1(c2cc(F)cc(OCCc3cn(Cc4ccccc4)c4ccccc34)c2)CCOCC1 ZINC000028704797 JK Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704939 JK Annotated Mild C[C@H](NS(=O)(=O)c1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704943 JK Annotated Mild C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704956 JK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704968 JK Annotated Mild C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704971 JK Annotated Mild C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704973 JK Annotated Mild C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704976 JK Annotated Mild C[C@H](NS(=O)(=O)CCc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028705043 JK Annotated Mild COc1ccc2c(CNCCCCCCCCCCCO)cc3cc4c(cc3c2c1)OCO4 ZINC000028706219 JK Annotated Bother OC[C@@H]1CCCCN1Cc1cc2cc3c(cc2c2cc(OCc4ccccc4)ccc12)OCO3 ZINC000028706267 JK Annotated Bother Cc1cccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)c1 ZINC000028706512 JK Annotated Anodyne COc1cccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)c1 ZINC000028706515 JK Annotated Anodyne Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc3c(c1)OCO3)CCN(C1CCCCC1)C2=O ZINC000028706519 JK Annotated Anodyne Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccsc1)CCN(C1CCCCC1)C2=O ZINC000028706527 JK Annotated Anodyne Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1cccs1)CCN(C1CCCCC1)C2=O ZINC000028706530 JK Annotated Anodyne CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000028707426 JK Annotated Mild N#Cc1c(O)nsc1Nc1cc(Br)ccc1OCc1ccc2ccccc2c1 ZINC000028707487 JK Annotated Mild Oc1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(O)cc4)c3)ccn2)cc1 ZINC000028707558 JK Annotated Anodyne Oc1cccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(O)c4)c3)ccn2)c1 ZINC000028707561 JK Annotated Anodyne Cc1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(C)cc4)c3)ccn2)cc1 ZINC000028707564 JK Annotated Anodyne Cc1cccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(C)c4)c3)ccn2)c1 ZINC000028707567 JK Annotated Anodyne c1ccc2c(c1)ccc1c(CN3C[C@@H]4CC[C@H](C3)N4Cc3cccc4c3ccc3ccccc34)cccc12 ZINC000028707596 JK Annotated Bother N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC4CCCC4)cc3)s2)cc1)NC1CCCC1 ZINC000028707669 JK Annotated Anodyne Cc1c(N)cc(-n2c(C)ccc2-c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)cc1C(=O)O ZINC000028707717 JK Annotated Clean Nn1c(-c2ccc(Cl)cc2)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O ZINC000028708395 JK Annotated Bother Nn1c(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc3c2c1=O ZINC000028708404 JK Annotated Bother CCSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 ZINC000028709033 JK Annotated Anodyne CC(=O)Oc1ccc2c([C@@H](C/C=C/C#CC(C)(C)C)S(=O)(=O)c3ccccc3)cc(=O)oc2c1 ZINC000028709421 JK Annotated Mild CC(=O)Oc1ccc2c([C@H](C/C=C/C#CC(C)(C)C)S(=O)(=O)c3ccccc3)cc(=O)oc2c1 ZINC000028709423 JK Annotated Mild CCOC(=O)Oc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12 ZINC000028710099 JK Annotated Bother O=C(NCc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1ncc(Sc2ccccn2)s1 ZINC000028710347 JK Annotated Anodyne O=C(NCc1ncc(-c2cccc(Br)c2)[nH]1)Nc1ncc(Sc2ccccn2)s1 ZINC000028710348 JK Annotated Anodyne CN(C(=O)C(F)(F)F)c1ccc(-c2cn3cc(Br)ccc3n2)cc1Br ZINC000028710749 JK Annotated Anodyne O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 ZINC000028710902 JK Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2c2cn(-c3ccccc3)nc12 ZINC000028710910 JK Annotated Anodyne Cc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1 ZINC000028710912 JK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c2onc(OC)c2c1 ZINC000028711649 JK Annotated Anodyne COC(=O)c1cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000028711672 JK Annotated Anodyne COc1c(C)cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc1C(=O)SC ZINC000028711699 JK Annotated Anodyne COc1c(C)cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c3on(C)c(=O)c3c2)cc1C(=O)SC ZINC000028711701 JK Annotated Anodyne COc1c(C)cc(/C(=C/CCc2nnc(C)o2)c2cc(C)c3oc(=O)n(C)c3c2)cc1C(=O)SC ZINC000028711711 JK Annotated Anodyne COc1c(C)cc(/C(=C/CCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc1C(=O)SC ZINC000028711712 JK Annotated Anodyne COc1c(C)cc(/C(=C/CCc2nnc(C)o2)c2cc(C)c3on(C)c(=O)c3c2)cc1C(=O)SC ZINC000028711713 JK Annotated Anodyne O=C1N(Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1c1ccc(NC2=NCCN2)cc1 ZINC000028711868 JK Annotated Anodyne Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 ZINC000028711892 JK Annotated Anodyne Cc1ccc2c(c1)N(c1ccc(NCCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 ZINC000028711904 JK Annotated Anodyne CCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O ZINC000028711907 JK Annotated Anodyne Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C(C)C)N=C2C1CCCCC1 ZINC000028711910 JK Annotated Anodyne O=C(/C=C/c1ccc(F)cc1)c1ccc(N/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028712207 JK Annotated Mild O=C(/C=C/c1ccc(F)cc1F)c1ccc(N/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028712211 JK Annotated Mild Clc1ccccc1[C@@H]1c2c(ccc3ccccc23)Oc2ncn3nc(-c4ccccc4)nc3c21 ZINC000028712260 JK Annotated Anodyne Clc1ccccc1[C@H]1c2c(ccc3ccccc23)Oc2ncn3nc(-c4ccccc4)nc3c21 ZINC000028712261 JK Annotated Anodyne Clc1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 ZINC000028712262 JK Annotated Anodyne Clc1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 ZINC000028712263 JK Annotated Anodyne O=c1c2c(ncn1/N=C/C1=C(Cl)c3ccccc3CC1)sc(=S)n2-c1ccccc1 ZINC000028712337 JK Annotated Mild Cc1cccc2c(CNc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)cc(=O)[nH]c12 ZINC000028712488 JK Annotated Anodyne C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCCC1C2CC3CC(C2)CC1C3 ZINC000028712519 JK Annotated Bother C[N+](C)(C)[C@@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712521 JK Annotated Bother C[N+](C)(C)[C@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712522 JK Annotated Bother C[N+](C)(C)[C@@H]1CCCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712523 JK Annotated Bother C[N+](C)(C)[C@H]1CCCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712524 JK Annotated Bother C[N+](C)(C)[C@@H]1CCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712525 JK Annotated Bother C[N+](C)(C)[C@H]1CCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712526 JK Annotated Bother C[N+](C)(C)[C@@H]1CCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712527 JK Annotated Bother C[N+](C)(C)[C@H]1CCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 ZINC000028712528 JK Annotated Bother Cc1c(OCCCCCOc2c(C)n(C3CCCCC3)ccc2=O)c(=O)ccn1C1CCCCC1 ZINC000028712725 JK Annotated Anodyne Cc1c(OCCCCCOc2c(C)n(-c3ccccc3)ccc2=O)c(=O)ccn1-c1ccccc1 ZINC000028712727 JK Annotated Anodyne COc1ccc(Cl)c(-c2nnc3sc(-c4cc(-c5ccccc5)nc5ccccc45)nn23)c1 ZINC000028712862 JK Annotated Anodyne O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc2nc[nH]c2c1 ZINC000028713112 JK Annotated Bother O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000028713113 JK Annotated Bother O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccsc1 ZINC000028713114 JK Annotated Bother O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)Nc1ccc(O)cc1C(=O)C[C@H](O)C(=O)O ZINC000028713667 JK Annotated Bother O=C(Oc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000028713811 JK Annotated Anodyne CCOC(=O)/C(=C/Nc1cc(Br)c(OC)c(Br)c1)c1ccc(OC)cc1 ZINC000028714121 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C(\c2ccccc2)c2ccc(-c3ccccc3)cc2)SC1=S ZINC000028714327 JK Annotated Clean C=CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=C(c2ccccc2)c2ccccc2)SC1=S ZINC000028714331 JK Annotated Mild CC(C)c1ccc(-n2c3cssc-3c(NC(=O)c3cc(O)c(C(C)C)c(O)c3)c2=O)cc1 ZINC000028714468 JK Annotated Anodyne N=C(NCC1CCCCC1)c1ccc(-c2ccc(-c3ccc(C(=N)NCC4CCCCC4)cc3)o2)cc1 ZINC000028754722 JK Annotated Anodyne CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OCn3cnnn3)ccc2c1 ZINC000028757006 JK Annotated Anodyne CCN(CC)CCCCNc1ccc2c3c(nn2CCN(CC)CC)-c2ccccc2C(=O)c13 ZINC000028757409 JK Annotated Clean N=C(N)SCCOc1oc(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2c1Cl ZINC000028757603 JK Annotated Anodyne Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccc(OCn3cnnn3)cc2)cc1 ZINC000028757879 JK Annotated Anodyne COC1(OC)C=CC(C2(C3=CCC(OC)(OC)C=C3)Sc3ccccc3-n3cccc32)=CC1 ZINC000028758899 JK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1O ZINC000028759228 JK Annotated Clean Cc1cc(Nc2ccc(O)c(CN3CCCC3)c2)nc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000028759722 JK Annotated Clean COC(=O)c1cc(CO/N=C(\C)c2ccc(Sc3cc(F)cc(C4CCOCC4)c3)cc2)on1 ZINC000028759937 JK Annotated Mild O[C@@]12CCCCCC[C@H]3CCN4CCC[C@H](CCCCCC[C@H]5CCN(CCC1)[C@@H]2O5)[C@H]4O3 ZINC000028760137 JK Annotated Anodyne CCNCc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028760402 JK Annotated Anodyne Brc1ccc2[nH]cc([C@H]3Nc4ccc(C#CCN5CCCCC5)cc4[C@H]4OCC[C@@H]34)c2c1 ZINC000028760427 JK Annotated Mild C=CCN1C[C@H](C)N([C@H](c2ccc(C(=S)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000028760445 JK Annotated Mild C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=S)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000028760446 JK Annotated Mild Brc1ccc2[nH]cc([C@H]3Nc4c(I)cccc4[C@H]4OCC[C@@H]34)c2c1 ZINC000028760518 JK Annotated Anodyne CCCc1c(O)c(CCCOc2ccc(C3N=NN=N3)cc2)cc2c1C[C@@H](CCc1ccccc1)O2 ZINC000028760645 JK Annotated Anodyne COC(=O)C(C)(C)CO/N=C(\C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028760889 JK Annotated Mild C[C@@H]1Cc2ccccc2-c2c(COC(=O)NC3CCCCC3)c(COC(=O)NC3CCCCC3)cn21 ZINC000028760898 JK Annotated Anodyne C[C@H]1Cc2ccccc2-c2c(COC(=O)NC3CCCCC3)c(COC(=O)NC3CCCCC3)cn21 ZINC000028760901 JK Annotated Anodyne CC(C)N(CCNCc1c2ccccc2c(CNCCN(C(C)C)C(C)C)c2ccccc12)C(C)C ZINC000028761478 JK Annotated Bother CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCCS(=O)(=O)c2cccs2)c1 ZINC000028763416 JK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(CC)S(=O)(=O)c2cccs2)c1 ZINC000028764258 JK Annotated Mild CCCCN1CN(CCCC)[C@@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl ZINC000028764407 JK Annotated Anodyne CCCCN[C@@H](c1c(Cl)cccc1Cl)[C@H](NCCCC)c1c(Cl)cccc1Cl ZINC000028764695 JK Annotated Anodyne CCCCN[C@@H](c1c(Cl)cccc1Cl)[C@@H](NCCCC)c1c(Cl)cccc1Cl ZINC000028764697 JK Annotated Anodyne CCCCN[C@H](c1c(Cl)cccc1Cl)[C@H](NCCCC)c1c(Cl)cccc1Cl ZINC000028764698 JK Annotated Anodyne NC(=O)NC[C@H]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000028764964 JK Annotated Anodyne NC(=O)C[C@@H]1CCC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000028765032 JK Annotated Anodyne CCCCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](NCCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765081 JK Annotated Anodyne CCCCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](NCCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765083 JK Annotated Anodyne CCCCN[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NCCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765085 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)C/N=C(\S)NCCc1ccccc1 ZINC000028765116 JK Annotated Mild O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)O[C@@]23[C@@H](OC(=O)[C@H]12)c1ccccc1[C@H]3O ZINC000028765258 JK Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)O[C@@]23[C@@H](O)c4ccccc4[C@@H]2OC(=O)[C@H]13 ZINC000028765260 JK Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)O[C@@]23[C@@H](O)c4ccccc4[C@H]2OC(=O)[C@H]13 ZINC000028765263 JK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)Cc2cccs2)c1 ZINC000028765346 JK Annotated Mild CCCCN[C@@H](c1ccc(Cl)cc1Cl)[C@H](NCCCC)c1ccc(Cl)cc1Cl ZINC000028765377 JK Annotated Anodyne CCCCN[C@@H](c1ccc(Cl)cc1Cl)[C@@H](NCCCC)c1ccc(Cl)cc1Cl ZINC000028765378 JK Annotated Anodyne CCCCN[C@H](c1ccc(Cl)cc1Cl)[C@H](NCCCC)c1ccc(Cl)cc1Cl ZINC000028765380 JK Annotated Anodyne NC(=O)C[C@H]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000028765777 JK Annotated Anodyne Cc1cccc(C2=CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)c1 ZINC000028768184 JK Annotated Anodyne CCCN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@H](NCCC)c1c(Cl)cc(O)cc1Cl ZINC000028768977 JK Annotated Anodyne CCCN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](NCCC)c1c(Cl)cc(O)cc1Cl ZINC000028768978 JK Annotated Anodyne CCCN[C@H](c1c(Cl)cc(O)cc1Cl)[C@H](NCCC)c1c(Cl)cc(O)cc1Cl ZINC000028768980 JK Annotated Anodyne CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)n(-c2ccccc2)c2ccc(OCc3ccccc3)cc12 ZINC000028769264 JK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000028770363 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000028770370 JK Annotated Anodyne CN1C(=O)c2c(nc(-c3ccc(C4CCCCC4)cc3)n2Cc2ccccc2)N2CC3(CCCC3)N=C12 ZINC000028770508 JK Annotated Anodyne in-vivo CCN(CC)C1CCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)CC1 ZINC000028770625 JK Annotated Anodyne CCN(CC)C1CCC(Nc2nc(Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)CC1 ZINC000028771779 JK Annotated Anodyne CCN(CC)[C@@H]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1 ZINC000028771863 JK Annotated Anodyne CCN(CC)[C@H]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1 ZINC000028771865 JK Annotated Anodyne CCN(CC)[C@@H]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1 ZINC000028771868 JK Annotated Anodyne CCN(CC)[C@H]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1 ZINC000028771870 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/Cn1c[n+](C)c2ncnc(NOCc3ccccc3)c21 ZINC000028816419 JK Annotated Anodyne CONc1ncnc2c1n(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c[n+]2C ZINC000028816565 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1c[n+](C)c2ncnc(NOC(C)(C)C)c21 ZINC000028816578 JK Annotated Anodyne CONc1ncnc2c1n(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c[n+]2C(C)C ZINC000028816580 JK Annotated Anodyne C=CC[n+]1cn(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2c(NOC)ncnc21 ZINC000028816582 JK Annotated Mild CONc1ncnc2c1n(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c[n+]2CCC#N ZINC000028816584 JK Annotated Mild CONc1ncnc2c1n(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c[n+]2C ZINC000028816600 JK Annotated Anodyne CONc1ncnc2c1n(C/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)c[n+]2C ZINC000028816602 JK Annotated Anodyne CONc1ncnc2c1n(C/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)c[n+]2C ZINC000028816604 JK Annotated Anodyne CONc1ncnc2c1n(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c[n+]2C ZINC000028816606 JK Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc(F)c(Cl)cc3Cl)C4)c2c1 ZINC000028817536 JK Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc(F)c(Cl)cc3Cl)C4)c2c1 ZINC000028817537 JK Annotated Anodyne N#CC1(c2cccc(C(F)(F)F)c2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028818995 JK Annotated Mild N#CC1(c2cccc(F)c2F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028818999 JK Annotated Mild N#CC1(c2cccc(Cl)c2Cl)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028819003 JK Annotated Mild N#CC1(c2ccccc2Cl)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028819011 JK Annotated Mild N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028819020 JK Annotated Mild O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccccc3)cc3nc4ccccc4n3c12 ZINC000028819609 JK Annotated Clean COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C2 ZINC000028820043 JK Annotated Anodyne COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1CC=C(C)C ZINC000028820049 JK Annotated Anodyne COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C3)cc(O)c1CC=C(C)C ZINC000028820051 JK Annotated Anodyne O=C(NCc1ccccc1)c1ccc([C@H]2c3nc[nH]c3CCN2Cc2cccc(Cl)c2Cl)cc1 ZINC000028820388 JK Annotated Anodyne O=C(NCc1ccccc1)c1ccc([C@@H]2c3nc[nH]c3CCN2Cc2cccc(Cl)c2Cl)cc1 ZINC000028820389 JK Annotated Anodyne N#Cc1c(-c2cc(C(F)(F)F)ccc2Cl)cc(-c2cc(Br)ccc2O)[nH]c1=O ZINC000028821560 JK Annotated Mild C[C@@H]1CN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C[C@@H](C)O1 ZINC000028821661 JK Annotated Anodyne C[C@H]1CN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C[C@@H](C)O1 ZINC000028821662 JK Annotated Anodyne C[C@H]1CN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C[C@H](C)O1 ZINC000028821663 JK Annotated Anodyne O[C@@H]1CCN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C1 ZINC000028821664 JK Annotated Anodyne O[C@H]1CCN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C1 ZINC000028821665 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)N(Cc1ccc(CNc3nccs3)cc1)c1ccccc1S2 ZINC000028821668 JK Annotated Anodyne Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@H](C)NC(=O)Oc1ccccc1F ZINC000028821684 JK Annotated Anodyne Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@@H](C)NC(=O)Oc1ccccc1F ZINC000028821685 JK Annotated Anodyne CC[C@@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)NC(=O)Oc1ccccc1F ZINC000028821686 JK Annotated Anodyne CC[C@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)NC(=O)Oc1ccccc1F ZINC000028821687 JK Annotated Anodyne COc1ccc(Cn2c(-c3ccccc3C=O)c(Br)c3cc(C)ccc3c2=O)cc1 ZINC000028822001 JK Annotated Anodyne C=Cc1ccccc1-c1c(Br)c2cc(C)ccc2c(=O)n1Cc1ccc(OC)cc1 ZINC000028822005 JK Annotated Anodyne CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(COC(=O)CN2CCOCC2)c1 ZINC000028822168 JK Annotated Anodyne COC(=O)[C@]1(CC(C)C)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822177 JK Annotated Anodyne COC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000028822179 JK Annotated Anodyne COC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000028822180 JK Annotated Anodyne CCCCN(c1ccncc1)c1nc(-c2cc(Br)ccc2F)nc2nccnc12 ZINC000028822259 JK Annotated Anodyne Fc1ccc(Br)cc1-c1nc(N(Cc2ccccc2)c2ccncc2)c2nccnc2n1 ZINC000028822260 JK Annotated Anodyne CC[C@@H](N=[N+]=[N-])[C@@H](O)[C@]1([C@H](O)c2ccccc2)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000028822312 JK Annotated Clean CC[C@@H](N=[N+]=[N-])[C@@H](O)[C@@]1([C@H](O)c2ccccc2)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000028822313 JK Annotated Clean CC[C@H](N=[N+]=[N-])[C@H](O)[C@]1([C@@H](O)c2ccccc2)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000028822314 JK Annotated Clean CC[C@H](N=[N+]=[N-])[C@H](O)[C@@]1([C@@H](O)c2ccccc2)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000028822315 JK Annotated Clean CCC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@@]12Cc1ccc(Br)cc1 ZINC000028822393 JK Annotated Anodyne O=C1C(c2cc(Cl)cc(Cl)c2)=C(C2CC2)[C@]2(Cc3ccc(Br)cc3)CCCN12 ZINC000028822394 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N=C2O)c1SCc1ccc(C(C)(C)C)cc1 ZINC000028822810 JK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(-c2ccccc2)nn(-c2ccccc2)c1SCc1cccs1 ZINC000028822830 JK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(-c2ccccc2)nn(-c2ccccc2)c1SCc1ccco1 ZINC000028822831 JK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(-c2ccccc2)nn(C2CCCCC2)c1SCc1ccco1 ZINC000028822832 JK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(C(F)(F)F)nn(-c2ccccc2)c1OCCc1ccc(F)cc1 ZINC000028822872 JK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(C(F)(F)F)nn(-c2ccccc2)c1OCCc1cccs1 ZINC000028822874 JK Annotated Anodyne CC(C)(C)OC(=O)n1c(-c2ccc(CCc3ccc(-c4ccccn4)s3)cc2)cc2ccccc21 ZINC000028822977 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nnc4sc(-c5ccc(Cl)cc5Cl)nn34)ccc2c1 ZINC000028823124 JK Annotated Anodyne COc1ccc2cc([C@H](C)c3nnc4sc(-c5ccc(Cl)cc5Cl)nn34)ccc2c1 ZINC000028823125 JK Annotated Anodyne CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028823181 JK Annotated Anodyne CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028823182 JK Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823228 JK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823229 JK Annotated Anodyne C[C@H](c1ccc2ccccc2c1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823233 JK Annotated Anodyne C[C@@H](c1ccc2ccccc2c1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823234 JK Annotated Anodyne Cc1cc(OC/C=C\[C@@H](C#Cc2ccccn2)c2ccc(Br)cc2)ccc1OCC(=O)O ZINC000028823265 JK Annotated Mild Cc1cc(OC/C=C\[C@H](C#Cc2ccccn2)c2ccc(Br)cc2)ccc1OCC(=O)O ZINC000028823266 JK Annotated Mild Cc1cc2cc([C@H](C#Cc3ccc(C)s3)/C=C\COc3ccc(OCC(=O)O)c(C)c3)ccc2o1 ZINC000028823288 JK Annotated Mild Cc1cc2cc([C@@H](C#Cc3ccc(C)s3)/C=C\COc3ccc(OCC(=O)O)c(C)c3)ccc2o1 ZINC000028823289 JK Annotated Mild CCc1ccccc1N(Cc1nnc(Cc2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(C)cc1 ZINC000028823311 JK Annotated Anodyne CCOc1ccc(Cc2nnc(CN(c3ccccc3CC)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823313 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccc(F)cc3)o2)c2cccc(Cl)c2C)cc1 ZINC000028823355 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccccc3F)o2)c2cccc(Cl)c2C)cc1 ZINC000028823358 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3cccc(F)c3)o2)c2cccc(Cl)c2C)cc1 ZINC000028823360 JK Annotated Anodyne COc1ccc(Nc2nnc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823391 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000028824445 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@H](CC(=O)NCCc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000028824446 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@@H](Cc3ccccc3)C(=O)c3ccccc32)nc2ccccc21 ZINC000028824527 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@H](Cc3ccccc3)C(=O)c3ccccc32)nc2ccccc21 ZINC000028824528 JK Annotated Anodyne CCCc1cc2c(cc1C)[C@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2Cc1ccccc1 ZINC000028824777 JK Annotated Clean CCCc1cc2c(cc1C)[C@@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2Cc1ccccc1 ZINC000028824778 JK Annotated Clean COC(=O)C[C@H]1c2ccccc2N=C(N(C)CCCCCN(C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028824847 JK Annotated Anodyne COC(=O)C[C@@H]1c2ccccc2N=C(N(C)CCCCCN(C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028824848 JK Annotated Anodyne O=C(Nc1ccccc1)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028825003 JK Annotated Bother CNCc1cc(C#CCCN2CCCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825168 JK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=O)[C@@]3(C)CC[C@H]21 ZINC000028825502 JK Annotated Reactive COC(=O)[C@@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825507 JK Annotated Mild C=CCCOc1ccccc1/C=C/c1c(C(=O)O)c(OC)cc2c1C(=O)c1c(OC)cccc1C2=O ZINC000028825674 JK Annotated Mild O=C(O)/C(Br)=C\c1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1 ZINC000028825698 JK Annotated Anodyne NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 ZINC000028825920 JK Annotated Anodyne O[C@@](Cc1ccnc2ccccc12)(C[C@@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826177 JK Annotated Anodyne O[C@](Cc1ccnc2ccccc12)(C[C@@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826178 JK Annotated Anodyne O[C@@](Cc1ccnc2ccccc12)(C[C@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826179 JK Annotated Anodyne O[C@](Cc1ccnc2ccccc12)(C[C@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826180 JK Annotated Anodyne CC(=O)O[C@@H]1C=C2/C(=N/O)C[C@H]3[C@@H]4C[C@H](C(C)=O)[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000028826375 JK Annotated Mild CC(=O)O[C@@H]1C=C2/C(=N/O)C[C@H]3[C@@H]4C[C@@H](C(C)=O)[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000028826376 JK Annotated Mild CC(=O)[C@H]1C[C@H]2[C@@H]3C/C(=N\O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)CCCC(C)C ZINC000028826377 JK Annotated Mild CC(=O)[C@@H]1C[C@H]2[C@@H]3C/C(=N\O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)CCCC(C)C ZINC000028826378 JK Annotated Mild O[C@H]1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826461 JK Annotated Anodyne O[C@@H]1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826462 JK Annotated Anodyne Cc1cc(NC(=O)CCl)sc1-c1nnc2n1NC(c1ccccc1)=C(c1ccccc1)S2 ZINC000028826934 JK Annotated Reactive O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2Nc2nc4ccccc4nc2S3)s1 ZINC000028826990 JK Annotated Reactive O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4ccccc4)nn23)s1 ZINC000028827009 JK Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)s1 ZINC000028827010 JK Annotated Bother O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)s1 ZINC000028827013 JK Annotated Reactive CC(C)C1=N[C@H]2CC=C3C[C@@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000028827197 JK Annotated Anodyne CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)O)s1 ZINC000028827353 JK Annotated Anodyne CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)O)s1 ZINC000028827354 JK Annotated Anodyne CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)OC)s1 ZINC000028827357 JK Annotated Anodyne CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)OC)s1 ZINC000028827358 JK Annotated Anodyne COC(C)(C)CCC[C@@H](C)c1cnc(NC(=O)[C@H](C)NC(=O)CCc2cc(F)cc(F)c2)s1 ZINC000028827359 JK Annotated Anodyne COC(C)(C)CCC[C@H](C)c1cnc(NC(=O)[C@H](C)NC(=O)CCc2cc(F)cc(F)c2)s1 ZINC000028827360 JK Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NCCC(C)(C)C)s1 ZINC000028827398 JK Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NCCC(C)(C)C)s1 ZINC000028827399 JK Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CC(C)(C)C)s1 ZINC000028827419 JK Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)CC(C)(C)C)s1 ZINC000028827420 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(-c2ccncn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000028862707 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2ccncn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000028862709 JK Annotated Anodyne CC(C)(O)c1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@@H](O)C(F)(F)F)c1 ZINC000028862745 JK Annotated Mild CC(C)(O)c1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@H](O)C(F)(F)F)c1 ZINC000028862747 JK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(-c2ccncc2)c1)C(F)(F)F ZINC000028862751 JK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(-c2ccncc2)c1)C(F)(F)F ZINC000028862753 JK Annotated Mild COc1ccc(CCCSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862839 JK Annotated Anodyne COc1ccc(CCCSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862841 JK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862940 JK Annotated Bother Cc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc(N(C)C)cc2)[nH]c1=O ZINC000028862942 JK Annotated Clean CCc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc(C#N)cc2)[nH]c1=O ZINC000028862944 JK Annotated Mild CCc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc(OC)cc2)[nH]c1=O ZINC000028862946 JK Annotated Anodyne CCc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862948 JK Annotated Bother COc1ccc(/C=C/CSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862951 JK Annotated Anodyne COc1ccc(/C=C/CSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862953 JK Annotated Anodyne Cc1c([C@H](C)c2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862955 JK Annotated Bother Cc1c([C@@H](C)c2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862957 JK Annotated Bother CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862986 JK Annotated Bother CCc1c([C@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862988 JK Annotated Bother COc1ccc(C#CCSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862996 JK Annotated Mild COc1ccc(C#CCSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862998 JK Annotated Mild COc1ccc(COCCSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028863010 JK Annotated Anodyne COc1ccc(COCCSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028863012 JK Annotated Anodyne COc1ccc(COCCSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028863014 JK Annotated Anodyne CCc1c([C@@H](C)c2c(F)cccc2F)nc(SCCOCc2ccc(OC)cc2)[nH]c1=O ZINC000028863027 JK Annotated Anodyne CCc1c([C@H](C)c2c(F)cccc2F)nc(SCCOCc2ccc(OC)cc2)[nH]c1=O ZINC000028863029 JK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)c1ccc3c(c1)OCO3)C2 ZINC000028863180 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccc4c(c3)OCO4)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000028863182 JK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)c3ccc4c(c3)OCO4)C1)[C@H](c1ccccc1)C2 ZINC000028863184 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccc4c(c3)OCO4)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000028863186 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863188 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863189 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863191 JK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863193 JK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)/C=C/c1ccccc1)C2 ZINC000028863203 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)/C=C/c3ccccc3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000028863205 JK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)/C=C/c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000028863207 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)/C=C/c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000028863209 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863210 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863212 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863214 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863216 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863217 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863219 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863221 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863223 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863252 JK Annotated Anodyne CCN(CC)CC(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863254 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863256 JK Annotated Anodyne CCN(CC)CC(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863258 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863262 JK Annotated Anodyne CCN(CC)CC(=O)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863264 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863266 JK Annotated Anodyne CCN(CC)CC(=O)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863268 JK Annotated Anodyne CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000028863531 JK Annotated Anodyne O=C(NCc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1)Nc1ncc(Sc2ccccn2)s1 ZINC000028864104 JK Annotated Anodyne C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCC[C@@H]2CO)CCC[C@@H]1CO ZINC000028865219 JK Annotated Bother O=C(/C=C/C(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000028865249 JK Annotated Mild Cc1ccc(NC(=O)/C=C/C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1 ZINC000028865258 JK Annotated Mild Cc1ccc(NC(=O)/C=C/C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1C ZINC000028865262 JK Annotated Mild Cc1cccc(C)c1NC(=O)/C=C/C(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000028865307 JK Annotated Mild N=c1sc2ccccc2n1CCCCCCCCCCCCn1c(=N)sc2ccccc21 ZINC000028865335 JK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC)ccc(OC)c2c1 ZINC000028869873 JK Annotated Mild O=C1Cc2ccccc2C(=C2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccsc21 ZINC000028869911 JK Annotated Anodyne C=C1[C@H](O)C[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC)ccc(OC)c2c1 ZINC000028869930 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@]1(O)CCc1ccc2c(OC)ccc(OC)c2c1 ZINC000028869952 JK Annotated Mild C=C1C(=O)C[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC)ccc(OC)c2c1 ZINC000028869986 JK Annotated Mild CC(C)NC(=N)c1ccc2cc(CCCCc3cc4ccc(C(=N)NC(C)C)cc4o3)oc2c1 ZINC000028870131 JK Annotated Anodyne CC(C)NC(=N)c1ccc2oc(CCCCCc3cc4cc(C(=N)NC(C)C)ccc4o3)cc2c1 ZINC000028870142 JK Annotated Anodyne CC(C)NC(=N)c1ccc2cc(CCCCCc3cc4ccc(C(=N)NC(C)C)cc4o3)oc2c1 ZINC000028870163 JK Annotated Anodyne C[C@@H]1CN(C)CC[C@@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000028872520 JK Annotated Anodyne in-vitro C[C@H]1CN(C)CC[C@@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000028872525 JK Annotated Anodyne in-vitro Cc1cnccc1/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000028872536 JK Annotated Anodyne Cc1cnccc1/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000028872540 JK Annotated Anodyne Cc1cnccc1CC[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000028872552 JK Annotated Anodyne Cc1cnccc1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000028872556 JK Annotated Anodyne C[C@@H]1CN(C)CC[C@@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000028872584 JK Annotated Anodyne C[C@H]1CN(C)CC[C@@H]1CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000028872588 JK Annotated Anodyne CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC3=C[C@@H]1O)CC[C@]1(C)[C@@H](c2ccc3ccncc3c2)CC[C@@H]41 ZINC000028872596 JK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C\C(C)=C\CCC/C=C/C)OC1=O ZINC000028874037 JK Annotated Mild CCOCn1c(=O)n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 ZINC000028874663 JK Annotated Anodyne CCOCn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 ZINC000028874668 JK Annotated Anodyne CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1 ZINC000028875776 JK Annotated Anodyne CCCCCCC(C)(C)c1ccccc1/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO ZINC000028875818 JK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCN=[N+]=[N-])c1 ZINC000028875833 JK Annotated Clean CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1 ZINC000028875842 JK Annotated Anodyne CC(=O)N1CCCC2=C(C[C@H]3CCC[C@H](CC4=C5CCCN(C)[C@H]5C[C@@H](C)C4)N3)C[C@H](C)C[C@@H]21 ZINC000028876474 JK Annotated Anodyne CC(=O)N1CCCC2=C(C[C@H]3CCC[C@H](CC4=C5CCCN(C)[C@H]5C[C@H](C)C4)N3)C[C@H](C)C[C@@H]21 ZINC000028876479 JK Annotated Anodyne in-vivo COC(=O)[C@H](CCSC)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878362 JK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878825 JK Annotated Anodyne CN(C)CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 ZINC000028879152 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H]3Cc4ccccc4CN3[C@@H](Cc3cccc4ccccc34)[C@H](C2)N1C ZINC000028880563 JK Annotated Anodyne Fc1ccccc1-c1nc(COc2ccc3c(c2)[C@H](N2CCN(C4CCCC4)CC2)CC3)no1 ZINC000028880889 JK Annotated Anodyne Fc1ccccc1-c1nc(COc2ccc3c(c2)[C@@H](N2CCN(C4CCCC4)CC2)CC3)no1 ZINC000028880896 JK Annotated Anodyne OCC1(NCCC[C@@H]2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CCCC1 ZINC000028880932 JK Annotated Anodyne OCC1(NCCC[C@H]2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CCCC1 ZINC000028880940 JK Annotated Anodyne OC[C@@H]1CCCN(CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000028880951 JK Annotated Anodyne OC[C@H]1CCCN(CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000028880958 JK Annotated Anodyne OC[C@@H]1CCCN(CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000028880972 JK Annotated Anodyne OC[C@H]1CCCN(CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000028880980 JK Annotated Anodyne OC[C@@H]1CCCN(CCC[C@@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000028880987 JK Annotated Anodyne OC[C@H]1CCCN(CCC[C@@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000028880994 JK Annotated Anodyne CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)[C@@H]1CCN(C2C[C@H](C)[C@H](C)C2)C1 ZINC000028881000 JK Annotated Anodyne CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)[C@H]1CCN(C2C[C@H](C)[C@H](C)C2)C1 ZINC000028881008 JK Annotated Anodyne Cc1c(N2CC(O)=NS2(=O)=O)csc1-c1cccc(NC2CC(C)(C)CC(C)(C)C2)c1 ZINC000028886854 JK Annotated Anodyne CCCCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 ZINC000028888590 JK Annotated Clean Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3ccc(-c4ccc(-c5csnn5)cc4)o3)S2)cc1 ZINC000028888625 JK Annotated Clean Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccc(-c4nc(C(C)(C)C)cs4)cc3)S2)cc1 ZINC000028888755 JK Annotated Mild Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cccnc2NC2CCCC2)cc1 ZINC000028890313 JK Annotated Anodyne Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccc(NC3CCCC3)nc2)cc1 ZINC000028890356 JK Annotated Anodyne Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cc(NC3CCCC3)ncn2)cc1 ZINC000028890375 JK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2ccccc2C(=O)O)c1O ZINC000028892016 JK Annotated Anodyne COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 ZINC000028893399 JK Annotated Anodyne COc1ccc2nccc([C@H]3CN(C4CCN(Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 ZINC000028893404 JK Annotated Anodyne COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1 ZINC000028893647 JK Annotated Anodyne COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1 ZINC000028893653 JK Annotated Anodyne CCOC(=O)CC(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1 ZINC000028896820 JK Annotated Mild O=C(O)CCNc1cc(-c2ccc(-c3ccccc3CN3CCOCC3)cc2)nc2ccccc12 ZINC000028897270 JK Annotated Anodyne O=C1N/C(=C\c2ccc(CNC3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899225 JK Annotated Anodyne O=C1N/C(=C\c2ccc(CNCc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899232 JK Annotated Anodyne Cc1ccc(-c2ncc(C(=O)N[C@@H](C)COc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000028900259 JK Annotated Anodyne Cc1ccc(-c2ncc(C(=O)N[C@H](C)COc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000028900264 JK Annotated Anodyne CC[C@@H](COCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000028900268 JK Annotated Anodyne CC[C@H](COCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000028900273 JK Annotated Anodyne N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1cc(F)cc(F)c1 ZINC000028902922 JK Annotated Mild CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 ZINC000028903403 JK Annotated Anodyne C[C@@H](OC(=O)Nc1cnoc1-c1ccc(CSCCC(=O)O)cc1)c1ccccc1Cl ZINC000028903510 JK Annotated Anodyne C[C@H](OC(=O)Nc1cnoc1-c1ccc(CSCCC(=O)O)cc1)c1ccccc1Cl ZINC000028903515 JK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)O)cc1)c1ccccc1Cl ZINC000028903529 JK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCS(=O)(=O)O)cc1)c1ccccc1Cl ZINC000028903580 JK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCS(=O)(=O)O)cc1)c1ccccc1Cl ZINC000028903585 JK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(=O)O)cc1)c1ccccc1Cl ZINC000028903651 JK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(=O)O)cc1)c1ccccc1Cl ZINC000028903656 JK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(CCSCC(=O)O)cc1)c1ccccc1Cl ZINC000028903672 JK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)O)cc1)C1=C(Cl)CCCC1 ZINC000028903677 JK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)O)cc1)C1=C(Cl)CCCC1 ZINC000028903681 JK Annotated Anodyne CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 ZINC000028903760 JK Annotated Anodyne Cc1cc(C)c(-n2c3ncccc3n3c(CN4CC[C@@H](c5ccccc5)C4)c(C)nc23)c(Cl)c1 ZINC000028903772 JK Annotated Anodyne Cc1cc(C)c(-n2c3ncccc3n3c(CN4CC[C@H](c5ccccc5)C4)c(C)nc23)c(Cl)c1 ZINC000028903777 JK Annotated Anodyne Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCC[C@@H]4Cc4ccccc4)c(C)nc23)c(Cl)c1 ZINC000028903782 JK Annotated Anodyne Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCC[C@H]4Cc4ccccc4)c(C)nc23)c(Cl)c1 ZINC000028903786 JK Annotated Anodyne Cc1ccc(-c2cc(C(F)(F)F)n3nc4c(C#N)c(C(F)(F)F)cc(-c5ccccc5)c4c3n2)cc1 ZINC000028948262 JK Annotated Mild N#Cc1c(C(F)(F)F)cc(-c2ccccc2)c2c1nn1c(C(F)(F)F)cc(-c3ccccc3)nc21 ZINC000028948268 JK Annotated Mild N#Cc1c(-c2ccccc2)cc(C(F)(F)F)c2c1nn1c(C(F)(F)F)cc(-c3ccccc3)nc21 ZINC000028948316 JK Annotated Mild COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000028949070 JK Annotated Bother N#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC(F)(F)F)cc1)CCCCC3 ZINC000028949347 JK Annotated Mild CCC(CC)(c1ccc(OC(=O)N2CCCCCCC2)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950213 JK Annotated Anodyne COc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OC)c(F)c2)cc1F ZINC000028950493 JK Annotated Anodyne COc1cc(/C=C/C(=O)OC2=CC(=O)c3ccccc3C2=O)ccc1OC/C=C(\C)CCC=C(C)C ZINC000028951070 JK Annotated Mild COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4ccc(S(C)(=O)=O)cc4Cl)C3)nc2c1 ZINC000028951129 JK Annotated Anodyne COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5ccc(OC(F)F)cc45)C3)nc2c1 ZINC000028951145 JK Annotated Anodyne COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5c4ccc4cccnc45)C3)nc2c1 ZINC000028951160 JK Annotated Anodyne COC(=O)c1ccccc1OC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000028951164 JK Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(Br)ccc21 ZINC000028952156 JK Annotated Anodyne Cc1cc2c(cc1-c1cc(CCC(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952252 JK Annotated Anodyne Cc1cc2c(cc1-c1cc([C@@H]3C[C@@H]3C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952279 JK Annotated Anodyne Cc1cc2c(cc1-c1cc([C@H]3C[C@@H]3C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952281 JK Annotated Anodyne Cc1cc2c(cc1-c1cc([C@@H]3C[C@H]3C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952282 JK Annotated Anodyne Cc1cc2c(cc1-c1cc([C@H]3C[C@H]3C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952284 JK Annotated Anodyne CCCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)O)ccc3OC(F)(F)F)cc21 ZINC000028952494 JK Annotated Anodyne Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952496 JK Annotated Anodyne O=C(Nc1nc(-c2cccc(Br)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952561 JK Annotated Anodyne CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(/C(C)=C/C(=O)O)ccc3OC(F)(F)F)cc21 ZINC000028952640 JK Annotated Anodyne COc1cc2c(cc1OC[C@H]1CC=CCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000028952692 JK Annotated Anodyne COc1cc2c(cc1OC[C@@H]1CCOC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000028952749 JK Annotated Anodyne COc1cc2c(cc1OC[C@H]1CCOC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000028952751 JK Annotated Anodyne CCN1CCC[C@@H](Oc2cc3c(cc2OC)Cc2c-3n[nH]c2-c2ccc(-c3ccc(O)cc3)cc2)C1 ZINC000028952782 JK Annotated Anodyne CCN1CCC[C@H](Oc2cc3c(cc2OC)Cc2c-3n[nH]c2-c2ccc(-c3ccc(O)cc3)cc2)C1 ZINC000028952784 JK Annotated Anodyne O=C(Nc1nc2c(s1)CCOc1c-2cccc1C(F)(F)F)c1ccc(Nc2ccncn2)cc1 ZINC000028952870 JK Annotated Anodyne O=C1C=C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)C[C@]2(Cc2ccccc2)CC1 ZINC000028953668 JK Annotated Mild O=C1C=C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)C[C@@]2(Cc2ccccc2)CC1 ZINC000028953670 JK Annotated Mild Cc1nc(N2CCN(c3ncccc3C(F)(F)F)CC2)[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000028953851 JK Annotated Anodyne FC(F)(F)c1ccc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2Cl)cc1 ZINC000028953853 JK Annotated Anodyne CC(C)Cc1cc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)nnc1-c1nc(C(C)C)co1 ZINC000028953896 JK Annotated Anodyne COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954147 JK Annotated Anodyne COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954148 JK Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1CC1CC1 ZINC000028954339 JK Annotated Anodyne NCCCc1cc2c(-c3ccc(Cl)cc3Cl)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 ZINC000028956074 JK Annotated Bother Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NCc1c(F)cccc1Cl ZINC000028957019 JK Annotated Anodyne Cc1[nH]nc2c1c(=O)n(CC(F)(F)CN)c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957077 JK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccc(Cl)cn4)c3c2)cc1 ZINC000028957623 JK Annotated Anodyne CC(C)N1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000028957629 JK Annotated Anodyne CC(C)N1CCC(COC[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2F)CC1 ZINC000028957730 JK Annotated Anodyne CC(C)N1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2F)CC1 ZINC000028957732 JK Annotated Anodyne O=C1NCCCC[C@H]1N(CCCCCCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957784 JK Annotated Anodyne CC(=O)Nc1cc(NC(C)=O)c2ccc(/C=C/c3ccccc3Br)nc2c1OC(C)=O ZINC000028957939 JK Annotated Anodyne CCCC(CCC)n1cc2c3c(nc(C)cc31)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028958475 JK Annotated Anodyne CCC(CC)n1cc2c3c(nc(C)cc31)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028958631 JK Annotated Anodyne CC(C)Cc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000028959598 JK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(N(C)C)n3)cccc2s1 ZINC000028961108 JK Annotated Anodyne COc1ccc(C(=O)/C=C/c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)cc1 ZINC000028966798 JK Annotated Mild CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1-3 ZINC000028966803 JK Annotated Mild COc1cc(C(=O)OCC(C)(C)CC2=CC(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000028966816 JK Annotated Mild CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1-3 ZINC000028966820 JK Annotated Mild COc1ccc(OC)c(C(=O)/C=C/c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)c1 ZINC000028966830 JK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)cc1OC ZINC000028966836 JK Annotated Mild CCOc1c(Cl)cc(N2CCCCC2)cc1NC(=O)c1cc(C)c(OC[C@@H](C)N)c(C)c1 ZINC000028966993 JK Annotated Clean CC(C)[C@@H]1N=C/C(=N/Oc2ccccc2)N1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028967301 JK Annotated Mild CC(C)[C@H]1N=C/C(=N/Oc2ccccc2)N1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028967306 JK Annotated Mild CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C[C@@H]3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C ZINC000028968317 JK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C[C@H]3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C ZINC000028968320 JK Annotated Anodyne O=C(c1ccc(Br)cc1NS(=O)(=O)c1csc2ccccc12)N1CCCCC1 ZINC000028969412 JK Annotated Anodyne C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C/[C@@H](O)C1)N(CCc1c[nH]c4ccccc14)C3=O)C2(C)C ZINC000028971410 JK Annotated Mild O=C(O)c1cc2oc3c(Oc4ccc(-c5ccc(O)c(O)c5)cc4O)cc(O)cc3c2cc1O ZINC000028971724 JK Annotated Clean C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@]1(C)[C@@H](Br)C[C@@H](O)[C@@](C)(O)[C@H]1C2 ZINC000028971886 JK Annotated Reactive CC/C(Br)=C/C=C\C1=C(Br)[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000028971890 JK Annotated Anodyne CCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028971993 JK Annotated Anodyne CCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028971998 JK Annotated Anodyne CCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972013 JK Annotated Anodyne CCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972018 JK Annotated Anodyne CCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972042 JK Annotated Anodyne CCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972047 JK Annotated Anodyne CCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972061 JK Annotated Anodyne CCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972066 JK Annotated Anodyne CCCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972080 JK Annotated Anodyne CCCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972083 JK Annotated Anodyne CCCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972095 JK Annotated Anodyne CCCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972100 JK Annotated Anodyne CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1C)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972153 JK Annotated Anodyne CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1C)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972155 JK Annotated Anodyne CC/C=C\C[C@H](CC/C=C\CCCCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1)OC(C)=O ZINC000028972221 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)c(CC=C(C)C)c2c1C[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000028972531 JK Annotated Mild C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000028972707 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000028973334 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000028973339 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@@H](CCCc1ccoc1)COP(=O)(O)O ZINC000028973345 JK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@H](CCCc1ccoc1)COP(=O)(O)O ZINC000028973351 JK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@@H]2CC[C@H](CCCCCCCCCCC(C)=O)N[C@@H]2C)ccc1O ZINC000028973413 JK Annotated Anodyne in-vitro biogenic COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000028976868 JK Annotated Mild COc1c(O)cc2c(c1C)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000028976871 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C(=N/OCC1CCCCC1)c1ccccc1)C(F)(F)F ZINC000028976914 JK Annotated Mild CC/C(=N\OCC1CCCCC1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C(F)(F)F ZINC000028976920 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C(=N/OC1CCCCC1)c1ccccc1)C(F)(F)F ZINC000028976964 JK Annotated Mild CC/C(=N\OCc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977088 JK Annotated Mild CC/C(=N\OCc1ccc(Br)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977091 JK Annotated Mild CC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977097 JK Annotated Mild CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977102 JK Annotated Mild CC/C(=N\OCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977106 JK Annotated Mild CC/C(=N\OCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977113 JK Annotated Mild CC/C(=N\OCc1cccc(Cl)c1Cl)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977117 JK Annotated Mild CC/C(=N\OCc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977122 JK Annotated Mild CC/C(=N\OCc1ccc(F)cc1F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977127 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C=N/OCc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000028977157 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C=N/OCc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000028977162 JK Annotated Mild C/C(=N\OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C(F)(F)F ZINC000028977168 JK Annotated Mild CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C(F)(F)F ZINC000028977173 JK Annotated Mild CC/C(=N\Oc1ccc(Br)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977189 JK Annotated Mild CC/C(=N\Oc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977204 JK Annotated Mild CC/C(=N\Oc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C(F)(F)F ZINC000028977210 JK Annotated Mild C/C(=N\Oc1ccc(Br)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977229 JK Annotated Mild C/C(=N\Oc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977244 JK Annotated Mild CC(C)/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977255 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C(=N/Oc1ccc(F)cc1)c1ccccc1)C(F)(F)F ZINC000028977264 JK Annotated Mild C[C@H](CCCNc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978176 JK Annotated Anodyne Cc1cc(C)c(N(C)c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)c(C)c1 ZINC000028979464 JK Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 ZINC000029037810 JK Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC(O)CC2)c2ccccc12 ZINC000029037838 JK Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC[C@@H](O)C2)c2ccccc12 ZINC000029037840 JK Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC[C@H](O)C2)c2ccccc12 ZINC000029037842 JK Annotated Anodyne O=C(O)c1ccc(/C=C(C(=C/c2ccc(C(=O)O)c3ccccc23)\[N+](=O)[O-])/[N+](=O)[O-])c2ccccc12 ZINC000029038133 JK Annotated Anodyne CC(C)(C)c1cc(/C=N/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)cc(C(C)(C)C)c1O ZINC000029038271 JK Annotated Mild CC(C)(C)c1cc(/C=N/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccccc2)cc(C(C)(C)C)c1O ZINC000029038273 JK Annotated Mild CCCCN(CCCC)CCCNc1nc(NC2CC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038783 JK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC2CCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038789 JK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC2CCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038794 JK Annotated Anodyne CCN(CC)CCCNc1nc(NCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038882 JK Annotated Anodyne CCN(CC)CCCNc1nc(NCCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038883 JK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038886 JK Annotated Anodyne CCN(CC)CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038896 JK Annotated Anodyne CN1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038929 JK Annotated Anodyne CN1CCC[C@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038932 JK Annotated Anodyne CCC[C@H](C)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039164 JK Annotated Anodyne CCC[C@H](C)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(O[C@@H](C)CCC)c1O ZINC000029039166 JK Annotated Anodyne CCC[C@@H](C)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039168 JK Annotated Anodyne CCC(CC)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(OC(CC)CC)c1O ZINC000029039174 JK Annotated Anodyne CCCOc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OCCC)c1O ZINC000029039191 JK Annotated Anodyne CCN(CC)CCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039265 JK Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2c1 ZINC000029040339 JK Annotated Anodyne O=C1C=C(Oc2ccc(Br)cc2Br)C(=O)c2cc3ccccc3cc21 ZINC000029041074 JK Annotated Mild N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCC/C(O)=N/S(=O)(=O)Nc3ccccc3)c2c1 ZINC000029041453 JK Annotated Mild C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)N[C@]3(C)CC[C@@H]4[C@H]([C@@H]5[C@H](C)CC[C@H]53)C4(C)C)[C@@H]12 ZINC000029042381 JK Annotated Mild CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1 ZINC000029043718 JK Annotated Anodyne CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C(C)C)cc1 ZINC000029043838 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2cccs2)C1 ZINC000029044241 JK Annotated Anodyne CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000029044957 JK Annotated Anodyne Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCC3)cc2)n(-c2ccccc2Cl)n1 ZINC000029045095 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3nc4cccc(Cl)c4s3)ccc2Cl)c1 ZINC000029045279 JK Annotated Mild C[C@@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045458 JK Annotated Mild C[C@@](C#N)(COc1ccc(C#N)cc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045467 JK Annotated Mild C[C@](C#N)(COc1ccc(C#N)cc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045470 JK Annotated Mild CC1=C(/C=C/C2=Cc3ncnc(N)c3[C@@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000029045716 JK Annotated Anodyne CC1=C(/C=C/C2=Cc3ncnc(N)c3[C@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000029045717 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Cc2ncnc(N)c21 ZINC000029045885 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Cc2ncnc(N)c21 ZINC000029045888 JK Annotated Anodyne C[C@@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=Cc2ncnc(N)c21 ZINC000029045891 JK Annotated Anodyne C[C@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=Cc2ncnc(N)c21 ZINC000029045894 JK Annotated Anodyne CCOc1ccc(Cc2nc3cc([S@@](=O)CC)c(Cl)cc3n2CC2CCCCC2)cc1 ZINC000029046815 JK Annotated Anodyne CCOc1ccc(Cc2nc3cc([S@](=O)CC)c(Cl)cc3n2CC2CCCCC2)cc1 ZINC000029046818 JK Annotated Anodyne CCOc1ccc(Cc2nc3cc(S(=O)(=O)CC)c(Cl)cc3n2CC2CCCCC2)cc1 ZINC000029046821 JK Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)c3c(Cl)cccc3Cl)ccc2n1CC1CCOCC1 ZINC000029048296 JK Annotated Anodyne COC(=O)c1c(Cl)ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1C ZINC000029050481 JK Annotated Anodyne COc1cc2c(cc1OCCCn1c(-c3ccco3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000029050746 JK Annotated Anodyne COc1cc2c(cc1OCCCn1c(-c3cccs3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000029052323 JK Annotated Anodyne COc1cc2c(cc1OCCCCCn1c(-c3ccco3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000029052333 JK Annotated Anodyne COc1cc2c(cc1OCCCCn1c(-c3ccco3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000029052420 JK Annotated Anodyne CCCCN(CCCC)CCCn1c(=O)c2c3ccccc3n(C)c2n2nnc(-c3ccccc3)c12 ZINC000029052432 JK Annotated Bother CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cccc2cc(OC)ccc12 ZINC000029052934 JK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cccc2cc(OC)ccc12 ZINC000029052938 JK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2cccc(C(F)(F)F)c2C1 ZINC000029053826 JK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2cccc(C(F)(F)F)c2C1 ZINC000029053829 JK Annotated Anodyne CO[C@H]1CCCN1C(=O)c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2 ZINC000029053886 JK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2cccc(C(=O)OC)c2C1 ZINC000029054037 JK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2cccc(C(=O)OC)c2C1 ZINC000029054041 JK Annotated Anodyne O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCCCC1 ZINC000029054570 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3ncc(-c4ccccc4)[nH]3)c2c1 ZINC000029054657 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4cc(Cl)ccc4[nH]3)c2c1 ZINC000029054662 JK Annotated Anodyne CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1 ZINC000029056169 JK Annotated Anodyne CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000029057599 JK Annotated Anodyne O=c1c2c(-c3ccccc3)c3c(nc2nc2n(-c4ccccc4)nc(-c4ccccc4)n12)CCCC3 ZINC000029058395 JK Annotated Anodyne Cc1cc(=O)oc2c(CN3CCN(C/C=C/c4ccccc4)CC3)c(OC(=O)c3ccccc3)ccc12 ZINC000029062985 JK Annotated Anodyne COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1OC ZINC000029063014 JK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(CCO)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C ZINC000029064025 JK Annotated Anodyne Cn1c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs/c1=N\c1ccc(F)cc1F ZINC000029124594 JK Annotated Anodyne CCCCOc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000029124725 JK Annotated Anodyne CCc1c(-c2nnnn2C2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029125083 JK Annotated Anodyne Cn1c(CC(=O)Nc2ccc(C(F)F)cc2)cs/c1=N\c1ccc(Br)cc1 ZINC000029125227 JK Annotated Anodyne Cn1c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs/c1=N\c1cccc(Br)c1 ZINC000029125255 JK Annotated Anodyne C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3ccc(O)cc3Br)cccc2NC1=O ZINC000029125474 JK Annotated Clean C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3ccc(O)cc3Br)cccc2NC1=O ZINC000029125475 JK Annotated Clean C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3c(Cl)cc(O)cc3Cl)cccc2NC1=O ZINC000029125476 JK Annotated Clean C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3c(Cl)cc(O)cc3Cl)cccc2NC1=O ZINC000029125477 JK Annotated Clean C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N\c3ccc(O)c4ccccc34)cccc2NC1=O ZINC000029125562 JK Annotated Clean C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N\c3ccc(O)c4ccccc34)cccc2NC1=O ZINC000029125563 JK Annotated Clean C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N\c3c(O)ccc4ccccc34)cccc2NC1=O ZINC000029125564 JK Annotated Clean C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N\c3c(O)ccc4ccccc34)cccc2NC1=O ZINC000029125565 JK Annotated Clean COc1cc2c(cc1CCC(C)(C)O)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125903 JK Annotated Bother CC(C)n1c2ccc(C(=O)c3cccs3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000029125971 JK Annotated Anodyne COc1cc2c(cc1OCc1ccncc1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029126044 JK Annotated Bother CN(CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21)C(=O)c1ccccc1 ZINC000029126078 JK Annotated Anodyne CC(C)(C)c1csc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 ZINC000029126105 JK Annotated Anodyne CC1(C)O[C@H]2O[C@H](c3nc(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)[C@H](O)[C@H]2O1 ZINC000029126324 JK Annotated Anodyne CC(C)(C)c1ccc(C#Cc2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)cc1 ZINC000029126416 JK Annotated Mild Cc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127101 JK Annotated Anodyne Cc1ccc([C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127102 JK Annotated Anodyne O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccccc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029127104 JK Annotated Anodyne O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccccc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029127105 JK Annotated Anodyne O[C@@H]1CCc2c(Br)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 ZINC000029127338 JK Annotated Anodyne O[C@H]1CCc2c(Br)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 ZINC000029127339 JK Annotated Anodyne CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21 ZINC000029129046 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](CC(C)C)NC23CCCCCC3)c2ncccc2c1 ZINC000029129072 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](CC(C)C)NC23CCCCCC3)c2ncccc2c1 ZINC000029129073 JK Annotated Anodyne N/C(=N/C(=O)Cn1c(-c2ccccc2)ccc1C12CC3CC(CC(C3)C1)C2)NCCc1ccsc1 ZINC000029129638 JK Annotated Mild N/C(=N/C(=O)Cn1c(-c2ccccc2)ccc1C12CC3CC(CC(C3)C1)C2)NCCc1cccs1 ZINC000029129713 JK Annotated Mild COc1cc(-c2ccc(-c3ccc(/N=N/c4ccccn4)c(OC)c3)o2)ccc1/N=N/c1ccccn1 ZINC000029129725 JK Annotated Clean COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](OCCC(C)C)c2ccccc2-3)cc1 ZINC000029130157 JK Annotated Anodyne COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](OCCC(C)C)c2ccccc2-3)cc1 ZINC000029130158 JK Annotated Anodyne CC(C)Cn1cnc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccc(F)cc3F)nc21 ZINC000029130339 JK Annotated Anodyne CC(C)Cn1cnc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccccc3)nc21 ZINC000029130573 JK Annotated Anodyne CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130742 JK Annotated Anodyne c1ccc(COc2ccc(-n3nc(-c4ccc(-c5ccccc5)cc4)n[n+]3-c3ccccc3)cc2)cc1 ZINC000029131121 JK Annotated Anodyne CCN(CC)CCNC(=O)c1cccc(Nc2c3ccccc3nc3sc(SC)nc23)c1 ZINC000029131163 JK Annotated Anodyne CC(C)(C)Cn1cnc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccc(F)cc3)nc21 ZINC000029131523 JK Annotated Anodyne Brc1cccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)c1 ZINC000029131605 JK Annotated Anodyne CC(C)(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4Cl)nc3-c3ccccc3)nc21 ZINC000029131625 JK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)OC[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029131689 JK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)OC[C@@H]2[C@@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029131694 JK Annotated Anodyne C[C@@H](O[C@@H]1[C@@H](c2ccc(F)cc2)CN2C(=O)OC[C@H]12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029131841 JK Annotated Mild Clc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)C2c2ccco2)cc1Cl ZINC000029132152 JK Annotated Anodyne CCOC(=O)c1c(N)sc(-c2ccc(-c3ccncc3)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132347 JK Annotated Anodyne CC(C)(C)c1ccc(CCNC(=S)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)cc1 ZINC000029132733 JK Annotated Clean Nc1sc(-c2ccc(Cl)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 ZINC000029132754 JK Annotated Anodyne Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 ZINC000029132756 JK Annotated Bother C[C@@H](O[C@@H]1[C@@H](c2ccc(F)cc2)CN2C(=O)OC[C@@H]12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029132773 JK Annotated Mild CC(=O)c1cccc(-c2sc(N)c(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)c1 ZINC000029132813 JK Annotated Anodyne CC(=O)c1ccc(-c2sc(N)c(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)cc1 ZINC000029132815 JK Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@@H]4OCC)O[C@H](C)CC3=O ZINC000029132859 JK Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@@H]4OCC)O[C@@H](C)CC3=O ZINC000029132861 JK Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@H]4OCC)O[C@H](C)CC3=O ZINC000029132863 JK Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@H]4OCC)O[C@@H](C)CC3=O ZINC000029132865 JK Annotated Bother COc1cc(-c2cc(=O)oc3c4c(c5c(c23)OC(C)(C)C=C5)O[C@H](C)CC4=O)cc(OC)c1OC ZINC000029132965 JK Annotated Anodyne COc1cc(-c2cc(=O)oc3c4c(c5c(c23)OC(C)(C)C=C5)O[C@@H](C)CC4=O)cc(OC)c1OC ZINC000029132966 JK Annotated Anodyne C[C@@H]1CC(=O)c2c(c3c(c4c(CCC(F)(F)F)cc(=O)oc24)O[C@H](c2ccccc2)C=C3)O1 ZINC000029133086 JK Annotated Anodyne C[C@H]1CC(=O)c2c(c3c(c4c(CCC(F)(F)F)cc(=O)oc24)O[C@H](c2ccccc2)C=C3)O1 ZINC000029133088 JK Annotated Anodyne C[C@@H]1CC(=O)c2c(c3c(c4c(CCC(F)(F)F)cc(=O)oc24)O[C@@H](c2ccccc2)C=C3)O1 ZINC000029133090 JK Annotated Anodyne C[C@H]1CC(=O)c2c(c3c(c4c(CCC(F)(F)F)cc(=O)oc24)O[C@@H](c2ccccc2)C=C3)O1 ZINC000029133092 JK Annotated Anodyne C[N+](C)(C)CCO[P@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1 ZINC000029133998 JK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OCCCCCC1CCCCCCCCCCCCCC1 ZINC000029134037 JK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCC=C1CCCCCCCCC1 ZINC000029134041 JK Annotated Bother Cc1cc(C)cc(NCc2ccc3nc(NCCc4ccccc4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134158 JK Annotated Anodyne C[N+](C)(C)CC#CCO[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000029134342 JK Annotated Mild Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134458 JK Annotated Anodyne Cc1cccc(/C=C/c2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134517 JK Annotated Anodyne Cc1cccc(CCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134519 JK Annotated Anodyne Cc1cccc(SCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134600 JK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1 ZINC000029134838 JK Annotated Anodyne CN(c1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000029135137 JK Annotated Bother COC(=O)CCCCC(=O)Nc1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1 ZINC000029135386 JK Annotated Bother CCOc1ccc(Nc2nc(NCCN(CC)CC)c3ccc(Cl)cc3n2)cc1CN(CC)CC ZINC000029204131 JK Annotated Anodyne O=C1c2ccccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)cc21 ZINC000029204287 JK Annotated Anodyne CC(=O)Nc1ccc(-c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn(CCO)c2=O)cc1 ZINC000029204847 JK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN2CCCC2)c1=O ZINC000029206318 JK Annotated Anodyne CCOC(=O)CCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029206407 JK Annotated Anodyne CN(C)c1ccc(-c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn(CCO)c2=O)cc1 ZINC000029207059 JK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN2CCCCC2)c1=O ZINC000029207598 JK Annotated Anodyne COc1cc(-c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n[nH]c2=O)cc(OC)c1OC ZINC000029210316 JK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccccc1 ZINC000029211435 JK Annotated Mild N#Cc1cc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1Oc1ccccc1 ZINC000029212919 JK Annotated Mild CC1=[N+](CCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@@H]2CC=CC=C2C(N)=C1 ZINC000029214645 JK Annotated Anodyne in-vivo CC1=[N+](CCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@H]2CC=CC=C2C(N)=C1 ZINC000029214650 JK Annotated Anodyne in-vivo CN1CCN(CCCCC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)CC1 ZINC000029216672 JK Annotated Clean CC1=[N+](CCCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@@H]2CC=CC=C2C(N)=C1 ZINC000029217054 JK Annotated Anodyne in-vivo CC1=[N+](CCCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@H]2CC=CC=C2C(N)=C1 ZINC000029217058 JK Annotated Anodyne in-vivo O=C(/N=c1\c2c([nH]c3ccccc13)N(Cc1ccccc1)CC2)c1c(F)cccc1C(F)(F)F ZINC000029217430 JK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)cc2)n2c1SCC2 ZINC000029218511 JK Annotated Anodyne Cc1cc(C)n(CCOCC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1 ZINC000029218817 JK Annotated Clean CN(CCCCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1)c1ccccn1 ZINC000029219920 JK Annotated Clean C=CCOc1nc(-c2ccc(CP(=O)(OCC)OCC)cc2)nc2ccc(Br)cc12 ZINC000029220500 JK Annotated Mild CCCOP(=O)(OCCC)O[C@@H](c1ccc(Cl)cc1)P(=O)(OCCC)OCCC ZINC000029222089 JK Annotated Anodyne CCCOP(=O)(OCCC)O[C@H](c1ccc(Cl)cc1)P(=O)(OCCC)OCCC ZINC000029222094 JK Annotated Anodyne CCC(=O)OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029222103 JK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2CC)cc1)OCC ZINC000029222163 JK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2C)cc1)OCC ZINC000029222416 JK Annotated Anodyne C=CCOc1nc(-c2ccc(CP(=O)(OCC)OCC)cc2)nc2cc(OC)c(OC)cc12 ZINC000029222754 JK Annotated Mild C=CCn1c(-c2ccc(CP(=O)(OCC)OCC)cc2)nc2ccc(Br)cc2c1=O ZINC000029222763 JK Annotated Mild CCOP(=O)(Cc1ccc(-c2nc(OC)c3cc(Br)ccc3n2)cc1)OCC ZINC000029223097 JK Annotated Anodyne COc1cc2nc(-c3ccc(CP(=O)(OC(C)C)OC(C)C)cc3)nc(OC)c2cc1OC ZINC000029223181 JK Annotated Anodyne COc1cc2nc(-c3ccc(CP(=O)(OC(C)C)OC(C)C)cc3)n(C)c(=O)c2cc1OC ZINC000029223679 JK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)C(C)(C)C)c1=O ZINC000029224838 JK Annotated Anodyne CC(C)OP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2C)cc1)OC(C)C ZINC000029224956 JK Annotated Anodyne C=CCn1c(-c2ccc(CP(=O)(OCC)OCC)cc2)nc2cc(OC)c(OC)cc2c1=O ZINC000029225875 JK Annotated Mild CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)C(C)C)c1=O ZINC000029226198 JK Annotated Anodyne Clc1ccc(N=c2ccn(CCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029229094 JK Annotated Anodyne Clc1ccc(N=c2ccn(CCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029229677 JK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029230459 JK Annotated Anodyne CCCCCc1cc(O)cc2c1Oc1c(C=O)c(O)c(Cl)c(C(=O)CCCC)c1C(=O)O2 ZINC000029231356 JK Annotated Anodyne c1cn(CCCCCCCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 ZINC000029232003 JK Annotated Anodyne c1cn(CCCCCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 ZINC000029232231 JK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029233020 JK Annotated Anodyne CCN(CC)C(=S)SC(C(=O)c1ccc(Br)cc1)=C1SCCCS1 ZINC000029234166 JK Annotated Mild CCCC[C@H](CC)CN=c1ccn(CCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029235044 JK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029235051 JK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029235058 JK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029235649 JK Annotated Anodyne Fc1ccc(N=c2ccn(CCCCCCCCn3ccc(=Nc4ccc(F)cc4)cc3)cc2)cc1 ZINC000029236164 JK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029237419 JK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029237425 JK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029237432 JK Annotated Anodyne Cc1cc(C(=O)c2ccc(Br)cc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)c1O ZINC000029237745 JK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029237850 JK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029237858 JK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029237865 JK Annotated Anodyne c1cn(CCCCCCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 ZINC000029237949 JK Annotated Anodyne Fc1ccc(N=c2ccn(CCCCCCn3ccc(=Nc4ccc(F)cc4)cc3)cc2)cc1 ZINC000029238057 JK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029238217 JK Annotated Anodyne Clc1ccc(N=c2ccn(CCCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029238642 JK Annotated Anodyne CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CSC[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029242708 JK Annotated Anodyne CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CSC[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029242714 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccccc1 ZINC000029244134 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000029244142 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccccc1 ZINC000029244148 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccccc1 ZINC000029244153 JK Annotated Anodyne COc1cc2c(cc1OC)-c1cc(Nc3c(Cl)cc(Cl)cc3Cl)nc(=O)n1CC2 ZINC000029246831 JK Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CCc2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000029249018 JK Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CCc2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000029249025 JK Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CCc2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029249031 JK Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CCc2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029249037 JK Annotated Anodyne O=C1[C@@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029251111 JK Annotated Bother O=C1[C@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029251118 JK Annotated Bother CCCOc1c(OCCC)c(OC(=O)C(C)(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)(C)C ZINC000029251281 JK Annotated Anodyne CCC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)CC)c2ccccc12 ZINC000029253410 JK Annotated Anodyne C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/C(C)=O)[C@H]1SSc1nc2ccccc2s1 ZINC000029254751 JK Annotated Reactive Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N ZINC000029306153 JK Annotated Mild O=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000029307480 JK Annotated Anodyne O=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000029307485 JK Annotated Anodyne O=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000029307491 JK Annotated Anodyne O=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000029307494 JK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(C(C)(C)C)cc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000029307868 JK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(C(C)(C)C)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000029307873 JK Annotated Anodyne Cc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029308599 JK Annotated Anodyne Cc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029308605 JK Annotated Anodyne CN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029310294 JK Annotated Anodyne CN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029310301 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C3CCCC3)CC2=O)c(C(C)(C)C)cc1N ZINC000029310629 JK Annotated Mild COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(SCC(=O)O)cc1 ZINC000029310778 JK Annotated Mild Cc1ccccc1/C=C1\CSC[C@@H]2C1=NN(CCCN1CCN(C)CC1)[C@H]2c1ccccc1C ZINC000029311175 JK Annotated Anodyne Cc1ccccc1/C=C1\CSC[C@H]2C1=NN(CCCN1CCN(C)CC1)[C@H]2c1ccccc1C ZINC000029311181 JK Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccc(F)cc3c12 ZINC000029311302 JK Annotated Anodyne CCCOc1c(OCCC)c(OC(=O)C(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)C ZINC000029312876 JK Annotated Anodyne COc1c(OC)c(OC(=O)c2ccccc2)c2cc(Cl)ccc2c1OC(=O)c1ccccc1 ZINC000029315525 JK Annotated Anodyne CC(C)Oc1c(OC(C)C)c(OC(=O)C(C)(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)(C)C ZINC000029315537 JK Annotated Anodyne O=C1O[C@@H](OP(=O)(Cc2cccc3ccccc23)O[C@@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000029316740 JK Annotated Anodyne O=C1O[C@@H](OP(=O)(Cc2cccc3ccccc23)O[C@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000029316745 JK Annotated Anodyne O=C1O[C@H](OP(=O)(Cc2cccc3ccccc23)O[C@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000029316753 JK Annotated Anodyne CCOc1c(OCC)c(OC(=O)C(C)(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)(C)C ZINC000029317097 JK Annotated Anodyne CCCOc1c(OCCC)c(OC(=O)CCC)c2cc(Cl)ccc2c1OC(=O)CCC ZINC000029317218 JK Annotated Anodyne CC(=O)O[C@H]1C(=O)N(c2cccc3cc4c(cc23)Cc2cc3ccccc3cc2-4)[C@H]1c1ccccc1 ZINC000029318254 JK Annotated Anodyne CC(=O)O[C@@H]1C(=O)N(c2cccc3cc4c(cc23)Cc2cc3ccccc3cc2-4)[C@H]1c1ccccc1 ZINC000029318260 JK Annotated Anodyne CSc1nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c(-c2ccccc2C(F)(F)F)n1 ZINC000029320356 JK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1)OCC ZINC000029320724 JK Annotated Anodyne Cn1ccc(=Nc2ccc(Cc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000029321712 JK Annotated Anodyne CC(=O)Nc1ccc2[nH]c(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 ZINC000029323126 JK Annotated Reactive CC(=O)Nc1ccc2[nH]c(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 ZINC000029323131 JK Annotated Reactive CC(C)(C)NC[C@@H](O)c1cc2cccc(CC(=O)OCCC34CC5CC(CC(C5)C3)C4)c2o1 ZINC000029324230 JK Annotated Anodyne CC(C)(C)NC[C@H](O)c1cc2cccc(CC(=O)OCCC34CC5CC(CC(C5)C3)C4)c2o1 ZINC000029324234 JK Annotated Anodyne CCCN(CC#CCCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1)CCC ZINC000029328178 JK Annotated Mild CCN(CC)CC#CCCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1 ZINC000029328183 JK Annotated Mild CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc(I)ccc12 ZINC000029332965 JK Annotated Clean CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc(Br)ccc12 ZINC000029332970 JK Annotated Clean CN(CCCC(C)(C)N=[N+]=[N-])[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000029337435 JK Annotated Anodyne CN(CCCC(C)(C)N=[N+]=[N-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000029337439 JK Annotated Anodyne CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(Br)cc2nc2c(OC)cccc12 ZINC000029339292 JK Annotated Clean COc1ccccc1CC(=N)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000029340306 JK Annotated Anodyne COc1ccccc1CC(=N)N1C[C@@H]2[C@H](C1)C(=O)CSC2(c1ccccc1)c1ccccc1 ZINC000029340309 JK Annotated Anodyne Cc1ccc(Cn2c(SCc3ccccc3)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 ZINC000029340639 JK Annotated Anodyne COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3)=CN21 ZINC000029341449 JK Annotated Anodyne COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3)=CN21 ZINC000029341452 JK Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCOC(=O)CCCCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000029341844 JK Annotated Bother CC1(C)[C@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)CC[C@]1(C)CC#CC(O)(C(F)(F)F)C(F)(F)F ZINC000029346337 JK Annotated Mild O[C@@H](CN(Cc1cccc(-c2cccs2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029347926 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2cccs2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029347930 JK Annotated Anodyne CC(C)(C)O/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000029389318 JK Annotated Mild O[C@@H](CN(Cc1cccc(-c2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389321 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389324 JK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CC[C@H](NCc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029389663 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3cc4ccccc4cn3)C[C@H]2Cc2ccccc2)c1 ZINC000029389793 JK Annotated Anodyne O[C@@H](CN(Cc1ccc(F)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389930 JK Annotated Anodyne O[C@H](CN(Cc1ccc(F)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389932 JK Annotated Anodyne Cc1ccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)cc1-c1ccco1 ZINC000029390157 JK Annotated Anodyne Cc1ccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)cc1-c1ccco1 ZINC000029390160 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(-c2ccncc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029390271 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2ccncc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029390274 JK Annotated Anodyne O=c1[nH]c2cc(C(F)(F)F)ccc2c(Cc2cccc(Cl)c2)c1NS(=O)(=O)C(F)(F)F ZINC000029390395 JK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cccc3c2C(=O)C=C(N2CC2)C3=O)c(C(C)C)c1 ZINC000029390986 JK Annotated Mild COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4cccc(C(=O)O)c4)CC[C@@H]3C2(C)C)cc1 ZINC000029391379 JK Annotated Anodyne COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4cccc(C(=O)O)c4)CC[C@H]3C2(C)C)cc1 ZINC000029391382 JK Annotated Anodyne COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccccc4C(=O)O)CC[C@@H]3C2(C)C)cc1 ZINC000029391916 JK Annotated Anodyne COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccccc4C(=O)O)CC[C@H]3C2(C)C)cc1 ZINC000029391919 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(-c2ncccn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029391978 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2ncccn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029391981 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(-c2ccoc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029392257 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2ccoc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029392261 JK Annotated Anodyne C=C1/C(=C\C=C\[C@@H]2CC[C@](C)(/C=C\CCC(O)(C(F)(F)F)C(F)(F)F)C2(C)C)C[C@@H](O)C[C@@H]1O ZINC000029392347 JK Annotated Mild COCCO/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000029392623 JK Annotated Mild O=C1N(CCCCCCOc2ccc(Br)cc2)CCN1c1ccnc(Cl)c1 ZINC000029392846 JK Annotated Anodyne CC(C)(C)C(=O)c1ccc(C(=O)O/C(=N\OCCCC(=O)O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000029392906 JK Annotated Mild Cn1cccc1-c1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000029392958 JK Annotated Anodyne Cn1cccc1-c1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000029392961 JK Annotated Anodyne CC(C)(C)C(=O)c1ccc(C(=O)N(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)C(=O)c2ccccn2)cc1 ZINC000029392978 JK Annotated Anodyne OC(c1ccccc1)(c1ccccc1)C1(CCC#CCN2CCCCC2)SCCCS1 ZINC000029393027 JK Annotated Mild C=C1/C(=C\C=C\[C@@H]2CC[C@](C)(CC#CC(O)(C(F)(F)F)C(F)(F)F)C2(C)C)C[C@@H](O)C[C@@H]1O ZINC000029393588 JK Annotated Mild CC[C@H](c1ccc(O)cc1)[C@@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393698 JK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393700 JK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393703 JK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393706 JK Annotated Anodyne CC(C)O/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000029393799 JK Annotated Mild C[C@]12C=CC(=O)C=C1C[C@@H](SC(=O)c1ccccc1)[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000029393901 JK Annotated Mild CCC(O)(CC)CCC[C@@H](C)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394898 JK Annotated Anodyne CCC(O)(CC)CCC[C@H](C)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394902 JK Annotated Anodyne CCC(O)(CC)CCC[C@@H](C)C[C@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394907 JK Annotated Anodyne CCC(O)(CC)CCC[C@H](C)C[C@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394911 JK Annotated Anodyne COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccc(C(=O)O)cc4)CC[C@@H]3C2(C)C)cc1 ZINC000029394918 JK Annotated Anodyne COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccc(C(=O)O)cc4)CC[C@H]3C2(C)C)cc1 ZINC000029394921 JK Annotated Anodyne O[C@@H](CN(Cc1cccc(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029395445 JK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029395448 JK Annotated Anodyne CCC(O)(C#CC[C@@H](C)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C)CC ZINC000029395625 JK Annotated Mild CCC(O)(C#CC[C@H](C)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C)CC ZINC000029395628 JK Annotated Mild CCC(O)(C#CC[C@@H](C)C[C@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C)CC ZINC000029395632 JK Annotated Mild CCC(O)(C#CC[C@H](C)C[C@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C)CC ZINC000029395634 JK Annotated Mild CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2C=C[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000029395855 JK Annotated Mild CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3cccc4ccccc34)c2)cccc1N(C)C ZINC000029396169 JK Annotated Anodyne CCOC(=O)[C@@H]1C(/C=C(\O)c2ccccc2)=NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000029396794 JK Annotated Mild CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc(N)c3C2=O)c1 ZINC000029396877 JK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc(N)c3C2=O)c1 ZINC000029396880 JK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc(N)c3C2=O)c1 ZINC000029396883 JK Annotated Anodyne CC[C@H](c1ccc(O)c(CCCN2C(=O)c3cccc(N)c3C2=O)c1)[C@@H](CC)c1ccc(O)cc1 ZINC000029396886 JK Annotated Anodyne CN(CCCn1cnc2cc(Cl)c(Cl)cc21)CCCn1cnc2cc(Cl)c(Cl)cc21 ZINC000029399512 JK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000029401619 JK Annotated Bother CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000029401623 JK Annotated Bother CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000029401627 JK Annotated Bother CC[C@H](c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@@H](CC)c1ccc(O)cc1 ZINC000029401631 JK Annotated Bother CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000029401639 JK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000029401643 JK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000029401647 JK Annotated Anodyne CC[C@H](c1ccc(O)c(CCCN2C(=O)c3ccccc3C2=O)c1)[C@@H](CC)c1ccc(O)cc1 ZINC000029401651 JK Annotated Anodyne CC(C)(C)C(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2C=C[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000029401969 JK Annotated Mild C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000029404155 JK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000029404158 JK Annotated Anodyne CN(CCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCNc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000029406445 JK Annotated Anodyne O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2c(F)c(F)c(F)c(F)c2F)O1 ZINC000029408510 JK Annotated Anodyne O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2c(F)c(F)c(F)c(F)c2F)O1 ZINC000029408513 JK Annotated Anodyne O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCCCC1)C2=O)c1ccccc1 ZINC000029410006 JK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c(=N)s2)c1 ZINC000029410682 JK Annotated Anodyne C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000029411044 JK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000029411047 JK Annotated Anodyne CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 ZINC000029411142 JK Annotated Anodyne CC(C)(C)CCCCN1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000029413001 JK Annotated Anodyne N=c1sc(-c2cc([N+](=O)[O-])ccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029416544 JK Annotated Bother N=c1sc(-c2cccc(Br)n2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029462840 JK Annotated Anodyne Cc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2ccc(/N=C(\N)c3ccccn3)cc2C)o1 ZINC000029463559 JK Annotated Mild N=c1sc(-c2cc(C(F)(F)F)ccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029464096 JK Annotated Mild N=c1sc(-c2ncc(C(F)(F)F)cc2Cl)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029464131 JK Annotated Anodyne Cc1cc(NC(=N)c2ccccc2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccc3)cc2C)o1 ZINC000029464521 JK Annotated Anodyne N=c1sc(-c2cc(Br)ccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029464970 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc(-c3cc4c(Cl)ccc(Cl)c4o3)[nH]2)c(Br)c1 ZINC000029465185 JK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000029465856 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000029465859 JK Annotated Mild N=C(Cc1ccc2ccccc2c1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000029465988 JK Annotated Anodyne CC(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 ZINC000029466691 JK Annotated Anodyne N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)cc3C(F)(F)F)o2)c(C(F)(F)F)c1 ZINC000029467234 JK Annotated Anodyne CSN1C(C#N)=CC=C/C1=C1\N=[N+](c2c(Cl)cc(C(F)(F)F)cc2Cl)C(=N)S1 ZINC000029467622 JK Annotated Reactive N=c1sc(-c2cncc(C(F)(F)F)c2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029467916 JK Annotated Anodyne N=c1sc(-c2ccccc2SC(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029467977 JK Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Br)cccc12 ZINC000029468883 JK Annotated Clean CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)ccc12 ZINC000029469562 JK Annotated Clean CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(OC)cccc12 ZINC000029469668 JK Annotated Clean C[C@@H](OC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000029470530 JK Annotated Bother C[C@H](OC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000029470534 JK Annotated Bother NC(=O)N1C(=O)/C(=C(/OC(=O)/C=C/c2ccccc2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029470567 JK Annotated Anodyne N=c1sc(-c2c(F)cccc2C(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029471243 JK Annotated Mild N=c1sc(-c2ccccc2OC(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029471248 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O)C(F)(F)F ZINC000029471949 JK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)C4CCCCC4)cc3)o2)cc1)C1CCCCC1 ZINC000029472305 JK Annotated Anodyne N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)cc3)o2)cc1)c1ccccn1 ZINC000029473231 JK Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(Cl)cc1)[C@H]2O ZINC000029475548 JK Annotated Anodyne CN(CC[C@]12CCCC[C@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc12)CC(=O)OC(C)(C)C ZINC000029476548 JK Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2c(C)cccc12 ZINC000029476704 JK Annotated Clean CN(C)Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 ZINC000029477199 JK Annotated Anodyne COc1cc(Cn2ccc3cc(OC)c(OC)c4c3c2cc[n+]4-c2ccccc2)cc(OC)c1OC ZINC000029478288 JK Annotated Anodyne O=c1c2cc(F)ccc2nc(/C=C/c2cccc(N3CCCCC3)n2)n1-c1ccccc1Cl ZINC000029479291 JK Annotated Anodyne C=C(C(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21)c1ccccc1OC ZINC000029480320 JK Annotated Anodyne CN(CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc12)CC(=O)OC(C)(C)C ZINC000029482708 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]2O ZINC000029483579 JK Annotated Anodyne COc1ccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2cccnc2C)c2ccc(OC)cc2)cc1 ZINC000029484812 JK Annotated Anodyne COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2C)c2ccc(OC)cc2)cc1 ZINC000029484815 JK Annotated Anodyne c1ccc(C(c2ccccc2)n2cc[n+]3c2[C@@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000029485882 JK Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2n(Cc3ccc4ccccc4c3)cc[n+]21 ZINC000029486000 JK Annotated Anodyne CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000029487786 JK Annotated Anodyne COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(CCCl)CCCl)c4cc3c2c1 ZINC000029547176 JK Annotated Reactive NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029548310 JK Annotated Bother NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029548315 JK Annotated Bother O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 ZINC000029549277 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3C1 ZINC000029550976 JK Annotated Anodyne CC(C)(C)c1cccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3ccc(I)cc32)c1 ZINC000029552645 JK Annotated Anodyne CC(C)(C)c1cccc([C@]2(c3ccc(O)cc3)C(=O)Nc3ccc(I)cc32)c1 ZINC000029552648 JK Annotated Anodyne O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 ZINC000029553779 JK Annotated Anodyne N[C@@H](COCc1cc(Br)cc(Br)c1)C(c1ccccc1)c1ccccc1 ZINC000029555691 JK Annotated Anodyne N[C@H](COCc1cc(Br)cc(Br)c1)C(c1ccccc1)c1ccccc1 ZINC000029555695 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(OC)c(OC)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000029555938 JK Annotated Anodyne COc1cc(/C=N\OC[C@H]2C[C@@H]2[C@@H]2C[C@]2(C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000029556755 JK Annotated Mild COc1cc(/C=N\OC[C@H]2C[C@@H]2[C@H]2C[C@]2(C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000029556759 JK Annotated Mild COc1cc(/C=N\OC[C@H]2C[C@@H]2[C@@H]2C[C@]2(C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000029556762 JK Annotated Mild COc1cc(/C=N\OC[C@H]2C[C@@H]2[C@H]2C[C@]2(C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000029556766 JK Annotated Mild COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@@H](O)c2cc3ccccc3o2)cc(OC)c1OC ZINC000029557073 JK Annotated Anodyne COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@H](O)c2cc3ccccc3o2)cc(OC)c1OC ZINC000029557077 JK Annotated Anodyne CC1(C)CC[C@@]2(C=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000029558394 JK Annotated Mild CC1(C)CC[C@@]2(C=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029558397 JK Annotated Mild CC1(C)CC[C@]2(C=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029558401 JK Annotated Mild OC(CCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000029559940 JK Annotated Anodyne Fc1ccc(N2c3ccc(F)cc3[C@H]3CN(CCn4c5ccccc5c5ccccc54)CC[C@@H]32)cc1 ZINC000029560247 JK Annotated Anodyne CC(C)(C)OC(=O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1 ZINC000029561164 JK Annotated Mild Oc1c(Br)cc(Br)cc1-c1n[nH]c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000029562199 JK Annotated Anodyne CCc1c(C)nc(O)c(NC(=O)CCCCCCCCC(=O)O)c1Cc1cc(C)cc(C)c1 ZINC000029563360 JK Annotated Anodyne CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(=O)OC)c1Cc1cc(C)cc(C)c1 ZINC000029564563 JK Annotated Anodyne Cc1cc(-c2cc(-c3ccccc3)cc(N(CCc3ccccc3)Cc3ccccc3)n2)ccc1O ZINC000029565601 JK Annotated Anodyne Oc1c(Br)cc(Br)cc1-c1n[nH]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000029566469 JK Annotated Anodyne COc1cc(NCCCCCCNC(C)C)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029569542 JK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000029569646 JK Annotated Anodyne C/C(=C\[C@H]1OC(C)(C)O[C@@H]1[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)/C(C(=O)O)=C/C[C@H]12)C(=O)O ZINC000029569905 JK Annotated Anodyne C/C(=C\[C@@H]1OC(C)(C)O[C@@H]1[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)/C(C(=O)O)=C/C[C@H]12)C(=O)O ZINC000029569907 JK Annotated Anodyne CN(CCCNc1nc2ccccc2n2cccc12)CCCNc1nc2ccccc2n2cccc12 ZINC000029571420 JK Annotated Anodyne C[C@@H]1C[C@H]([C@H]2OC2(C)C)O[C@@H]2C[C@@]3(C)C(=C12)CC[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000299805091 JK Annotated Anodyne C[C@@H]1C[C@H]([C@H]2OC2(C)C)O[C@@H]2C[C@@]3(C)C(=C12)CC[C@@H]1[C@]3(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000299805092 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@@](=O)CCc1ccccc1 ZINC000299805781 JK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@](=O)CCc1ccccc1 ZINC000299805782 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000299805999 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000299806000 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)/C(=N/O)C=C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000299806013 JK Annotated Mild CC1(C)/C(=N/O)C=C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000299806014 JK Annotated Mild CC1(C)/C(=N/O)C=C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000299806015 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)/C(=N/O)C=C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000299806016 JK Annotated Mild O=C(O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000299806593 JK Annotated Anodyne O=C(O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000299806594 JK Annotated Anodyne C[C@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H]3O[C@]312 ZINC000299806606 JK Annotated Anodyne NC(=O)CN1CC[C@]2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](c1ccc(Cl)cc1)C2 ZINC000299806649 JK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 ZINC000299806659 JK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000299806660 JK Annotated Anodyne CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000299806661 JK Annotated Anodyne CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 ZINC000299806662 JK Annotated Anodyne O=C(O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000299806713 JK Annotated Anodyne O=C(O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000299806714 JK Annotated Anodyne OCCN1CC[C@]2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](c1ccc(Cl)cc1)C2 ZINC000299806730 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2cccnc2)N(c2ccccc2)[C@H]1c1cccnc1 ZINC000299806813 JK Annotated Anodyne O=C(O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000299806852 JK Annotated Anodyne O=C(O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000299806853 JK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(F)cc2)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000299806881 JK Annotated Anodyne C[C@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@@]2(C)[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]312 ZINC000299806891 JK Annotated Anodyne [O-][N@@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 ZINC000299806924 JK Annotated Bother CC1(C)O[C@H]2C[C@@H]([C@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)C(=O)C[C@@]67C[C@@]57CC[C@]34C)C[C@H]1C2 ZINC000299807032 JK Annotated Anodyne Clc1ccc([C@@H]2C[C@@]3(N4CCCC4)CCN[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000299807053 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299807087 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299807088 JK Annotated Anodyne c1ccc2c(c1)N[C@@H]1CCCCC1=C2NCCCCCCCCN[C@@H]1CCN[C@H]2CCCC[C@H]21 ZINC000299807091 JK Annotated Anodyne Clc1ccc([C@@H]2C[C@@]3(N4CCCCC4)CCN[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000299807096 JK Annotated Anodyne CN(C)[C@@]12CCN[C@@H]([C@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000299807121 JK Annotated Anodyne CC[C@H](COCc1ccc(Cl)cc1)N(C)CCN(C)[C@H](CC)COCc1ccc(Cl)cc1 ZINC000299807401 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299808033 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299808034 JK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccccc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000299808121 JK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccccc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000299808122 JK Annotated Anodyne CN(C)[C@]12C[C@H](OC(=O)CCN3CCCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000299808813 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299808822 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299808823 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299809219 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299809221 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@H]3CCCC[C@H]3C)c2c1 ZINC000299809250 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@@H]3CCCC[C@H]3C)c2c1 ZINC000299809251 JK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(C(C)(C)C)cc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000299809705 JK Annotated Anodyne C[C@@H]1C(=NOCc2ccccc2)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000299810760 JK Annotated Mild CC(C)(CN1C[C@H]2CC[C@H]1C2)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810782 JK Annotated Anodyne CC(C)(CN1C[C@H]2CC[C@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810783 JK Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000299811041 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000299811042 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000299811043 JK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000299811044 JK Annotated Mild CC1(C)[C@H]2CC[C@@H](CNCCCNCCCNCCCNC[C@@H]3CC[C@H]4CC[C@H]3C4(C)C)[C@H]1CC2 ZINC000299811057 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H](CNCCCNCCCNCCCNC[C@@H]3CC[C@H]4CC[C@H]3C4(C)C)[C@H]1CC2 ZINC000299811058 JK Annotated Anodyne CC1(C)[C@H]2CC[C@H](CNCCCNCCCNCCCNC[C@H]3CC[C@H]4CC[C@H]3C4(C)C)[C@H]1CC2 ZINC000299811059 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC1 ZINC000299811109 JK Annotated Anodyne C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1-c1ccccc1 ZINC000299811138 JK Annotated Mild O=C(OC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000299811153 JK Annotated Mild Cc1c(/C=C2\SC(=Nc3ccccc3F)N(C3CCCCC3)C2=O)c2ccccc2n1CC(N)=O ZINC000299811154 JK Annotated Mild CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000299811190 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000299811191 JK Annotated Anodyne O=C1CCCC[C@@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000299811295 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@]12CCCC2=O ZINC000299811316 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@]12CCCC2=O ZINC000299811317 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@]12CCCC2=O ZINC000299811318 JK Annotated Anodyne O=C(/C=C/c1ccccc1)OC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000299811386 JK Annotated Mild CCCCCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000299811395 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000299811420 JK Annotated Mild CO/N=C1\[C@H]2CCC[C@@]1(C)[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000299811421 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@@H]1C(=O)c3ccccc3C(=O)[C@H]21 ZINC000299811511 JK Annotated Mild CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)n2cnc3ccccc32)[C@H]1c1ccccc1 ZINC000299811535 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)n2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000299811536 JK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2cnc3ccccc32)[C@H]1c1ccccc1 ZINC000299811537 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@@]32C(=O)O)C1(C)C ZINC000299811623 JK Annotated Mild CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@]12CCCCC2=O ZINC000299811645 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@]12CCCCC2=O ZINC000299811646 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@]12CCCCC2=O ZINC000299811647 JK Annotated Anodyne CCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000299811667 JK Annotated Mild c1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@H](NCCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299812209 JK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@@H](NCCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299812212 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)C[C@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000299812214 JK Annotated Anodyne c1ccc([C@@H]2C[C@@]3(N4CCCCC4)CCN(CCCN4CCCCC4)[C@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000299812381 JK Annotated Anodyne CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000299812428 JK Annotated Reactive CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000299812429 JK Annotated Reactive CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000299812430 JK Annotated Reactive CCOC(=O)NN=C1C=C2C=C[C@@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000299812431 JK Annotated Reactive Cc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000299812540 JK Annotated Anodyne Cc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000299812541 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000299812913 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000299812914 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000299812915 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000299812956 JK Annotated Anodyne CC(C)c1ccc2[nH]c(O)c(N=NC(=O)c3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)c2c1 ZINC000299812987 JK Annotated Clean COc1ccc([C@H]2C=CCN(CC(C)C)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000299813013 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(CC(C)C)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000299813014 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1/C=C\c1ccccc1 ZINC000299813037 JK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1/C=C/c1ccccc1 ZINC000299813038 JK Annotated Anodyne Cc1cccc2c(N=Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c(O)[nH]c12 ZINC000299813106 JK Annotated Clean C=CCc1cccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](CC[C@@H](C)[C@@H]4c4cccc(CC=C)c4)C(=O)N23)c1 ZINC000299813187 JK Annotated Mild C=CCc1cccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](c5cccc(CC=C)c5)[C@H](C)CC[C@@H]4C(=O)N23)c1 ZINC000299813188 JK Annotated Mild C=CCc1cccc([C@@H]2[C@@H](C)CC[C@@H]3C(=O)N4[C@H](c5cccc(CC=C)c5)[C@H](C)CC[C@@H]4C(=O)N23)c1 ZINC000299813189 JK Annotated Mild C=CCc1cccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N4[C@H](CC[C@H](C)[C@@H]4c4cccc(CC=C)c4)C(=O)N23)c1 ZINC000299813190 JK Annotated Mild COc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000299813197 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000299813198 JK Annotated Anodyne CCCCCC/C=C/c1ccc(OC)c([C@@H]2[C@@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)c1 ZINC000299813200 JK Annotated Mild CCCCCC/C=C/c1ccc(OC)c([C@@H]2[C@@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)c1 ZINC000299813201 JK Annotated Mild C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@@]5(C)[C@@H]4C=C[C@@]21OC3=O ZINC000299813249 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@H]3[C@@H]1C ZINC000299813250 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@H]13 ZINC000299813251 JK Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000299813252 JK Annotated Anodyne C=CCn1c(O)c(N=NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000299813327 JK Annotated Mild O=C(N=Nc1c(O)[nH]c2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000299813389 JK Annotated Clean C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@H]13 ZINC000299813403 JK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@@]6(C)[C@@H]5C=C[C@@]4(OC2=O)[C@H]3[C@@H]1C ZINC000299813404 JK Annotated Anodyne C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@@]4(C)CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]5(C)[C@@H]4C=C[C@@]21OC3=O ZINC000299813405 JK Annotated Anodyne CSC1=NC(=Nc2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(Cl)cc1 ZINC000299813406 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C)C2 ZINC000299813501 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@H](C)[C@@H](OCc1ccccc1)C(C)C)C2 ZINC000299813502 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)C2 ZINC000299813503 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@H](C)[C@H](OCc1ccccc1)C(C)C)C2 ZINC000299813504 JK Annotated Mild C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000299813521 JK Annotated Anodyne CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000299813659 JK Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000299813660 JK Annotated Mild C[C@@H]1[C@H](C(=O)N2CCCC2)c2cc3ccccc3nc2-c2nc3ccccc3cc2[C@H]1c1ccccc1 ZINC000299813712 JK Annotated Anodyne CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000299813739 JK Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000299813740 JK Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000299813741 JK Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000299813742 JK Annotated Mild Clc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)cc1 ZINC000299814009 JK Annotated Anodyne CCOC(=O)C[C@H](C)[C@](C#N)(O[P@]1(=O)O[C@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000299814047 JK Annotated Mild CCOC(=O)C[C@H](C)[C@](C#N)(O[P@]1(=O)O[C@@H](c2ccccc2)[C@H](C)N1C)c1ccccc1 ZINC000299814048 JK Annotated Mild CCOC(=O)C[C@H](C)[C@](C#N)(O[P@]1(=O)O[C@H](c2ccccc2)[C@H](C)N1C)c1ccccc1 ZINC000299814049 JK Annotated Mild CC(C)CCN(Cc1ccc(CC(=O)O)cc1-c1ccc(F)cc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000299814089 JK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)cc1 ZINC000299814122 JK Annotated Bother O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 ZINC000299814123 JK Annotated Bother CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccc(OC)cc1 ZINC000299814128 JK Annotated Anodyne CSc1ccc(NC(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C(=O)O)cc1 ZINC000299814218 JK Annotated Anodyne CSc1ccc(NC(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C(=O)O)cc1 ZINC000299814219 JK Annotated Anodyne CSc1ccc(NC(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C(=O)O)cc1 ZINC000299814220 JK Annotated Anodyne CSc1ccc(NC(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C(=O)O)cc1 ZINC000299814221 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299814289 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000299814290 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000299814291 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(C)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000299814380 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(C)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000299814381 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(C)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000299814382 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(C)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299814383 JK Annotated Anodyne CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@H](C)[C@H](O)/C(C)=C/[C@H](C)CCc1ccccc1 ZINC000299814514 JK Annotated Anodyne CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)CCc1ccccc1 ZINC000299814515 JK Annotated Anodyne CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000299814516 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299814684 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000299814685 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000299814686 JK Annotated Anodyne CCC(C)(C)[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(O)c(OC)c1)N[C@H]2c1ccc(O)c(OC)c1 ZINC000299814807 JK Annotated Anodyne C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000299814871 JK Annotated Bother C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000299814872 JK Annotated Bother C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000299814873 JK Annotated Bother C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000299814874 JK Annotated Bother CCCCCCCCCCCOCC[C@@H]1[C@H]([C@H](C)OCCN2CCCC2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000299814880 JK Annotated Mild CCCCCCCCCCCOCC[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H](C)OCCN1CCCC1 ZINC000299814881 JK Annotated Mild CCCCCCCCCCCOCC[C@@H]1[C@H]([C@H](C)OCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000299814882 JK Annotated Mild CCCCCCCCCCCOCC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@H](C)OCCN1CCCC1 ZINC000299814883 JK Annotated Mild CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCC2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000299814906 JK Annotated Mild CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCC2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000299814907 JK Annotated Mild CCC(C)(C)[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)N[C@H]2c1ccc(OC)c(OC)c1 ZINC000299814968 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000299814999 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000299815003 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299815008 JK Annotated Anodyne CCC(C)(C)[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)ccc1OC)N[C@H]2c1cc(OC)ccc1OC ZINC000299815009 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](c3ccc(O)c(OCC)c3)[C@H]3CC(C(C)(C)CC)C[C@H]2C3=O)ccc1O ZINC000299815013 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](c3ccc(O)c(OCC)c3)[C@H]3C[C@H](C(C)(C)CC)C[C@H]2C3=O)ccc1O ZINC000299815015 JK Annotated Anodyne C=C1C[C@@H]2[C@H](C)C(=O)CC[C@]2(C)C2=C1[C@@H]1CC[C@H]([C@H](C)CCC(=C)[C@H](C)C(=O)O)[C@]1(C)CC2=O ZINC000299815083 JK Annotated Mild C=C1C[C@@H]2[C@H](C)C(=O)CC[C@]2(C)C2=C1[C@@H]1CC[C@H]([C@H](C)CCC(=C)[C@@H](C)C(=O)O)[C@]1(C)CC2=O ZINC000299815085 JK Annotated Mild C=C1C[C@@H]2[C@H](C)C(=O)CC[C@]2(C)C2=C1[C@@H]1CC[C@H]([C@H](C)CCC(=C)[C@@H](C)C(=O)O)[C@@]1(C)CC2=O ZINC000299815089 JK Annotated Mild C=C1C[C@@H]2[C@H](C)C(=O)CC[C@]2(C)C2=C1[C@@H]1CC[C@H]([C@H](C)CCC(=C)[C@H](C)C(=O)O)[C@@]1(C)CC2=O ZINC000299815092 JK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(Cl)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299815229 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(Cl)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000299815230 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cc(Cl)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000299815231 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1 ZINC000299815247 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)c1 ZINC000299815248 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1 ZINC000299815249 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1OC ZINC000299815368 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1OC ZINC000299815369 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1OC ZINC000299815370 JK Annotated Anodyne COC(=O)C[P@]1(=O)O[C@@H]2[C@@H]([C@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299815583 JK Annotated Anodyne COC(=O)C[P@]1(=O)O[C@H]2[C@H]([C@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299815586 JK Annotated Anodyne COC(=O)C[P@]1(=O)O[C@@H]2[C@H]([C@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299815588 JK Annotated Anodyne C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000299815657 JK Annotated Mild C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000299815658 JK Annotated Mild C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C/C(=N\N(C)C)[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000299815659 JK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299815886 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000299815887 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C1\[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@H]2C=C[C@H]1O2 ZINC000299815896 JK Annotated Anodyne CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCCC2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000299815988 JK Annotated Mild CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCCC2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000299815989 JK Annotated Mild CC1=Nc2ccccc2[C@]12[C@H](c1ccccc1)[C@H](c1ccccc1)C(=O)N1c3ccccc3C[C@@H]12 ZINC000299816265 JK Annotated Anodyne CC1=Nc2ccccc2[C@]12[C@H](c1ccccc1)[C@H](c1ccccc1)C(=O)N1c3ccccc3C[C@H]12 ZINC000299816266 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@H]31 ZINC000299816382 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@H]31 ZINC000299816383 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@@H]31 ZINC000299816384 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@@H]31 ZINC000299816385 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O ZINC000299816486 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C1=O ZINC000299816487 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C1=O ZINC000299816488 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]3[C@H]2C1 ZINC000299816801 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]3[C@@H]2C1 ZINC000299816802 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@H]2C1 ZINC000299816803 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]2C1 ZINC000299816867 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]2C1 ZINC000299816868 JK Annotated Bother CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]2C1 ZINC000299816869 JK Annotated Bother O[C@H]1/C=C\C=C/CCN2C[C@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@@](C1)(C5)[C@H]42 ZINC000299818174 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCN2C[C@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@@H]3[C@@](C1)(C5)[C@H]42 ZINC000299818176 JK Annotated Anodyne O[C@@H]1/C=C\C=C/CCN2C[C@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@H]3[C@@](C1)(C5)[C@H]42 ZINC000299818178 JK Annotated Anodyne O[C@H]1/C=C\C=C/CCN2C[C@H]3C=C4CCCCCCCCCC/C=C\CCN5CC[C@H]3[C@@](C1)(C5)[C@H]42 ZINC000299818179 JK Annotated Anodyne CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C[C@@H]3CC[C@@H]12 ZINC000299818591 JK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C[C@H]3CC[C@@H]12 ZINC000299818593 JK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12 ZINC000299818595 JK Annotated Bother CSc1ccc(/C(=N\OCCCCNCCc2ccccc2)c2cccc3ccccc23)cc1 ZINC000299818596 JK Annotated Mild CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12 ZINC000299818599 JK Annotated Bother N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)OCc3ccccc3)c2n1 ZINC000299818731 JK Annotated Mild CN(C)CCC/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1 ZINC000299818799 JK Annotated Bother O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(-c2ccccc2)cc1 ZINC000299818845 JK Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(-c2ccccc2)cc1 ZINC000299818852 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)c1nnc2s/c(=C\c3ccccc3)c(=O)n12 ZINC000299819061 JK Annotated Anodyne COc1cccc([C@@]2(CN)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 ZINC000299819544 JK Annotated Anodyne O=[N+]([O-])c1ccccc1-c1nc2scc(-c3ccc(Br)cc3)n2c1NC1CCCCC1 ZINC000299819778 JK Annotated Bother CN(CCCn1c(=O)oc2cc3c(cc21)[C@H](c1ccc(Cl)cc1)CC3=O)Cc1ccccc1 ZINC000299819826 JK Annotated Anodyne CN(CCCn1c(=O)oc2cc3c(cc21)[C@@H](c1ccc(Cl)cc1)CC3=O)Cc1ccccc1 ZINC000299819832 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000299819973 JK Annotated Anodyne N#Cc1ccc2c(Oc3ccc(Cl)cc3OCCn3ccc(O)nc3=O)cc(Cl)cc2c1 ZINC000299820060 JK Annotated Mild Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-c5cnn(C)c5)cc4F)cc-3c2=O)c(C)c1 ZINC000299820094 JK Annotated Anodyne CC(C)c1cc2c(cc1OC(=O)CCCc1c[nH]c3ccccc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000299820243 JK Annotated Anodyne C#CCOC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC(=O)[C@@H]3[C@@]4(C)CCC(=O)[C@H](C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000299820260 JK Annotated Mild CCN(CCCCO/N=C(\c1ccc(SC)cc1)c1cccc2ccccc12)Cc1ccccc1 ZINC000299820620 JK Annotated Mild COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)cc(F)c1-n1cnc(C)c1 ZINC000299820738 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000299820749 JK Annotated Anodyne Cc1c(-c2ccc(C(=O)O)c(O)n2)sc2sc(-c3ccc(C#N)c(O)n3)c(-c3ccccc3)c12 ZINC000299820839 JK Annotated Mild CC(=O)c1ccc(-c2sc3sc(-c4ccc(C(C)=O)c(C)n4)c(-c4ccccc4)c3c2C)nc1C ZINC000299820943 JK Annotated Anodyne Oc1ccccc1/C=N/c1nnc(SCc2nnc(-c3ccc(Br)cc3)o2)s1 ZINC000299821016 JK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000299821047 JK Annotated Anodyne COC(=O)[C@@H](Sc1nc(Cl)nc(Nc2ccc(Oc3ccccc3)cc2)n1)c1ccccc1 ZINC000299821096 JK Annotated Anodyne COC(=O)[C@H](Sc1nc(Cl)nc(Nc2ccc(Oc3ccccc3)cc2)n1)c1ccccc1 ZINC000299821099 JK Annotated Anodyne CC(C)=CCOc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1OCC=C(C)C ZINC000299821110 JK Annotated Anodyne NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000299821123 JK Annotated Anodyne CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000299821184 JK Annotated Anodyne COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1Nc1ccc(F)cc1 ZINC000299821461 JK Annotated Anodyne C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)C)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C)C(C)C ZINC000299821583 JK Annotated Mild c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCC23CCCN2CCC3)cc1 ZINC000299821602 JK Annotated Bother Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-n5cccn5)cc4)cc-3c2=O)c(C)c1 ZINC000299821656 JK Annotated Anodyne S=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCCC2)nn1Cc1ccccc1 ZINC000299821804 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C5=C(C(=O)C[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000299821964 JK Annotated Mild C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C5=C(C(=O)C[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000299821965 JK Annotated Mild CCOC(=O)c1nc(Nc2cc(Oc3ccccc3C(F)(F)F)cc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000299822413 JK Annotated Bother COC(=O)[C@@H](Sc1nc(Cl)nc(Nc2ccc(C(C)C)cc2)n1)c1cccc2ccccc12 ZINC000299822418 JK Annotated Anodyne CC(=O)n1c2cc(Br)cc(Br)c2c2cc(-c3ccc4ccccc4c3)nnc21 ZINC000299822421 JK Annotated Anodyne COC(=O)[C@H](Sc1nc(Cl)nc(Nc2ccc(C(C)C)cc2)n1)c1cccc2ccccc12 ZINC000299822422 JK Annotated Anodyne COc1cccc2c1[nH]c1c3[n+](cc(OC)c12)[C@H](c1ncc(OC)c2c1[nH]c1ccccc12)CCC3 ZINC000299822524 JK Annotated Anodyne COc1cccc2c1[nH]c1c3[n+](cc(OC)c12)[C@@H](c1ncc(OC)c2c1[nH]c1ccccc12)CCC3 ZINC000299822536 JK Annotated Anodyne C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@]57CC[C@@]43C)O2)OC1=O ZINC000299822555 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)[C@H](O)CC[C@@]67C[C@]57CC[C@@]43C)O2)OC1=O ZINC000299822567 JK Annotated Anodyne CC(C)[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000299822572 JK Annotated Anodyne CC(C)[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000299822575 JK Annotated Anodyne Brc1ccc2c(c1)CN1c3ccc(Br)cc3CN2C1N1CCCCC1 ZINC000299822630 JK Annotated Anodyne CC(=O)n1c2cc(Br)cc(Br)c2c2cc(-c3ccc(F)cc3)nnc21 ZINC000299822639 JK Annotated Anodyne O=C(NNC(=S)NCCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299822672 JK Annotated Reactive CC(=O)n1c2cc(Br)cc(Br)c2c2cc(-c3cccc4ccccc34)nnc21 ZINC000299822699 JK Annotated Anodyne c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCN2CCCC2)cc1 ZINC000299822707 JK Annotated Bother COc1cc(N[C@H](C)CCCNC(=O)N(C)C(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299822807 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)N(C)C(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299822810 JK Annotated Anodyne C#CCOC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1C[C@@H](O)[C@@H]3[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000299823005 JK Annotated Mild C/C(C[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299823138 JK Annotated Mild C/C(C[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299823145 JK Annotated Mild COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(C=O)s4)cc2n3C(C)(C)C)cc1 ZINC000299823228 JK Annotated Anodyne C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21 ZINC000299823259 JK Annotated Mild COc1ccc(Nc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1 ZINC000299823585 JK Annotated Anodyne COc1cc2nc(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)c(O)c2cc1Cl ZINC000299823778 JK Annotated Anodyne COC(=O)[C@@H](Sc1nc(Cl)nc(Nc2ccc(-c3ccccc3)cc2)n1)c1ccccc1 ZINC000299823779 JK Annotated Anodyne COC(=O)[C@H](Sc1nc(Cl)nc(Nc2ccc(-c3ccccc3)cc2)n1)c1ccccc1 ZINC000299823780 JK Annotated Anodyne O=C(/C=C/c1ccc(Oc2ncnc3ccc(Cl)cc23)cc1)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299823811 JK Annotated Mild CCCCc1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000299823987 JK Annotated Anodyne COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(O)cc2)c1OC ZINC000299824080 JK Annotated Anodyne CC(C)NC(=N)c1ccc(/N=C2\c3ccccc3CN2c2ccc(C(=N)NC(C)C)cc2)cc1 ZINC000299824116 JK Annotated Mild CCN(CC)c1ccc(/C=C/C(=O)c2cccc(-n3cc(-c4ccccc4C(F)(F)F)nn3)c2)cc1 ZINC000299824128 JK Annotated Mild Cc1ccc(Cl)c(NC(=O)C[C@H](CC(=O)O)c2noc([C@@H]3C[C@H](CC(C)C)C3)c2C2CC2)c1 ZINC000299824205 JK Annotated Anodyne C=C(C)[C@@H]1CC(=O)C2=C(C(=O)C[C@]34CO[C@@]5(CC)CC[C@](C)(O5)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)OC ZINC000299824269 JK Annotated Mild COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(C(=O)O)cc2)c1OC ZINC000299824305 JK Annotated Anodyne Cc1ccc(Cn2nc(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)c3c2-c2c(C)csc2C3)cc1 ZINC000299824383 JK Annotated Anodyne Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)c3c2-c2c(C)csc2C3)cc1 ZINC000299824393 JK Annotated Anodyne O=C(Cn1c(-c2ccc3ccccc3c2)cc(-c2ccccc2)c1-c1ccco1)NCc1ccccc1 ZINC000299824514 JK Annotated Anodyne O=C(/C=C/c1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000299824567 JK Annotated Mild N#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1 ZINC000299824897 JK Annotated Reactive CC(=O)n1c2cccc(I)c2c2cc(-c3cccc4ccccc34)nnc21 ZINC000299824922 JK Annotated Anodyne COc1ccc2cc([C@@H](CCN3CC=C(Cc4ccccc4)CC3)N3CCCC3)ccc2c1Cl ZINC000299825363 JK Annotated Anodyne COc1ccc2cc([C@H](CCN3CC=C(Cc4ccccc4)CC3)N3CCCC3)ccc2c1Cl ZINC000299825366 JK Annotated Anodyne Brc1ccccc1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1 ZINC000299825520 JK Annotated Anodyne CC1=CC[C@]2(OC[C@]34CCC5=C(CC[C@@H]6C(=C5)C=CC(=O)OC6(C)C)[C@]3(C)CC[C@@H]4[C@@H]2C)OC1=O ZINC000299825526 JK Annotated Anodyne CCN(CC)CCCn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 ZINC000299825603 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(NCc3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000299825612 JK Annotated Clean COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3nc4ccccc4s3)nn2)c1CC=C(C)C ZINC000299825658 JK Annotated Anodyne CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)/N=C\C=C\c1ccc(N(C)C)cc1 ZINC000299825824 JK Annotated Mild CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)/N=C\C=C\c1ccc(N(C)C)cc1 ZINC000299825825 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H]5CC[C@H](C(C)(C)O)OC5)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000299825931 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H]5CC[C@@H](C(C)(C)O)OC5)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000299825933 JK Annotated Mild O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000299825945 JK Annotated Bother C=CCCCCCCCCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299826034 JK Annotated Reactive COc1cc2nc(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)c(O)c2cc1Cl ZINC000299826054 JK Annotated Anodyne CC(C)=CCOc1ccc(-c2c(C)c3cc(Br)ccc3oc2=O)cc1OCC=C(C)C ZINC000299826096 JK Annotated Anodyne COc1cc2nc(C)c(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)c(O)c2cc1Cl ZINC000299826132 JK Annotated Anodyne COc1cc2nc(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3C)c(O)c2cc1Cl ZINC000299826231 JK Annotated Anodyne CC(C)CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299826507 JK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(ccc(C(=O)Cc3ccccc3)c2O)OC1(C)C ZINC000299826524 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2noc([C@@H]3C[C@H](CC(C)C)C3)c2C2CC2)c(Cl)c1 ZINC000299826534 JK Annotated Anodyne Cc1cc(C)c(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1C ZINC000299826562 JK Annotated Mild O=C(NNC(=S)Nc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299826645 JK Annotated Reactive CC(C)c1ccc2occ(/C=C3/C(=O)N(c4c(Cl)cccc4Cl)c4ccccc43)c(=O)c2c1 ZINC000299826726 JK Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)c(Cl)c1)[C@H]2C(=O)NC1CCCCC1 ZINC000299826775 JK Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)c(Cl)c1)[C@@H]2C(=O)NC1CCCCC1 ZINC000299826785 JK Annotated Anodyne COc1nc(Nc2ccc(C#N)cc2)nc(Nc2c(Br)cc(C)cc2Br)n1 ZINC000299826852 JK Annotated Mild O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1ccccc1F ZINC000299826976 JK Annotated Bother Cc1ccc(S(=O)(=O)Oc2ccc(NCCc3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000299827014 JK Annotated Clean CC(C)=CCC[C@@H](C)[C@H]1C=C[C@@]2(C(=O)O)[C@H](CC(C)=C[C@@H]2/C=C(\C)[C@@H]2CC[C@@H](C(=O)O)CC2)C1 ZINC000299827093 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1C=C[C@@]2(C(=O)O)[C@H](CC(C)=C[C@@H]2/C=C(\C)[C@@H]2CC[C@@H](C(=O)O)CC2)C1 ZINC000299827097 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1C=C[C@@]2(C(=O)O)[C@H](/C=C(\C)[C@@H]3CC[C@@H](C(=O)O)CC3)C=C(C)C[C@H]2C1 ZINC000299827102 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@@H](CCC(=O)O)COC(C)=O)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000299827108 JK Annotated Mild CCN(CC)c1ccc(/C=C/C(=O)c2cccc(-n3cc(-c4cccc(Cl)c4)nn3)c2)cc1 ZINC000299827300 JK Annotated Mild CCCCCc1ccc(-c2cn(-c3cccc(C(=O)/C=C/c4ccc(N(CC)CC)cc4)c3)nn2)cc1 ZINC000299827371 JK Annotated Mild COc1ccc(Nc2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2C#N)cc1 ZINC000299827543 JK Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccccc2Cl)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299827571 JK Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccccc2Cl)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299827574 JK Annotated Mild Cc1cccc(C)c1NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299827611 JK Annotated Reactive O=C(NNC(=S)NC1CCCCC1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299827681 JK Annotated Reactive CC(C)(C)c1ccc(NC(=O)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 ZINC000299827695 JK Annotated Reactive CCCCCc1ccc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1 ZINC000299827727 JK Annotated Mild CCc1ccccc1NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299827746 JK Annotated Reactive CC(C)C[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000299827804 JK Annotated Anodyne Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)ncc2C(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000299827955 JK Annotated Mild Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)ncc2C(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000299827957 JK Annotated Mild COC(=O)c1c(-c2c[nH]c3ccc(Cl)cc23)c(-c2c[nH]c3ccc(Cl)cc23)c(C(=O)OC)n1C ZINC000299828106 JK Annotated Anodyne FC(F)(F)c1cccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)c1 ZINC000299828146 JK Annotated Anodyne O=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1 ZINC000299828177 JK Annotated Anodyne O=C(NNC(=O)c1cccc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299828221 JK Annotated Reactive COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccc(F)cc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299828227 JK Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccc(F)cc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299828230 JK Annotated Mild COc1ccccc1Nc1cc(-c2ccccc2)nc(SCc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000299828278 JK Annotated Anodyne N#CSc1c(-c2ccc(Br)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 ZINC000299828354 JK Annotated Reactive CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1cccc(O)c1 ZINC000299828517 JK Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)c3cccnc3)[nH]c3ccc(Cl)cc23)c1 ZINC000299828758 JK Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)c3cccnc3)[nH]c3ccc(Cl)cc23)c1 ZINC000299828762 JK Annotated Anodyne CC1=C(CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)NC1=O ZINC000299828769 JK Annotated Anodyne Cc1ccc(NC(=S)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 ZINC000299828775 JK Annotated Reactive COc1ccc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1OC ZINC000299828877 JK Annotated Mild CC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000299828921 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](CO)CC[C@@H](O)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000299829124 JK Annotated Mild CC(=O)n1c2cccc(I)c2c2cc(-c3ccc4ccccc4c3)nnc21 ZINC000299829164 JK Annotated Anodyne Oc1ccccc1/C=N/c1nnc(SCc2nnc(-c3ccccc3Br)o2)s1 ZINC000299829796 JK Annotated Mild C/C=C(\C)c1c(Cl)c(OC)c(C)c(O)c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)OC ZINC000299830327 JK Annotated Anodyne CCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)s1 ZINC000299830698 JK Annotated Anodyne CCc1cccc(CC)c1NC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299830829 JK Annotated Reactive Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Br)cc1)[C@H]2C(=O)NC1CCCCC1 ZINC000299830834 JK Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Br)cc1)[C@@H]2C(=O)NC1CCCCC1 ZINC000299830835 JK Annotated Anodyne CC(C)c1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000299830857 JK Annotated Anodyne CCC(=O)c1ccc2c(c1O)[C@@H]1c3c(ccc4c(=O)c(-c5ccccc5)c(C)oc34)OC[C@@H]1C(C)(C)O2 ZINC000299831049 JK Annotated Anodyne CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831075 JK Annotated Reactive CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831079 JK Annotated Reactive CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831083 JK Annotated Reactive CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831087 JK Annotated Reactive CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccc2ccccc2c1 ZINC000299831207 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@]2(C(=O)O)[C@H](/C=C(\C)c3ccc(C(=O)O)cc3)C=C(C)C[C@H]2C1 ZINC000299831239 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1C=C[C@@]2(C(=O)O)[C@H](/C=C(\C)c3ccc(C(=O)O)cc3)C=C(C)C[C@H]2C1 ZINC000299831244 JK Annotated Anodyne FC(F)(F)c1cc(-n2cc(CNC3C4CC5CC(C4)CC3C5)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299831275 JK Annotated Anodyne CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccc(O)cc1 ZINC000299831383 JK Annotated Anodyne CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccncc1 ZINC000299831433 JK Annotated Anodyne N#CSc1c(-c2cc3ccccc3oc2=O)nc2sc(Cc3ccc(Cl)cc3)nn12 ZINC000299831437 JK Annotated Reactive Clc1ccc(Br)cc1Cn1cc(CCCOc2cccc3cccnc23)nn1 ZINC000299831441 JK Annotated Anodyne O=C(/C=C/c1ccc(Oc2ncnc3ccc(Cl)cc23)cc1)/C=C/c1cccc(Cl)c1Cl ZINC000299831649 JK Annotated Mild COc1ccc(CNc2nc(-c3ccc(Cl)cc3Cl)c(Cc3ccccc3)s2)cc1 ZINC000299831734 JK Annotated Anodyne Clc1ccc(-c2nc3scc(-c4ccc(Br)cc4)n3c2NC2CCCCC2)cc1 ZINC000299831841 JK Annotated Anodyne CCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccco2)s1 ZINC000299832067 JK Annotated Anodyne O=c1oc2ccccc2cc1-c1nc2sc(Cc3ccc(Cl)cc3)nn2c1Br ZINC000299832113 JK Annotated Anodyne Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(Br)cc1)[C@@H]2C(=O)NC1CCCCC1 ZINC000299832173 JK Annotated Anodyne Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(Br)cc1)[C@H]2C(=O)NC1CCCCC1 ZINC000299832176 JK Annotated Anodyne Cc1ccc(N(C)C2N3Cc4cc(Br)ccc4N2Cc2cc(Br)ccc23)cc1 ZINC000299832183 JK Annotated Anodyne O=C(/C=C/c1ccc(Oc2ncnc3ccc(Cl)cc23)cc1)/C=C/c1c(Cl)cccc1Cl ZINC000299832189 JK Annotated Mild COc1ccccc1-n1c(S)nnc1CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000299832871 JK Annotated Anodyne O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)/C=C/c1ccccc1Oc1ncnc2ccc(Cl)cc12 ZINC000299832984 JK Annotated Mild COc1ccc(/C=N/c2cc3c(cc2C(C)C)CC[C@@H]2[C@]3(C)CCC[C@@]2(C)CNC(C)=O)cc1 ZINC000299833036 JK Annotated Mild O=C(/C=C/c1ccc(Oc2ncnc3ccc(Cl)cc23)cc1)/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000299833118 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C(=O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000299833173 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1/C(=N/O)CC/C(=N\O)[C@H]13 ZINC000299833815 JK Annotated Mild O=C1C=C[C@]2(C[C@@H](c3c(F)c(F)c(F)c(F)c3F)O[C@@H](c3c(F)c(F)c(F)c(F)c3F)O2)O1 ZINC000299834285 JK Annotated Mild C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21 ZINC000299834290 JK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C[N+](CCO)(CCO)Cc1ccccc1 ZINC000299834520 JK Annotated Bother COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3/C(=N/O)CCC12OCCO2 ZINC000299834529 JK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 ZINC000299834558 JK Annotated Reactive COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3C(=O)CCC12OCCO2 ZINC000299834584 JK Annotated Anodyne COc1cc(NCc2cc3ccccc3o2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000299834649 JK Annotated Anodyne Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)/C(=C/c4cccc(O)c4O)SC3=S)cc2)cc1 ZINC000299834682 JK Annotated Clean C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCCCN1CCCCC1 ZINC000299834713 JK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(ccc(C(=O)c3ccccc3)c2O)OC1(C)C ZINC000299834790 JK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCCN1CCOCC1 ZINC000299834894 JK Annotated Anodyne CC(C)c1cc2c(cc1[N+](=O)[O-])[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccccc3Cl)[C@@H]1CC2 ZINC000299835088 JK Annotated Bother C[C@@]1(c2ccc(Cl)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299835161 JK Annotated Mild C[C@]1(c2ccc(Cl)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299835162 JK Annotated Mild COc1ccc(-n2c(S)nnc2CSCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000299835173 JK Annotated Anodyne CC1(C)CCc2c(cc(O)c(C(=O)CCc3ccc4c(c3)C[C@@H]3C(C)(C)CCC[C@@]3(C)O4)c2O)O1 ZINC000299835179 JK Annotated Anodyne CC1(C)CCc2c(cc(O)c(C(=O)CCc3ccc4c(c3)C[C@H]3C(C)(C)CCC[C@]3(C)O4)c2O)O1 ZINC000299835181 JK Annotated Anodyne CC1(C)CCc2c(cc(O)c(C(=O)CCc3ccc4c(c3)C[C@@H]3C(C)(C)CCC[C@]3(C)O4)c2O)O1 ZINC000299835183 JK Annotated Anodyne CC1(C)CCc2c(cc(O)c(C(=O)CCc3ccc4c(c3)C[C@H]3C(C)(C)CCC[C@@]3(C)O4)c2O)O1 ZINC000299835185 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(=O)N2[C@@H](C)c2ccccc2)cc1OC ZINC000299835227 JK Annotated Anodyne COc1ccc(-c2ccnc(Oc3cccc(-c4cn(C)c5cc6ccccc6nc45)c3)n2)cc1 ZINC000299835246 JK Annotated Anodyne O=C1C=C[C@]2(C[C@@H](c3ccc4ccccc4c3[N+](=O)[O-])O[C@@H](c3ccc4ccccc4c3[N+](=O)[O-])O2)O1 ZINC000299835441 JK Annotated Bother Cc1coc2c3c(ccc2c1=O)OC[C@H]1[C@@H]3c2c(ccc(C(=O)Cc3ccccc3)c2O)OC1(C)C ZINC000299835470 JK Annotated Anodyne CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2ccsc12 ZINC000299835599 JK Annotated Anodyne c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CC23CCCN2CCC3)cc1 ZINC000299835644 JK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000299835704 JK Annotated Bother CC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2 ZINC000299835738 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6Cc7[nH]c(=S)[nH]c7[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000299835766 JK Annotated Anodyne COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccc(Cl)cc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299835984 JK Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccc(Cl)cc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299835985 JK Annotated Mild C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCCCN1CCOCC1 ZINC000299835987 JK Annotated Anodyne CC(=O)c1ccc2c(c1O)[C@@H]1c3c(ccc4c(=O)c(-c5ccccc5)c(C)oc34)OC[C@@H]1C(C)(C)O2 ZINC000299836076 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000299836141 JK Annotated Anodyne C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000299836142 JK Annotated Anodyne CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc3n2)c1 ZINC000299836259 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000299836265 JK Annotated Bother C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12 ZINC000299836266 JK Annotated Mild C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12 ZINC000299836268 JK Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccccc2F)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299836340 JK Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccccc2F)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299836341 JK Annotated Mild C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000299836479 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000299836480 JK Annotated Anodyne CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@@H]1CCc2c1ccc(OC)c2OC ZINC000299836533 JK Annotated Anodyne CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@H]1CCc2c1ccc(OC)c2OC ZINC000299836535 JK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1 ZINC000299836770 JK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1 ZINC000299836774 JK Annotated Reactive CSc1nc2cc(Oc3cccc4ccccc34)c(Cl)cc2n1COP(=O)(O)O ZINC000299836802 JK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCCN1CCCC1 ZINC000299836812 JK Annotated Anodyne O=C(O)/C(Cc1ccc(F)c([N+](=O)[O-])c1)=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000299836829 JK Annotated Mild O=C(O)/C(Cc1ccc(F)c([N+](=O)[O-])c1)=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000299836831 JK Annotated Mild CC(C)(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 ZINC000299837057 JK Annotated Bother COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)Cc2c([nH]c4ccccc24)[C@H]13 ZINC000299837080 JK Annotated Anodyne COc1ccc(NC(=S)NNC(=O)CSCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000299837101 JK Annotated Reactive Fc1cc(-c2cc3ccc(C4=NCCCN4)cc3[nH]2)ccc1-c1cc2ccc(C3=NCCCN3)cc2o1 ZINC000299837262 JK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCCCN1CCCC1 ZINC000299837345 JK Annotated Anodyne CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC=C(C)C)cc2OC)C1=O ZINC000299837469 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6[nH]5)cc4)oc3c2)=N1 ZINC000299837484 JK Annotated Anodyne C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6o5)cc4)[nH]c3c2)=N1 ZINC000299837486 JK Annotated Anodyne COc1ccc(Nc2nnc(CSCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)s2)cc1 ZINC000299837537 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@@H](C)CN7)cc6o5)cc4)[nH]c3c2)=N1 ZINC000299837639 JK Annotated Anodyne C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=N[C@H](C)CN7)cc6o5)cc4)[nH]c3c2)=N1 ZINC000299837644 JK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCN1CCCCC1 ZINC000299837709 JK Annotated Anodyne CC(C)c1cc2c(cc1[N+](=O)[O-])[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 ZINC000299837936 JK Annotated Bother CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1 ZINC000299837955 JK Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6Cc7cn[nH]c7[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000299837965 JK Annotated Anodyne CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)c(Nc2cc(OC)cc(OC)c2)c1 ZINC000299838433 JK Annotated Mild c1cc2oc(-c3ccc(-c4ncc([C@@H]5CCCN5)[nH]4)cc3)cc2cc1-c1cnc([C@@H]2CCCN2)[nH]1 ZINC000299838517 JK Annotated Anodyne COc1ccccc1NC(=S)NNC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000299838521 JK Annotated Reactive CCC(O)(CC)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 ZINC000299838545 JK Annotated Bother CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(OC)c(OC)c1 ZINC000299838614 JK Annotated Anodyne CCN(CC)CCCCCOC(=O)C[C@@H](C)CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000299838850 JK Annotated Anodyne COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 ZINC000299838885 JK Annotated Bother COc1cc(OCC=C(C)C)c(Br)cc1/C=C1\SC(=O)N(CC=C(C)C)C1=O ZINC000299838898 JK Annotated Anodyne CCCCCCn1c(=O)c2c3c(cnc2n(CCCCCC)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299838908 JK Annotated Mild CCCOC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)c(OC(=O)CCC)c12 ZINC000299838986 JK Annotated Anodyne CCN(CC)CCCOC1=C[C@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@@H]2C=C1 ZINC000299839076 JK Annotated Anodyne CCN(CC)CCCOC1=C[C@@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@@H]2C=C1 ZINC000299839078 JK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCCN1CCCCC1 ZINC000299839090 JK Annotated Anodyne CCN(CC)CCCOC1=C[C@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@H]2C=C1 ZINC000299839189 JK Annotated Anodyne CCN(CC)CCCOC1=C[C@@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@H]2C=C1 ZINC000299839192 JK Annotated Anodyne CC(C)=CCc1cc(NC(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1O ZINC000299839280 JK Annotated Anodyne NS(=O)(=O)c1ccc2nc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccs3)sc2c1 ZINC000299839509 JK Annotated Anodyne NS(=O)(=O)c1ccc2nc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccs3)sc2c1 ZINC000299839511 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)c1nnc2s/c(=C\c3ccc(O)cc3)c(=O)n12 ZINC000299839525 JK Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5s4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000299839682 JK Annotated Anodyne Cc1c(-c2ccc(-c3cc4ccc(C5=NCCCN5)cc4o3)cc2)[nH]c2cc(C3=NCCCN3)ccc12 ZINC000299839776 JK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCN1CCOCC1 ZINC000299839984 JK Annotated Anodyne c1cc2oc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1 ZINC000299840030 JK Annotated Anodyne COc1cc(NCc2cccc3cccnc23)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000299840269 JK Annotated Anodyne C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12 ZINC000299840377 JK Annotated Mild C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12 ZINC000299840378 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299840499 JK Annotated Mild CCN(CC)CCCCCCOC(=O)C[C@@H](C)CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000299840529 JK Annotated Anodyne CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12)C[C@@H]1CO1 ZINC000299840605 JK Annotated Bother CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12)C[C@@H]1CO1 ZINC000299840606 JK Annotated Bother CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12)C[C@H]1CO1 ZINC000299840607 JK Annotated Bother CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12)C[C@H]1CO1 ZINC000299840608 JK Annotated Bother COc1ccc(N(CC(=O)NCCCSc2ccccc2)C(=O)/C=C/c2ccccc2)cc1 ZINC000299840680 JK Annotated Anodyne COc1ccccc1/C=C/C[C@H]1CO[C@H](/C=C/c2ccccc2OC)O[C@@H]1c1ccccc1OC ZINC000299840776 JK Annotated Anodyne COc1ccccc1/C=C/C[C@@H]1CO[C@@H](/C=C/c2ccccc2OC)O[C@H]1c1ccccc1OC ZINC000299840777 JK Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000299840829 JK Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000299840830 JK Annotated Anodyne COc1ccc(Br)c2c1OC1=C(C(=O)CC(C)(C)C1)[C@H]2c1c[nH]c2ccccc12 ZINC000299840840 JK Annotated Mild COc1ccc(Br)c2c1OC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1c[nH]c2ccccc12 ZINC000299840841 JK Annotated Mild COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000299840885 JK Annotated Anodyne CC(=O)O[C@H]1[C@H](N)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4NCCC4=C(C)C)C3=CC[C@@H]12 ZINC000299840965 JK Annotated Anodyne CC(=O)O[C@H]1[C@H](N)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4NCCC4=C(C)C)C3=CC[C@@H]12 ZINC000299840966 JK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1 ZINC000299841007 JK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1 ZINC000299841008 JK Annotated Reactive C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000299841095 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000299841096 JK Annotated Anodyne COc1ccc2c(c1OC)CC[C@H]2NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 ZINC000299841099 JK Annotated Anodyne COc1ccc2c(c1OC)CC[C@@H]2NCCCCc1cn(-c2ccc(F)cc2)c2ccccc12 ZINC000299841100 JK Annotated Anodyne COc1ccc(-c2nc(C(C)(C)S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299841181 JK Annotated Anodyne COc1cccc2c1[nH]c1c([C@H]3CCCc4c5[nH]c6c(O)cccc6c5c(OC)c[n+]43)ncc(OC)c12 ZINC000299841228 JK Annotated Anodyne COc1cccc2c1[nH]c1c([C@@H]3CCCc4c5[nH]c6c(O)cccc6c5c(OC)c[n+]43)ncc(OC)c12 ZINC000299841229 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)[C@@H]2c1c[nH]c2ccccc12 ZINC000299841303 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)[C@H]2c1c[nH]c2ccccc12 ZINC000299841304 JK Annotated Mild O=[S@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299841380 JK Annotated Anodyne O=[S@@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299841381 JK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(CCO)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844574 JK Annotated Anodyne O=C(c1ccc(C[n+]2cccc3ccccc32)cc1)c1ccc(C[n+]2cccc3ccccc32)cc1 ZINC000299844626 JK Annotated Anodyne CCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844642 JK Annotated Mild CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844716 JK Annotated Anodyne CCCCCCCCCCCCCC(=O)N1CCC[N@+](C)(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299844814 JK Annotated Mild CCCCCCCCCCCCCC(=O)N1CCC[N@@+](C)(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299844815 JK Annotated Mild Cc1ccc2c(c1)nc(C)n2[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC000299845035 JK Annotated Anodyne CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000299845177 JK Annotated Mild CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000299845178 JK Annotated Mild CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000299845239 JK Annotated Anodyne CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000299845240 JK Annotated Anodyne O=C(OC1CCCCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC2CCCCC2)[C@H]1c1ccc(O)cc1 ZINC000299845257 JK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@@H](NCCCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299845275 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)C[C@H](NCCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000299845277 JK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@H](NCCCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299845280 JK Annotated Anodyne CCN(CC)CCCN1CC[C@]2(N3CCN(C)CC3)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 ZINC000299845284 JK Annotated Anodyne O=C(OC1CCCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC2CCCC2)[C@H]1c1ccc(O)cc1 ZINC000299845342 JK Annotated Anodyne CCC/C=C/COC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC/C=C/CCC)[C@H]1c1ccc(O)cc1 ZINC000299845352 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ncccc2C(F)(F)F)cc1C(=O)O ZINC000299845487 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1cc(Oc2ccccc2C(F)(F)F)ccc1C(=O)O ZINC000299845533 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccccc2C(C)(F)F)cc1C(=O)O ZINC000299845612 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccncc2C(F)(F)F)cc1C(=O)O ZINC000299845679 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccccc2C(F)(F)F)cc1C(=O)O ZINC000299845775 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000299845886 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccccc2Br)cc1C(=O)O ZINC000299846174 JK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccccc2OC(F)(F)F)cc1C(=O)O ZINC000299846175 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCCNCCN ZINC000299846504 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCCNCCN ZINC000299846505 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCCNCCN ZINC000299846507 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCNCCNCCCN ZINC000299846616 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCNCCNCCCN ZINC000299846618 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCNCCNCCCN ZINC000299846619 JK Annotated Anodyne Oc1ccc(N=Nc2cccc(C(F)(F)F)c2)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000299846755 JK Annotated Mild C=C(C)[C@@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O ZINC000299846889 JK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H](C)CCOc2cccnc2)CC1 ZINC000299847017 JK Annotated Mild CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCNCCCN ZINC000299847018 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCNCCCN ZINC000299847020 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCNCCCN ZINC000299847022 JK Annotated Anodyne CC(C)/C(=C\C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C)CCN(C)C ZINC000299847137 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3[N+](=O)[O-])[C@H]12 ZINC000299847273 JK Annotated Bother CC(=O)OC1=C2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]2(C)C1=O ZINC000299847289 JK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2C[C@@H](Oc3cccnc3)C2)CC1 ZINC000299847315 JK Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 ZINC000299847316 JK Annotated Reactive Fc1ccccc1CN1CCCN(Cc2ccccc2Cl)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000299847516 JK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)OC(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000299847562 JK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)OC(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12 ZINC000299847564 JK Annotated Anodyne Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]3c2ccccc2Cl)cc1 ZINC000299847741 JK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)cc1 ZINC000299847743 JK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000299847766 JK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000299847768 JK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000299847806 JK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000299847808 JK Annotated Reactive CC(C)/C(=C\C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)CCN(C)C ZINC000299847870 JK Annotated Anodyne CON=C1CCC(N(C(=O)[C@@H]2CC[C@@H](C)CC2)c2cc(C#CC(C)(C)C)sc2C(=O)O)CC1 ZINC000299847931 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O1 ZINC000299847978 JK Annotated Anodyne C[C@@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccc(Cl)cc2)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000299847983 JK Annotated Mild CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccc(Cl)cc3)[C@H]12 ZINC000299848009 JK Annotated Anodyne COc1cc(C)c2c(O[C@@H]3CCCC[C@H]3C(F)(F)F)c(OC)cc(N[C@H](C)CCCN)c2n1 ZINC000299848068 JK Annotated Anodyne COc1cc(C)c2c(O[C@@H]3CCCC[C@H]3C(F)(F)F)c(OC)cc(N[C@@H](C)CCCN)c2n1 ZINC000299848072 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3O)[C@H]12 ZINC000299848126 JK Annotated Clean CC(=O)O[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@@H]1OC1(C)C ZINC000299848183 JK Annotated Anodyne CC(=O)O[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@H]1OC1(C)C ZINC000299848186 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)C(=O)C[C@H]3[C@@](C)(CO)C(=O)C=C[C@@]32C)CO1 ZINC000299848228 JK Annotated Mild C[C@@H]1/C(=N/Nc2nc3ccccc3s2)C[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl ZINC000299848230 JK Annotated Mild CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]3(C)C(=O)C[C@@H]3[C@@](C)(CO)C(=O)C=C[C@@]32C)CO1 ZINC000299848231 JK Annotated Mild CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)C(=O)C[C@@H]3[C@@](C)(CO)C(=O)C=C[C@@]32C)CO1 ZINC000299848234 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/O)CC[C@]43C)[C@@H]12 ZINC000299848284 JK Annotated Mild C[C@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@]12[C@@H]1C(=O)CC(=O)[C@H](C)[C@@]1(C)CC[C@@H]23 ZINC000299848361 JK Annotated Anodyne C[C@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@]12[C@H]1C(=O)CC(=O)[C@H](C)[C@@]1(C)CC[C@H]23 ZINC000299848364 JK Annotated Anodyne C[C@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@@]12[C@H]3CC[C@]1(C)[C@@H](C)C(=O)CC(=O)[C@@H]21 ZINC000299848366 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1(C)C ZINC000299848372 JK Annotated Anodyne CN(C)CCCN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000299848473 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(/C=N/O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299848601 JK Annotated Mild CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccc(O)cc3)[C@H]12 ZINC000299849041 JK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3Cl)[C@H]12 ZINC000299849044 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C(C#N)=C(N)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000299849173 JK Annotated Reactive O=C1[C@]2(CCC[C@]13C[C@H]3c1ccc(Br)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000299849242 JK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCC[C@]2(C[C@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000299849337 JK Annotated Anodyne COc1cc([C@@H]2C[C@@]23CCC[C@]2(C[C@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000299849339 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000299849671 JK Annotated Mild COc1cc([C@@H]2C[C@@]23CCCC[C@]2(C[C@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000299849729 JK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCCC[C@]2(C[C@H]2c2cc(OC)c(OC)c(OC)c2)C3=O)cc(OC)c1OC ZINC000299849732 JK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])CC[C@@H]4[C@H]3CC[C@@]21C ZINC000299849754 JK Annotated Mild S=C1NC(c2ccccc2)=C[C@@H](c2ccc(OCc3csc(-c4ccccc4)n3)cc2)N1 ZINC000299850582 JK Annotated Anodyne S=C1NC(c2ccccc2)=C[C@H](c2ccc(OCc3csc(-c4ccccc4)n3)cc2)N1 ZINC000299850583 JK Annotated Anodyne CCOc1ccc(-c2nc(NC(=O)[C@H](N)CC(C)C)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299851025 JK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)O[C@@H](COCc2ccccc2)C1 ZINC000299851436 JK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)O[C@H](COCc2ccccc2)C1 ZINC000299851437 JK Annotated Mild Cc1cc(F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2cc(F)c(O)cc2oc1=O ZINC000299851456 JK Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)CCC)[C@@H]4[C@H]1OC(=O)CCC)C(=O)[C@H]3C)C2(C)C ZINC000299851600 JK Annotated Mild Fc1ccc(C2=C[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)NC(=S)N2)cc1 ZINC000299851761 JK Annotated Anodyne Fc1ccc(C2=C[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)NC(=S)N2)cc1 ZINC000299851762 JK Annotated Anodyne COc1ccc(C2=C[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)NC(=S)N2)cc1 ZINC000299852107 JK Annotated Anodyne COc1ccc(C2=C[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)NC(=S)N2)cc1 ZINC000299852108 JK Annotated Anodyne CC1=C(c2ccc(C)cn2)C[C@@H]2/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H]12 ZINC000299852348 JK Annotated Anodyne CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC2Cc3ccccc3C2)c1 ZINC000299852415 JK Annotated Bother Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2oc1=O ZINC000299852451 JK Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]3[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000299852686 JK Annotated Mild Cc1cc(F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2ccc(O)c(F)c2oc1=O ZINC000299852797 JK Annotated Anodyne COc1cc2cc[n+]([C@@H](C(N)=O)c3ccccc3)c(CCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000299853238 JK Annotated Mild CC1(C)O[C@H]1CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299853655 JK Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CCC(=O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000299854416 JK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4cccc(Br)c4)nc3c2)c(C(F)F)n1 ZINC000299854645 JK Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(N/C(=N/CCCN(C)C)c3ccc(Cl)cc3)c2n1 ZINC000299854746 JK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(CN(C)C)cc2)cc1 ZINC000299855383 JK Annotated Anodyne Clc1ccccc1-c1nn2c(/C=N/C3CCCCC3)c(-c3ccc(Br)cc3)nc2s1 ZINC000299855575 JK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(CC(=O)OC)cc2)cc1 ZINC000299855645 JK Annotated Anodyne COc1ccc2nc(Cl)c(Cn3cc(CN4c5ccccc5C(C)=CC4(C)C)nn3)cc2c1 ZINC000299855684 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(CNC)cc2)cc1 ZINC000299856009 JK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc3cc(Br)ccc32)c(C(C)C)c1 ZINC000299856439 JK Annotated Anodyne CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(I)cc12 ZINC000299856446 JK Annotated Anodyne O=C(NO)[C@@H](c1ccccc1Br)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 ZINC000299856597 JK Annotated Bother O=C(NO)[C@H](c1ccccc1Br)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 ZINC000299856599 JK Annotated Bother O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccccc3)nn12)c1cccs1 ZINC000299856667 JK Annotated Mild Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(Cl)cc4)nc3c2)c(C(F)(F)F)n1 ZINC000299856678 JK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(C(F)(F)F)cc4)nc3c2)c(C(F)F)n1 ZINC000299856680 JK Annotated Anodyne CC(C)c1ccc(COc2cccc3c2CCc2c-3nc(O)c(C#N)c2-c2ccc(C(=O)O)cc2)cc1 ZINC000299856817 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000299856826 JK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000299856827 JK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000299856828 JK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000299856829 JK Annotated Reactive COc1ccc(CSc2nc3cc(NC(=O)c4cn(C)nc4C(F)(F)F)ccc3o2)cc1 ZINC000299856912 JK Annotated Anodyne Cn1c(-c2ccc3ccccc3c2)c([C@H](C(=O)NO)c2ccccc2Br)c2ccccc21 ZINC000299856979 JK Annotated Bother Cn1c(-c2ccc3ccccc3c2)c([C@@H](C(=O)NO)c2ccccc2Br)c2ccccc21 ZINC000299856980 JK Annotated Bother CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)cc12 ZINC000299857042 JK Annotated Anodyne O=C1Cc2cc(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)ccc2C(=O)N1O ZINC000299857048 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000299857073 JK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)Nc1ccccc1 ZINC000299857095 JK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1CCOC1=O ZINC000299857096 JK Annotated Anodyne CN(CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1CO ZINC000299857128 JK Annotated Anodyne CN(CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1CO ZINC000299857129 JK Annotated Anodyne CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1CCc1cccc(C)c1 ZINC000299857239 JK Annotated Anodyne Cc1nc(-c2ccc(OCCCc3ccccc3)cc2)sc1CNc1ccnc(NCC(C)C)n1 ZINC000299857286 JK Annotated Anodyne C=C(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000299857330 JK Annotated Mild CO/N=C/CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000299857432 JK Annotated Mild Clc1ccc(-c2nn3c(/C=N/C4CC4)c(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000299857551 JK Annotated Mild CCCCCn1cc(COc2ccc(/C=C/C(=O)c3ccc4c(c3O)CCC(C)(C)O4)cc2)nn1 ZINC000299857932 JK Annotated Mild COCCCNc1cc(-c2cnc(C)nc2-c2ccc(Cl)cc2Cl)nc(-c2cccnc2)n1 ZINC000299857954 JK Annotated Anodyne COc1ccc2c(c1)/C(=C\C(=O)Nc1ccc3ncccc3c1)C(=O)N2Cc1ccc(Cl)cc1 ZINC000299858042 JK Annotated Anodyne COc1ccc(-c2nn3c(/C=N/C4CC4)c(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000299858063 JK Annotated Mild COc1cc2nc(/C=C/c3ccccc3Cl)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1OC ZINC000299858083 JK Annotated Bother Cc1ccc2c(c1)/C(=C\C(=O)Nc1ccc3ncccc3c1)C(=O)N2Cc1ccc(Cl)cc1 ZINC000299858084 JK Annotated Anodyne COc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1cn(Cc2cc3cc(OC)ccc3nc2Cl)nn1 ZINC000299858227 JK Annotated Clean FC(F)(F)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000299858286 JK Annotated Anodyne O=C(/C=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)Nc1ccc2ncccc2c1 ZINC000299858332 JK Annotated Anodyne CCCCCC[C@@H](O)C/C=C\CCCCCCCCn1nnc(-c2ccc(O)c(OC)c2)n1 ZINC000299858473 JK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)Nc1ccc(C)cc1 ZINC000299858515 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@H]1C[C@@H]1c1ccccn1)c1ccc(-c2ccc(COC)cc2)cc1 ZINC000299858527 JK Annotated Anodyne CCCCCCCCCCCC(=O)N1C/C(=C\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1 ZINC000299858823 JK Annotated Mild CC(C)=CCC[C@]1(C)CCc2c(c(O)cc3oc4cc5c(c(O)c4c(=O)c23)C=CC(C)(C)O5)O1 ZINC000299859162 JK Annotated Bother CC(C)=CCC[C@@]1(C)CCc2c(c(O)cc3oc4cc5c(c(O)c4c(=O)c23)C=CC(C)(C)O5)O1 ZINC000299859163 JK Annotated Bother CCN(CC)C(=O)Cc1c(-c2ccc(OCCc3ccccc3)cc2)nn2c(C)cc(C)nc12 ZINC000299859171 JK Annotated Anodyne N#Cc1c(Cl)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000299859394 JK Annotated Mild COc1ccc2cc([C@H](C)c3nc4s/c(=C\C(C)=C\c5ccccc5)c(=O)n4n3)ccc2c1 ZINC000299859479 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\C(C)=C\c5ccccc5)c(=O)n4n3)ccc2c1 ZINC000299859482 JK Annotated Anodyne CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000299859556 JK Annotated Anodyne COc1cc2nc(/C=C/c3ccccc3Cl)n(-c3ccccc3[N+](=O)[O-])c(=O)c2cc1OC ZINC000299859638 JK Annotated Bother Cc1nc(-c2ccccc2OCc2ccccc2)sc1CNc1ccnc(NCC(C)C)n1 ZINC000299860000 JK Annotated Anodyne Cn1cc(C(/C(=N\O)c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21 ZINC000299860050 JK Annotated Mild C[C@H]1CSC[C@@H](C)N1c1nc(SCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000299860056 JK Annotated Mild C[C@@H]1CSC[C@@H](C)N1c1nc(SCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000299860057 JK Annotated Mild C[C@H]1CSC[C@H](C)N1c1nc(SCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000299860058 JK Annotated Mild Cc1nc(-c2cccc(OCc3ccccc3)c2)sc1CNc1ccnc(NCC(C)C)n1 ZINC000299860239 JK Annotated Anodyne COc1ccc2cc(-c3cn(Cc4ccccc4-n4c(C)nc5ccccc5c4=O)nn3)ccc2c1 ZINC000299860336 JK Annotated Anodyne O=C(NO)[C@H](c1ccc(Cl)c(Cl)c1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 ZINC000299860369 JK Annotated Bother O=C(NO)[C@@H](c1ccc(Cl)c(Cl)c1)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 ZINC000299860371 JK Annotated Bother O=C(/C=C1/C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21)Nc1ccc2ncccc2c1 ZINC000299860382 JK Annotated Anodyne CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1CCc1cccc(C)c1 ZINC000299860384 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000299860385 JK Annotated Anodyne N#Cc1c(Cl)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccc(Cl)cc1 ZINC000299860707 JK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 ZINC000299860808 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1ccc(Br)cc1 ZINC000299860927 JK Annotated Anodyne O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccccc3)nn12)c1ccccc1 ZINC000299860973 JK Annotated Mild CCCCCCCCCCCCCCCCO[P@@]1(=O)OC(C)=C(C(=O)OC)CCC1(F)F ZINC000299861035 JK Annotated Mild CCCCCCCCCCCCCCCCO[P@]1(=O)OC(C)=C(C(=O)OC)CCC1(F)F ZINC000299861036 JK Annotated Mild CN(C)CCNc1nc(/C=C/c2ccc(I)cc2)nc2cc3ccccc3cc12 ZINC000299861255 JK Annotated Bother CCCCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 ZINC000299861438 JK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(OC(C)C)cc2)cc1 ZINC000299861458 JK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(F)cc4)nc3c2)c(C(F)(F)F)n1 ZINC000299861496 JK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4I)n3)cc2)cc1 ZINC000299861536 JK Annotated Anodyne C=C1CCC[C@]2(C)CCC(c3cn(-c4ccc(I)cc4)nn3)=CC[C@@]12C ZINC000299862083 JK Annotated Mild COc1ccc2c(c1)/C(=N\OCc1ccc(F)cc1Cl)C(c1c[nH]c3ccc(OC)cc13)=N2 ZINC000299862284 JK Annotated Mild CC(=O)c1nn(-c2ccccc2)/c(=N/c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)s1 ZINC000299862375 JK Annotated Mild CC[C@H](C)[C@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1C[C@H](C)CC ZINC000299862458 JK Annotated Anodyne CC[C@H](C)CN1C(=N)N(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C[C@@H]1[C@@H](C)CC ZINC000299862460 JK Annotated Anodyne C#CCSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccc(Br)cc2)n1 ZINC000299862482 JK Annotated Mild COc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2Cl)CN(C)C(=O)c2ccccc2)cc1 ZINC000299862493 JK Annotated Mild CCN(CC)c1ccc([C@@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000299862552 JK Annotated Bother CCN(CC)c1ccc([C@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000299862553 JK Annotated Bother C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)c5ccc(Br)cc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000299862775 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5cccc6ccccc56)c(=O)n4n3)ccc2c1 ZINC000299862945 JK Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5cccc6ccccc56)c(=O)n4n3)ccc2c1 ZINC000299862947 JK Annotated Anodyne COc1ccc(-c2nc3sc(-c4ccc(Cl)cc4)nn3c2-c2nc3ccccc3[nH]2)cc1 ZINC000299862995 JK Annotated Anodyne CCOc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000299863057 JK Annotated Anodyne COc1ccc([N+](=O)[O-])c(-c2nnc(C3=C(Cl)c4cc(C)c(C)cc4CCC3)o2)c1OC ZINC000299863376 JK Annotated Bother Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2 ZINC000299863486 JK Annotated Anodyne CCN(CC)CCC/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)c1cccnc1 ZINC000299863710 JK Annotated Mild O=c1c2ccccc2n(Cc2cn(Cc3ccc(Cl)cc3)nn2)c2ccc(Br)cc12 ZINC000299863838 JK Annotated Bother C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C ZINC000299864338 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CN(CC)Cc2ccccc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299864375 JK Annotated Mild Clc1ccccc1-c1nn2c(/C=N/C3CC3)c(-c3ccc(Br)cc3)nc2s1 ZINC000299864442 JK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1ccc(Oc2ccccc2)cc1 ZINC000299864487 JK Annotated Anodyne CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@H]([C@@H](C)CC)N(CCc2cccc(C)c2)C1=N ZINC000299864533 JK Annotated Mild COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNc1ccccc1 ZINC000299864607 JK Annotated Reactive Cn1cc(C(=O)Nc2ccc3oc(SCc4cccc(F)c4)nc3c2)c(C(F)(F)F)n1 ZINC000299864678 JK Annotated Anodyne Cc1cc2c(c(O)n1)CNC(=O)c1cc(Cl)cc(O[C@@H]3CC[C@@H](N(C)C)CC3)c1C/C=C/CCC2 ZINC000299864778 JK Annotated Anodyne CCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 ZINC000299864968 JK Annotated Mild O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299865348 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299865349 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299865350 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299865351 JK Annotated Bother Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(OC(F)(F)F)cc4)nc3c2)c(C(F)F)n1 ZINC000299865519 JK Annotated Anodyne O=C(c1ccccc1)[C@H]1[C@H](c2ccc(O)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299865589 JK Annotated Anodyne O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(O)cc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299865590 JK Annotated Anodyne O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(O)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299865591 JK Annotated Anodyne O=C(c1ccccc1)[C@H]1[C@H](c2ccc(O)cc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299865592 JK Annotated Anodyne Cc1cc2c(cc1C)C(Cl)=C(c1nnc(-c3cccc(I)c3)o1)CCC2 ZINC000299865601 JK Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000299865642 JK Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000299865643 JK Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000299865644 JK Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000299865645 JK Annotated Anodyne CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@]4(C)[C@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000299865763 JK Annotated Anodyne COCCN(C(=O)Nc1ccc(-c2ncnc3[nH]c(C)c(C)c23)cc1F)c1ccc(Cl)cc1 ZINC000299865764 JK Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3c[nH]cn3)cc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000299865810 JK Annotated Anodyne O=C(NO)[C@@H](c1ccccc1)c1c(-c2ccc3ccccc3c2)n(Cc2ccccc2)c2ccccc12 ZINC000299865990 JK Annotated Bother O=C(NO)[C@H](c1ccccc1)c1c(-c2ccc3ccccc3c2)n(Cc2ccccc2)c2ccccc12 ZINC000299865993 JK Annotated Bother FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Br)n3)cc2)cc1 ZINC000299866098 JK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)Nc1ccc(C)cc1 ZINC000299866157 JK Annotated Anodyne O=C(/C=C1/C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21)Nc1ccc2ncccc2c1 ZINC000299866237 JK Annotated Anodyne CCOc1ccccc1N/N=C1\C(=O)N(c2cc(O)cc(-c3ccc(C(C)C)cc3)c2)N=C1C ZINC000299866314 JK Annotated Mild COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1 ZINC000299866351 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000299866352 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000299866353 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1 ZINC000299866354 JK Annotated Anodyne Cc1nc(-c2ccc(OCc3ccccc3)cc2)sc1CNc1ccnc(NCC(C)C)n1 ZINC000299866542 JK Annotated Anodyne CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CCC)N(CCc2cccc(C)c2)C1=N ZINC000299866701 JK Annotated Mild COc1cc(COCc2cn(Cc3cc(-c4ccc(C)cc4)cnc3Cl)nn2)cc(OC)c1OC ZINC000299866722 JK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4cccc(Cl)c4)nc3c2)c(C(F)(F)F)n1 ZINC000299866734 JK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(F)c(F)c4)nc3c2)c(C(F)(F)F)n1 ZINC000299866774 JK Annotated Anodyne COc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1[N+](=O)[O-] ZINC000299866787 JK Annotated Bother CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CC(=O)c1cc(OC(=O)c3ccccc3)ccc12 ZINC000299866894 JK Annotated Anodyne CCCCn1c(-c2ccc3ccccc3c2)c([C@@H](C(=O)NO)c2ccc(C(C)C)cc2)c2ccccc21 ZINC000299867005 JK Annotated Bother CCCCn1c(-c2ccc3ccccc3c2)c([C@H](C(=O)NO)c2ccc(C(C)C)cc2)c2ccccc21 ZINC000299867007 JK Annotated Bother CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299867255 JK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299867256 JK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299867257 JK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299867258 JK Annotated Reactive Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCN(C)C)c4ccc(Cl)cc4)c(F)c3)c2c1C ZINC000299867320 JK Annotated Anodyne CC[C@H](C)[C@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1CCc1cccc(C)c1 ZINC000299867492 JK Annotated Anodyne CC1=NN(c2cc(O)cc(-c3ccc(N(C)C)cc3)c2)C(=O)/C1=N\Nc1ccc2ccccc2c1 ZINC000299867538 JK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(COC)cc2)cc1 ZINC000299867548 JK Annotated Anodyne CCN(CC)CCC/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)c1ccccc1 ZINC000299867789 JK Annotated Mild COC(=O)c1cc(-c2nc(C(=O)OCc3ccccc3)cc3c2[nH]c2ccccc23)ccc1O ZINC000299867917 JK Annotated Anodyne CCCCCn1cc(COc2ccc(/C=C/C(=O)c3cc4c(cc3O)OC(C)(C)CC4)cc2)nn1 ZINC000299868015 JK Annotated Mild CCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1 ZINC000299868029 JK Annotated Mild C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(=O)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000299868243 JK Annotated Mild C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(=O)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000299868244 JK Annotated Mild O=C(/C=C1/C(=O)N(Cc2ccc(Br)cc2)c2ccccc21)Nc1ccc2ncccc2c1 ZINC000299868299 JK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(F)c(F)c4)nc3c2)c(C(F)F)n1 ZINC000299868314 JK Annotated Anodyne COc1ccc2nc(Cl)c(Cn3cc(CN4c5ccc(C)cc5C(C)=CC4(C)C)nn3)cc2c1 ZINC000299868465 JK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CSC1=O ZINC000299868474 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000299868934 JK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4NC4CCCC4)n3)cc2)cc1 ZINC000299869011 JK Annotated Anodyne O=C([C@@H]1C[C@H]1c1ccccc1)N(CCNCC1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000299869527 JK Annotated Anodyne CC(=O)c1nn(-c2ccc(C)cc2)/c(=N/c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)s1 ZINC000299869537 JK Annotated Mild C[Si](C)(C)C#Cc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299870031 JK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(CCC(=O)OC)cc2)cc1 ZINC000299870561 JK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)Nc1ccccc1 ZINC000299870712 JK Annotated Anodyne O=P(O)(O)CSc1nc2cc(-c3ccc(-c4ccc(F)cc4F)cc3)c(Cl)cc2[nH]1 ZINC000299870958 JK Annotated Anodyne Cc1nc2cc(Br)ccc2n1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000299871014 JK Annotated Anodyne CCC(CC)c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1 ZINC000299871226 JK Annotated Anodyne CC(C)=CCC/C(C)=C\Cc1cc(C(=O)/C=C/c2ccc(O)cc2)c(O)c(CC=C(C)C)c1O ZINC000299871403 JK Annotated Mild FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4NC4CCCCC4)n3)cc2)cc1 ZINC000299871608 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(COC(C)(C)C)cc2)cc1 ZINC000299871646 JK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)cc(C(=O)/C=C/c2ccc(O)cc2)c1O ZINC000299871708 JK Annotated Mild CCn1c(Cl)c2c(c1Cl)SSc1c(c(Cl)n(CC)c1Cl)SS2 ZINC000299871732 JK Annotated Reactive CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S/C=C\C(=O)O)n2CC2CCCCC2)ccn1 ZINC000299871781 JK Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1 ZINC000299872002 JK Annotated Anodyne CCNc1sc(NCC)c2c1SSc1c(NCC)sc(NCC)c1SS2 ZINC000299872037 JK Annotated Reactive CCO/C(O)=C(/C=Nc1ccccc1C(F)(F)F)Sc1ncc(C(F)(F)F)cc1Cl ZINC000299872382 JK Annotated Mild CCOC(=O)c1c(N=CN(C)C)sc(C=NNc2ccccc2)c1-c1ccccc1Cl ZINC000299872400 JK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C)C1(C)C ZINC000299872619 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1(C)C ZINC000299872620 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1(C)C ZINC000299872621 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C)C1(C)C ZINC000299872622 JK Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000299872673 JK Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000299872674 JK Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000299872675 JK Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000299872676 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC[C@H]3CCCO3)[C@@H](c3ccccc3F)C2=C(O)C1 ZINC000299872684 JK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC[C@H]3CCCO3)[C@H](c3ccccc3F)C2=C(O)C1 ZINC000299872685 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000299872694 JK Annotated Mild CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000299872695 JK Annotated Mild CCOc1ccc([C@@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)cc1OC ZINC000299872696 JK Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)cc1OC ZINC000299872697 JK Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)cc1OC ZINC000299872698 JK Annotated Anodyne Cc1c(O)c(O)cc2c1C[C@@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000299873116 JK Annotated Clean Cc1c(O)c(O)cc2c1C[C@@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000299873117 JK Annotated Clean Cc1c(O)c(O)cc2c1C[C@@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000299873118 JK Annotated Clean Cc1c(O)c(O)cc2c1C[C@@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000299873119 JK Annotated Clean O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299873659 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299873660 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299873782 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299873783 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299873784 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299873785 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299873790 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299873791 JK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299873864 JK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299873865 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299873899 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299873900 JK Annotated Anodyne Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000299874023 JK Annotated Anodyne Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000299874024 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000299874027 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299874028 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299874029 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000299874030 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299874044 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299874045 JK Annotated Anodyne Cc1ccc([C@H](CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@@H]32)c2ccco2)cc1 ZINC000299874106 JK Annotated Anodyne Cc1ccc([C@H](CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)c2ccco2)cc1 ZINC000299874107 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299874182 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299874183 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3)s2)cc1 ZINC000299874191 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3)s2)cc1 ZINC000299874192 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874243 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299874244 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874249 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874250 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874251 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299874264 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299874265 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299874276 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299874277 JK Annotated Anodyne CCCCN(CC)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299874288 JK Annotated Anodyne CCCCN(CC)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299874289 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299874297 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299874298 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874301 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874302 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000299874328 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000299874329 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299874404 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299874405 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874429 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874430 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299874440 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299874441 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299874503 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299874504 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299874540 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299874541 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)o1 ZINC000299874558 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)o1 ZINC000299874559 JK Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874564 JK Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874565 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874568 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874569 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874578 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874579 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299874586 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299874587 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000299874595 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000299874596 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000299874666 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000299874667 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000299874668 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000299874669 JK Annotated Anodyne CC1(C)COCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C ZINC000299874808 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCOCC(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299874809 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCOCC(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299874810 JK Annotated Anodyne CC1(C)COCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C ZINC000299874811 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874995 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874996 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299875024 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299875025 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1)c1ccccc1 ZINC000299875101 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1)c1ccccc1 ZINC000299875102 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1)c1ccccc1 ZINC000299875163 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1)c1ccccc1 ZINC000299875164 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875198 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875199 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299875234 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299875235 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc2ccccc12 ZINC000299875338 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc2ccccc12 ZINC000299875339 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc2ccccc12 ZINC000299875340 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc2ccccc12 ZINC000299875341 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299875419 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299875420 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299875429 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299875430 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299875486 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299875487 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875539 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875540 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299875582 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299875583 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc2ccccc2s1 ZINC000299875588 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc2ccccc2s1 ZINC000299875589 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299875616 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299875617 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299875633 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299875634 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000299875652 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@H]3CCCC[C@H]32)n1 ZINC000299875653 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000299875654 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000299875655 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1c(F)cccc1Cl ZINC000299875666 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1c(F)cccc1Cl ZINC000299875667 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1c(F)cccc1Cl ZINC000299875668 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1c(F)cccc1Cl ZINC000299875669 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000299875717 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000299875718 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875737 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875738 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000299875837 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000299875838 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000299875912 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2CC(C)C)cc1C ZINC000299876011 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299876055 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299876056 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299876077 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299876078 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1Br ZINC000299876120 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1Br ZINC000299876121 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1Br ZINC000299876122 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccccc1Br ZINC000299876123 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000299876143 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000299876144 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299876176 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299876177 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876255 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876256 JK Annotated Anodyne CCN(c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000299876286 JK Annotated Anodyne CCN(c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000299876287 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876308 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876309 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299876336 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299876337 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299876377 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299876378 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299876379 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)C1 ZINC000299876419 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)C1 ZINC000299876420 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)C1 ZINC000299876421 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)C1 ZINC000299876422 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876542 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876543 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876544 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876545 JK Annotated Anodyne Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299876619 JK Annotated Anodyne Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299876620 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)C1 ZINC000299876643 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)C1 ZINC000299876644 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)C1 ZINC000299876645 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)C1 ZINC000299876646 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000299876686 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000299876687 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000299876688 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)C1 ZINC000299876689 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000299876746 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299876747 JK Annotated Anodyne C[C@H]1[C@@H]2C[C@H](C[C@H]1Nc1ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n1)C2(C)C ZINC000299876748 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299876749 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299876791 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299876792 JK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299876885 JK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299876886 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)nc1-c1ccccc1 ZINC000299876945 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)nc1-c1ccccc1 ZINC000299876946 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000299877011 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000299877012 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299877077 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299877078 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000299877089 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000299877090 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000299877091 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000299877092 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877107 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877108 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2SC)C1 ZINC000299877121 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2SC)C1 ZINC000299877122 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299877179 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299877180 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877187 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877188 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000299877271 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299877351 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299877352 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C ZINC000299877353 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C ZINC000299877354 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877459 JK Annotated Mild C[C@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877460 JK Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877479 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877480 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299877501 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299877502 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877539 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877540 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)c1 ZINC000299877601 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)c1 ZINC000299877602 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000299877721 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000299877722 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299877759 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299877760 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299877761 JK Annotated Anodyne CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299877783 JK Annotated Anodyne CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299877784 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299877795 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299877796 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299877819 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299877820 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000299877890 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000299877891 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299877939 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000299877940 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299877941 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2C)oc1C ZINC000299877972 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2C)oc1C ZINC000299877973 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000299878023 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000299878024 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000299878034 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000299878035 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000299878036 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)c1 ZINC000299878037 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299878109 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299878110 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299878185 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299878186 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1c(F)cccc1Cl ZINC000299878205 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000299878206 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000299878207 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1c(F)cccc1Cl ZINC000299878208 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000299878405 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000299878406 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299878411 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299878412 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299878433 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299878434 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299878435 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(C#N)cc2)C1 ZINC000299878436 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299878455 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299878456 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878513 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878514 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299878515 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299878516 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878570 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878571 JK Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2coc3ccc(Cl)cc3c2=O)C[C@@H]1C ZINC000299878574 JK Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2coc3ccc(Cl)cc3c2=O)C[C@H]1C ZINC000299878575 JK Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2coc3ccc(Cl)cc3c2=O)C[C@H]1C ZINC000299878576 JK Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2coc3ccc(Cl)cc3c2=O)C[C@@H]1C ZINC000299878577 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000299878582 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000299878583 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000299878584 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299878586 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299878587 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299878600 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299878601 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299878652 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299878653 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299878794 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299878795 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299878796 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299878797 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299878867 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299878868 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000299879025 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000299879026 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)OCC(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299879090 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)OCC(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299879091 JK Annotated Anodyne CC1(C)COC(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C ZINC000299879092 JK Annotated Anodyne CC1(C)COC(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C ZINC000299879093 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299879105 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299879106 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299879107 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299879146 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299879147 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299879152 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299879153 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299879154 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299879155 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299879203 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299879204 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000299879205 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299879255 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299879256 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879270 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879271 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299879351 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299879352 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879413 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879414 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000299879455 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000299879456 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299879473 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299879474 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299879475 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299879476 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879499 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879500 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299879505 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299879506 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000299879513 JK Annotated Mild Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000299879514 JK Annotated Mild COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299879666 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299879667 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)C1 ZINC000299879833 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)C1 ZINC000299879834 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)C1 ZINC000299879835 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)C1 ZINC000299879836 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879943 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879944 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299879945 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880056 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880057 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880098 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880099 JK Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(CSCc5ccccc5)nc4n3)C[C@H]2C)c1 ZINC000299880219 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880262 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880263 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880317 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880318 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299880350 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299880351 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880355 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880356 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299880433 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299880434 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299880625 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299880626 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880716 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880717 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880724 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880725 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000299880728 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000299880729 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880739 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299880740 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880741 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000299880764 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000299880765 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000299880766 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000299880767 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299880824 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299880825 JK Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000299880826 JK Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000299880827 JK Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000299880828 JK Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000299880829 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299880832 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299880833 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880841 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880842 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000299880851 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000299880852 JK Annotated Anodyne C=C(C)C(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)C[C@H]4O[C@@]432)C1 ZINC000299880903 JK Annotated Mild C=C(C)C(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](c4ccc(=O)oc4)C[C@H]4O[C@@]432)C1 ZINC000299880904 JK Annotated Mild C=C(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](c4ccc(=O)oc4)C[C@H]4O[C@@]432)C1 ZINC000299880905 JK Annotated Mild C=C(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)C[C@H]4O[C@@]432)C1 ZINC000299880906 JK Annotated Mild O=C(NCCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O)OCc1ccccc1 ZINC000299880924 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299881053 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299881054 JK Annotated Anodyne C=CCN(c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000299881147 JK Annotated Mild C=CCN(c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000299881148 JK Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299881254 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299881267 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299881268 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299881269 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299881270 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000299881438 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000299881439 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299881478 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299881479 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881492 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881493 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2CC(C)C)c(C)c1 ZINC000299881536 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299881622 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299881623 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299881653 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299881654 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299881696 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299881697 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881945 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881946 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000299882101 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000299882102 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299882201 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299882202 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299882203 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299882348 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299882349 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299882399 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299882400 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299882401 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000299882422 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000299882423 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)Cc2ccccc2OC)C1 ZINC000299882481 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)Cc2ccccc2OC)C1 ZINC000299882482 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882491 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882492 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299882564 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000299882565 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299882566 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000299882571 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000299882572 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)OC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299882629 JK Annotated Reactive CC1(C)C(=O)OC(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C ZINC000299882630 JK Annotated Reactive CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)OC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299882631 JK Annotated Reactive CC1(C)C(=O)OC(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC(=O)[C@]3(CCC4(C)C)CC[C@]21C ZINC000299882632 JK Annotated Reactive C[C@@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882679 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882680 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000299882743 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000299882744 JK Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299882777 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299882778 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882915 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882916 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000299882940 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000299882941 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883095 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883096 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883143 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883144 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883145 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883146 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883421 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883422 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000299883474 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(SC)cc1 ZINC000299883475 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(SC)cc1 ZINC000299883476 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000299883477 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299883516 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299883517 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299883553 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299883554 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299883599 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299883600 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299883614 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299883615 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299883616 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299883617 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000299883631 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000299883632 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000299883633 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000299883634 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299883635 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299883636 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299883675 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299883676 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299883717 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299883718 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000299883733 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000299883734 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000299883852 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000299883853 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000299883870 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000299883871 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883872 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883873 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000299883917 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299883918 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299883919 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccco3)s2)cc1 ZINC000299883937 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccco3)s2)cc1 ZINC000299883938 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000299883943 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000299883944 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299883974 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299883975 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000299883988 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000299883989 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299884063 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299884064 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299884146 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299884147 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299884176 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299884177 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299884211 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299884212 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299884213 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000299884223 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000299884224 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000299884225 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000299884226 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299884245 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299884246 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2)c1 ZINC000299884256 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2)c1 ZINC000299884257 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884268 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884269 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000299884270 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000299884271 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000299884272 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000299884273 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299884312 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299884313 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299884416 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299884417 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299884418 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299884419 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc(C)c2)oc1C ZINC000299884435 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc(C)c2)oc1C ZINC000299884436 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299884443 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299884444 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299884478 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299884479 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000299884516 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000299884517 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299884533 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299884534 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC(C)CC3)n2)cc1 ZINC000299884561 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC(C)CC3)n2)cc1 ZINC000299884562 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299884618 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299884619 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299884709 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299884710 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299884755 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299884756 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000299884790 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000299884791 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(F)cc1 ZINC000299884809 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(F)cc1 ZINC000299884810 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(F)cc1 ZINC000299884811 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(F)cc1 ZINC000299884812 JK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299884841 JK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299884842 JK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299884843 JK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299884844 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCO)[C@H](C(C)(C)CO)CC[C@]43C)[C@@H]2[C@H]1O ZINC000299884947 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCO)[C@H](C(C)(C)CO)CC[C@]43C)[C@H]2[C@H]1O ZINC000299884948 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@](C)(CCO)[C@H](C(C)(C)CO)CC[C@]43C)[C@H]2[C@H]1O ZINC000299884949 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@](C)(CCO)[C@H](C(C)(C)CO)CC[C@]43C)[C@@H]2[C@H]1O ZINC000299884950 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885011 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885012 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299885089 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299885090 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299885158 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299885159 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299885160 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299885161 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299885190 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299885191 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299885192 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299885193 JK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3ccco3)C2)c1 ZINC000299885256 JK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3ccco3)C2)c1 ZINC000299885257 JK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3ccco3)C2)c1 ZINC000299885258 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299885283 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299885284 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299885353 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299885354 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299885470 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299885471 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299885472 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)c1 ZINC000299885483 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)c1 ZINC000299885484 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000299885500 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299885501 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299885502 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299885503 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000299885564 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000299885565 JK Annotated Anodyne CC(C)(CO)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCO ZINC000299885698 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CCO)[C@H](C(C)(C)CO)CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299885699 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CCO)[C@H](C(C)(C)CO)CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299885700 JK Annotated Anodyne CC(C)(CO)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCO ZINC000299885701 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299885728 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299885729 JK Annotated Anodyne CCCCCCN(C)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299885753 JK Annotated Anodyne CCCCCCN(C)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299885754 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885828 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885829 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299885888 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299885889 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299885930 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299885931 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299885932 JK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299885933 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000299885979 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000299885980 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000299886037 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000299886038 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000299886063 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000299886064 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000299886067 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000299886068 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000299886069 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000299886070 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299886134 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299886135 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000299886142 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000299886143 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299886171 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299886172 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299886173 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299886199 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299886200 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299886201 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299886202 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886372 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886373 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299886386 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299886387 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299886427 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299886428 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000299886446 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000299886447 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C ZINC000299886515 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C ZINC000299886516 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299886528 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299886529 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299886567 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299886594 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299886595 JK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299886613 JK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299886614 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000299886615 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000299886616 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299886617 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299886618 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299886651 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299886652 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(C)C)cc1 ZINC000299886705 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(C)C)cc1 ZINC000299886706 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000299886707 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000299886708 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)c1 ZINC000299886854 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)c1 ZINC000299886855 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299886858 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299886859 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)oc1C ZINC000299886862 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)oc1C ZINC000299886863 JK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000299886998 JK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000299886999 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000299887022 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000299887023 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(O)cc1 ZINC000299887024 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(O)cc1 ZINC000299887025 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000299887074 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000299887075 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299887155 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000299887156 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299887157 JK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000299887226 JK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000299887227 JK Annotated Anodyne C=C(C)CN(CC)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299887436 JK Annotated Mild C=C(C)CN(CC)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299887437 JK Annotated Mild Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000299887482 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000299887483 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000299887641 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000299887642 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299887683 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299887684 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299887685 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299887686 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299887758 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299887759 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000299887834 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000299887835 JK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887852 JK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887853 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299887890 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299887891 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887939 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887940 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887941 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887942 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299888057 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299888058 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299888067 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299888068 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1OC(C)C ZINC000299888082 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1OC(C)C ZINC000299888083 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1OC(C)C ZINC000299888084 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1OC(C)C ZINC000299888085 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299888115 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299888116 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299888117 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000299888171 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000299888172 JK Annotated Anodyne Cc1sc2nc(-c3ccccc3Cl)n(CC(=O)c3ccc(Br)cc3)c(=O)c2c1C ZINC000003017702 JK Annotated Anodyne O=S(=O)(c1cc(/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)ccc1F)N1CCCCC1 ZINC000003021541 JK Annotated Anodyne CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(/C(O)=N/c2ccccc2Br)c1 ZINC000003023575 JK Annotated Mild C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(/C(O)=N/c2ccccc2C(F)(F)F)c1 ZINC000003024007 JK Annotated Mild O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F ZINC000003024083 JK Annotated Anodyne COc1ccc(/N=C(\O)CSc2nc3nc(C)c(Cc4ccccc4C)c(C)n3n2)cc1OC ZINC000003045771 JK Annotated Mild Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1 ZINC000003166506 JK Annotated Reactive CC(=O)Oc1c(-c2ccccc2)oc2c(CC=C(C)C)c3c(c(OC(C)=O)c2c1=O)C=CC(C)(C)O3 ZINC000003197585 JK Annotated Anodyne in-vitro Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/n1cnc2scc(-c3ccccc3)c2c1=O ZINC000003220089 JK Annotated Mild C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F ZINC000003231418 JK Annotated Reactive O=C(N/N=C/c1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Br ZINC000003236933 JK Annotated Reactive CC(/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1 ZINC000003264506 JK Annotated Reactive O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003275181 JK Annotated Reactive CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1S[C@@H](C)C(=O)NCCc1ccc(OC)cc1 ZINC000003358675 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1S[C@H](C)C(=O)NCCc1ccc(OC)cc1 ZINC000003358677 JK Annotated Anodyne O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1Br ZINC000003371100 JK Annotated Reactive COc1ccc(C)cc1NC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000003440056 JK Annotated Anodyne CCCCCCCC/C(Br)=C(/Br)c1nnc2ccc(C)cc2c1Cl ZINC000301054981 JK Annotated Mild CC[C@H](C)N(C[C@@H](OC(=O)c1ccc(O)cc1)c1cccn1Cc1ccccc1Cl)[C@H](C)CC ZINC000030691697 JK Annotated Anodyne in-man CC[C@H](C)N(C[C@@H](OC(=O)c1ccc(O)cc1)c1cccn1Cc1ccccc1Cl)[C@@H](C)CC ZINC000030691699 JK Annotated Anodyne in-man CC[C@H](C)N(C[C@H](OC(=O)c1ccc(O)cc1)c1cccn1Cc1ccccc1Cl)[C@H](C)CC ZINC000030691706 JK Annotated Anodyne in-man CC[C@H](C)N(C[C@H](OC(=O)c1ccc(O)cc1)c1cccn1Cc1ccccc1Cl)[C@@H](C)CC ZINC000030691711 JK Annotated Anodyne in-man CC(=O)OC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000030726581 JK Annotated Anodyne in-vitro CO/C(=C/C(=O)N(C)[C@@H](Cc1ccccc1)c1nccs1)C[C@H](C)C(Cl)(Cl)Cl ZINC000030729526 JK Annotated Anodyne in-vitro CN[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/C2=C(C)CN(C)CC2)C1 ZINC000030731590 JK Annotated Anodyne C1=CC[C@](N2CCCCC2)(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)C=C1 ZINC000306146062 JK Annotated Anodyne C1=CC[C@@](N2CCCCC2)(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)C=C1 ZINC000306146063 JK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@H]2[C@H](CC[C@H]2CC)[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)O)CC[C@H]1C ZINC000306146102 JK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@H]2[C@H](CC[C@H]2CC)[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)O)CC[C@@H]1C ZINC000306146103 JK Annotated Anodyne CC(C)(Cl)C(Cl)(Cl)[C@H](Cl)COC[C@@H](Cl)C(Cl)(Cl)C(C)(C)Cl ZINC000306146372 JK Annotated Reactive CC(C)(Cl)C(Cl)(Cl)[C@@H](Cl)COC[C@@H](Cl)C(Cl)(Cl)C(C)(C)Cl ZINC000306146373 JK Annotated Reactive CC(C)(Cl)C(Cl)(Cl)[C@@H](Cl)COC[C@H](Cl)C(Cl)(Cl)C(C)(C)Cl ZINC000306146374 JK Annotated Reactive COc1oc([C@H]2C/C(=C/C(C)=C/C(C)=C/C(C)=C\c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C ZINC000306146499 JK Annotated Bother COc1oc([C@@H]2C/C(=C/C(C)=C/C(C)=C/C(C)=C\c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C ZINC000306146500 JK Annotated Bother CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C3=C[C@H](Cl)[C@@]2(O)C1 ZINC000306146524 JK Annotated Reactive CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C3=C[C@H](Cl)[C@]2(O)C1 ZINC000306146525 JK Annotated Reactive CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C\[C@H](C)C(C)C)C3=C[C@H](Cl)[C@]2(O)C1 ZINC000306146526 JK Annotated Reactive CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C\[C@H](C)C(C)C)C3=C[C@H](Cl)[C@@]2(O)C1 ZINC000306146527 JK Annotated Reactive Cc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(Cl)cc2[N+](=O)[O-])c1O ZINC000306147305 JK Annotated Clean CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000031168084 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000031262439 JK Annotated Mild CC1(C)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1 ZINC000031343414 JK Annotated Anodyne CC(/C=C/C=C(\C)c1ccc(C)c(=O)o1)=C1/C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000031356572 JK Annotated Mild CC(/C=C/C=C(\C)C(=O)O)=C\C=C/C(C)=C1/C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000031356594 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(CO)C[C@H]2[C@]1(C)CC3 ZINC000031393423 JK Annotated Mild in-vitro biogenic C=C(C(=O)O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000031415819 JK Annotated Anodyne C[C@H]1C[C@@H](C)[C@@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)cccc4o3)O2)O[C@@H]1[C@@H](C)C(=O)c1ccc[nH]1 ZINC000031425190 JK Annotated Anodyne in-vitro C[C@H]1C[C@H](C)[C@@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)cccc4o3)O2)O[C@@H]1[C@@H](C)C(=O)c1ccc[nH]1 ZINC000031425192 JK Annotated Anodyne in-vitro C=C(CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000031440831 JK Annotated Mild in-vitro CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(CO)C[C@H]42)C(=O)C[C@]31C ZINC000031457546 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Cl)cc1Br ZINC000031458305 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Br)cc1Cl ZINC000031458316 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000031458321 JK Annotated Bother COc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000031458333 JK Annotated Bother CCOc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000031458337 JK Annotated Bother CCCOc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000031458343 JK Annotated Bother CSc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000031458361 JK Annotated Bother CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)C[C@@H]5C=C(C)C(=O)O5)CC[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000031474949 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000031476076 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000031476081 JK Annotated Anodyne CC1=C(CC[C@@H]2[C@H](C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]32C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC1=O ZINC000031494909 JK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1cc(C(F)(F)F)ccc1Cl ZINC000031495615 JK Annotated Bother O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)C(F)F)cc1Br ZINC000031500155 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@H]2[C@]1(C)CC3 ZINC000031500579 JK Annotated Anodyne CC1=C(CC[C@@H]2[C@@]3(CC[C@@H]4OC(C)(C)C(=O)CC[C@]42C)CO3)[C@@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O ZINC000031500747 JK Annotated Mild CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C ZINC000031500845 JK Annotated Anodyne in-vitro CNc1nc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)cc1C(F)(F)F ZINC000031501456 JK Annotated Bother CC(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@]13O ZINC000031502533 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]1CC3 ZINC000031515106 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000031517070 JK Annotated Anodyne C=C(C)[C@@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C ZINC000031518209 JK Annotated Mild CC(C)(O)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000031538908 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O1 ZINC000031539804 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)C[C@H](O)[C@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)[C@@]1(C)CC3 ZINC000031539818 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000031539826 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000031539830 JK Annotated Anodyne CC[n+]1c(-c2ccccc2)c2cc(/N=N/Nc3ccc(C(=N)N)cc3)ccc2c2ccc(N)cc21 ZINC000031554335 JK Annotated Clean C[n+]1ccc(Nc2ccc(NC(=O)Nc3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000031560594 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000031769203 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(CO)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000031793452 JK Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)c1[nH]c3ccccc3c1[C@@H]1CCCCCCCCCC[C@@H]21 ZINC000031820930 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)[C@H]4Cc5cc(O)cc(C)c5O[C@@]4(C)CC[C@H]23)C1(C)C ZINC000031821210 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)Oc5c(C)cc(O)cc5C[C@@H]4[C@]3(C)CC[C@H]2C1(C)C ZINC000031821214 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@]2(C)Oc4c(C)cc(O)cc4C[C@@H]23)C1(C)C ZINC000031821218 JK Annotated Anodyne CCOC(=O)[C@H](N=C(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000031821278 JK Annotated Mild C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000031829706 JK Annotated Anodyne Cc1c([C@@H](Cc2ccccc2N(C)C(=O)/C=C\C(=O)O)c2c[nH]c3ccccc23)c2ccccc2n1C ZINC000031829865 JK Annotated Anodyne Cc1c([C@H](Cc2ccccc2N(C)C(=O)/C=C\C(=O)O)c2c[nH]c3ccccc23)c2ccccc2n1C ZINC000031829866 JK Annotated Anodyne COc1ccc(/C(=N/Nc2ccccc2)[C@@H](c2ccc(OC)cc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000031841371 JK Annotated Mild CC(=O)O[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@@H]1OC1(C)C ZINC000031851550 JK Annotated Anodyne CC(=O)O[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@H]1OC1(C)C ZINC000031851554 JK Annotated Anodyne O=C1C(=C/C=C2/SC(c3ccccc3)(c3ccccc3)c3ccccc32)C(=O)c2ccccc21 ZINC000031853103 JK Annotated Mild CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000031853438 JK Annotated Bother Cc1ccc2c(c1)C[C@]1(C2=O)[C@H](c2ccccc2)[C@@H]2C(=O)c3ccc(C)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000031862069 JK Annotated Anodyne Cc1ccc2c(c1)C[C@@]1(C2=O)[C@H](c2ccccc2)[C@@H]2C(=O)c3ccc(C)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000031862072 JK Annotated Anodyne Cn1c2n/c(=N\c3ccc(Cl)cc3)n3ccc4ccccc4c3c2c(=O)n1-c1ccccc1 ZINC000031870634 JK Annotated Anodyne C[C@@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000031870814 JK Annotated Anodyne C[C@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000031870815 JK Annotated Anodyne C[C@@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000031870816 JK Annotated Anodyne C[C@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000031870817 JK Annotated Anodyne CCN1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000031870927 JK Annotated Anodyne CCN1CC[C@](O)(c2ccc(Oc3ccccc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000031870928 JK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871773 JK Annotated Anodyne Cc1ccc(OC[C@H]2O[C@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871775 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](c4ccccc4)C[C@H]23)cc1 ZINC000031872436 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(F)cc4c2[C@H]2CC[C@H](c4ccccc4)C[C@H]23)cc1 ZINC000031872443 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)C)CC[C@@H]4c4c([nH]c5ccc(OC)cc45)[C@@H]3C2=O)cc1 ZINC000031872452 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C(C)C)C[C@H]23)cc1 ZINC000031872454 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](c4ccccc4)C[C@H]23)cc1 ZINC000031872457 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4c(C)cccc4c2[C@H]2CC[C@H](C(C)C)C[C@H]23)cc1 ZINC000031872461 JK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5cccc(Cl)c45)[C@@H]3C2=O)cc1 ZINC000031872466 JK Annotated Anodyne C[C@@H]1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2 ZINC000031894596 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@@H](C)[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000031894654 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@H](C)[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000031894658 JK Annotated Anodyne Cc1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000031895353 JK Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCCCCCCCCCCCO)cc2)c([N+](=O)[O-])c1 ZINC000031896968 JK Annotated Mild C1=C\CCCCN2C[C@H]3CCCC/C=C/CCCCN4CC[C@@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2 ZINC000031897189 JK Annotated Anodyne C1=C/CCCCN2C[C@H]3CCCC/C=C/CCCCN4CC[C@@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2 ZINC000031897190 JK Annotated Anodyne N#C[C@H](Cc1ccccc1Br)N(CCC1=CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000031898050 JK Annotated Mild N#C[C@@H](Cc1ccccc1Br)N(CCC1=CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000031898055 JK Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N/C(Sc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])C2 ZINC000031899182 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1nnc3ccccc31)C2 ZINC000031899200 JK Annotated Anodyne CCOc1ccc(N/C(=C(C(/Cl)=C(/Cl)N(CC)CC)\[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000031899223 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@H]1C1CCCCC1 ZINC000031900135 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@H]1C1CCCCC1 ZINC000031900139 JK Annotated Anodyne COC(=O)C[P@]1(=O)O[C@@H]2[C@@H]([C@@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000031900242 JK Annotated Anodyne COC(=O)C[P@@]1(=O)O[C@H]2[C@@H]([C@@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000031900245 JK Annotated Anodyne Cc1ccc(N/N=C(/N=N/C(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000031901445 JK Annotated Mild CN(C)c1ccc(/C(F)=C(F)/C(F)=C(F)\C(F)=C(/F)c2ccc(Br)cc2)cc1 ZINC000031901547 JK Annotated Clean CO[P@@](=O)([C@H](/C=C/c1ccccc1)OC(C)=O)[C@@H]1CCCC[C@H]1N(CC(C)(C)C)C(C)=O ZINC000031904773 JK Annotated Anodyne CCN1C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000031904850 JK Annotated Anodyne CC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)C[C@](C)(CCC=C(C)C)CC[C@]21C ZINC000031904909 JK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000031904910 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)c1 ZINC000031904911 JK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@@H]1C(=O)N(c2ccc4c(c2)OCO4)C(=O)[C@@H]31 ZINC000031904912 JK Annotated Anodyne O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)[C@H](SC(=S)N1CCCCC1)c1ccccc1 ZINC000031905223 JK Annotated Anodyne CCOC(=O)C[C@@H](C)[C@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905427 JK Annotated Mild CCOC(=O)C[C@H](C)[C@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905428 JK Annotated Mild CCOC(=O)C[C@@H](C)[C@@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905429 JK Annotated Mild CCOC(=O)C[C@H](C)[C@@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905430 JK Annotated Mild O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000031905578 JK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000031905581 JK Annotated Anodyne O=C(c1cccnc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000031905828 JK Annotated Anodyne COc1ccc(-c2cc(-c3cc4cc(Br)ccc4nc3Cl)c(C#N)c(N)n2)cc1 ZINC000031905871 JK Annotated Mild NC(=O)[C@@H](Nc1c(Cl)cccc1Cl)c1cc2cc(Br)ccc2nc1Cl ZINC000031905882 JK Annotated Anodyne COc1ccc(/C=C2\C[C@H]3[C@@H]4CCC5=C/C(=N/O)CC[C@]5(C)[C@H]4CC[C@]3(C)\C2=N\O)cc1OC ZINC000031905890 JK Annotated Mild O=C(CCS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000031908139 JK Annotated Anodyne CN1CCN(C(=O)CCC(=O)Nc2cc3c(c4ccccc24)-c2ccc4ccccc4c2C3)CC1 ZINC000031909175 JK Annotated Anodyne CCN(CC)C(=S)S[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000031909261 JK Annotated Anodyne CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c2c1cc(O)c1[nH]c3c(c12)CCCC3 ZINC000031909700 JK Annotated Anodyne O=C1c2ccccc2CS[C@@]12ON=C(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000031909953 JK Annotated Bother O=C1c2ccccc2CS[C@]12ON=C(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000031909955 JK Annotated Bother O=C1c2ccccc2CS[C@@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000031909957 JK Annotated Bother O=C1c2ccccc2CS[C@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000031909960 JK Annotated Bother CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@H](O)C4)CC[C@]23C)OC1=O ZINC000031997031 JK Annotated Anodyne in-vitro biogenic CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5[C@H](O)C4)CC[C@]23C)OC1=O ZINC000031997035 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5C=C4)CC[C@]23C)OC1=O ZINC000031997040 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C(CCC(=O)O)C(=C(C)C)C=C4)CC[C@]23C)OC1=O ZINC000031997044 JK Annotated Anodyne in-vitro biogenic FC(F)(F)c1cccc(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)c1 ZINC000032011121 JK Annotated Clean C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(CO)CC[C@]12C ZINC000032022414 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000032022446 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000032022452 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000032022457 JK Annotated Anodyne C[C@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000032023188 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000032035971 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000032035973 JK Annotated Anodyne CC(C)=CCC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=C[C@@H](O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21 ZINC000032036946 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000032038123 JK Annotated Anodyne C=CC(C)(C)c1cc2c(cc1O)O[C@H](c1cc(O)c(O)c(CC=C(C)C)c1CC=C(C)C)CC2 ZINC000032050019 JK Annotated Mild CC(=O)[C@]1(CC2=C[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3C=C2)CC[C@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@H]1C ZINC000032050958 JK Annotated Anodyne in-vitro CCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@H]2[C@@]1(C)CC)[C@H](C)OC5=O ZINC000032053246 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3C1 ZINC000032062225 JK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000032068985 JK Annotated Anodyne CC(C)n1nc(COC(N)=O)c(Cc2ccncc2)c1Sc1cc(Cl)cc(Br)c1 ZINC000032139043 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000032139522 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CCC4=C(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000032235574 JK Annotated Anodyne COc1cc([C@H]2[C@H](c3ccccc3)[C@H](c3ccccc3)[C@H]2c2cc(OC)cc(=O)o2)oc(=O)c1 ZINC000032255412 JK Annotated Anodyne O[C@@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000032286482 JK Annotated Anodyne O[C@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000032286484 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)c(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000032296226 JK Annotated Mild C=C(C)[C@@]1(O)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000032296269 JK Annotated Mild O[C@H]1C[C@H]2CCCCCC[C@@H]3CCN4CCC[C@@H](CCCCCC[C@@H]5CCN(C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 JK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@H]4[C@@]56CCCC(C)(C)[C@@H]5C[C@H](OC6=O)[C@]4(O)[C@@]3(C)CC[C@]12C ZINC000032296433 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000032296527 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000032296532 JK Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000032296537 JK Annotated Mild [O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 ZINC000032296548 JK Annotated Bother C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000032296808 JK Annotated Mild C/C(=C/CC[C@@H](C)C1=C2[C@H](C)C[C@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]2(C)CC1)C(=O)O ZINC000032303211 JK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(N2CCOCC2)CCCC1 ZINC000032620503 JK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(N2CCOCC2)CCCC1 ZINC000032620504 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc(OC)c1O ZINC000032655134 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc(OC)c1O ZINC000032655135 JK Annotated Anodyne CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000032787926 JK Annotated Mild CC1=C(O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000032787931 JK Annotated Mild CC1=C(O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@]2(C)[C@@H]3C[C@@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000032787941 JK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]21C ZINC000328577262 JK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]21C ZINC000328577263 JK Annotated Mild CC(C)CC(=O)O[C@H]1[C@@H](N2CCCCC2)c2c(ccc(/C=C\C(=O)N3CCCCC3)c2O)OC1(C)C ZINC000033246151 JK Annotated Clean CCN(CC)c1ccc(/C=C\C(O)=N\CCN2CCC(N(C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000033248033 JK Annotated Mild CCc1cccc(CC)c1NC(=O)n1cc2c(c1)/C(=N\C(=O)c1ccc(N3CCN(C)CC3)cc1)N=N2 ZINC000033295980 JK Annotated Mild O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1Cl ZINC000033315726 JK Annotated Clean Cc1nnc(N2C(=N)S/C(=C/c3ccc(-c4ccc(OC(F)(F)F)cc4)o3)C2=O)s1 ZINC000033338213 JK Annotated Anodyne O[C@@H](CN1CCN(C/C=C\c2ccccc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000033339314 JK Annotated Anodyne O[C@H](CN1CCN(C/C=C\c2ccccc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000033339315 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cc3n[nH]c4nnccc34)c2F)c1 ZINC000033360191 JK Annotated Mild in-vivo Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)n(C)n1 ZINC000033363659 JK Annotated Anodyne C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1 ZINC000033363660 JK Annotated Anodyne C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccccc1 ZINC000033363670 JK Annotated Anodyne CCCC[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000033363673 JK Annotated Anodyne CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(Cl)cc1 ZINC000033363677 JK Annotated Anodyne O=S(=O)(N/N=C\c1ccc(Cl)cc1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000033372563 JK Annotated Mild Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CCC3CCCC3)nc2c1 ZINC000033381843 JK Annotated Anodyne CC[C@@H](C(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000033413294 JK Annotated Anodyne CC[C@H](C(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000033413295 JK Annotated Anodyne O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)c1cccc(Br)c1 ZINC000033430682 JK Annotated Bother CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12 ZINC000033437993 JK Annotated Anodyne CC(C)=CCC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=C[C@H](O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21 ZINC000033488270 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000033495540 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033495541 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1C[C@H](OC)c2c3c(cc(C)c21)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033504518 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1C[C@@H](OC)c2c3c(cc(C)c21)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033504520 JK Annotated Mild CCOc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000033529456 JK Annotated Anodyne CCOc1ccc(-n2c(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000033529457 JK Annotated Anodyne CCc1ccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000033562330 JK Annotated Anodyne C[C@@H](CC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C)CC(C)(C)C ZINC000033628460 JK Annotated Anodyne C[C@H](CC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C)CC(C)(C)C ZINC000033628461 JK Annotated Anodyne O=C(O)CC/C=C\CC[C@@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@@H]1N1CCCCC1 ZINC000033659407 JK Annotated Anodyne in-vitro Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)Cc3ccccc3)nc2c1 ZINC000033674654 JK Annotated Anodyne Cc1nc(N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)sc1C(=O)N(C)C ZINC000033678996 JK Annotated Anodyne Cc1nc(N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@@H]2c2ccc(F)cc2)sc1C(=O)N(C)C ZINC000033678997 JK Annotated Anodyne COc1ccccc1C(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000033718912 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CS[C@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731728 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CS[C@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731729 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731730 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731731 JK Annotated Anodyne CCOc1ccc(N/C(=C(C(/Cl)=C(/Cl)NC(C)(C)C)\[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000033753176 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000033753596 JK Annotated Anodyne in-vitro C/C(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=C\c1ccco1 ZINC000033765920 JK Annotated Anodyne N=C(O)c1cc2cc(Br)ccc2o/c1=N\c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000033776099 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000033777043 JK Annotated Reactive CC(C)(C)OC(=O)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000033777045 JK Annotated Reactive CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)c(-c3ccsc3)c2C1 ZINC000033786135 JK Annotated Mild O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C(=Nc2ccccc2)S1 ZINC000033793658 JK Annotated Anodyne O=C(O)c1cn([C@H](CO)C2CCCCC2)c2ccc(Cc3cccc(Cl)c3F)cc2c1=O ZINC000033818062 JK Annotated Anodyne COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C1CCCCC1 ZINC000033818083 JK Annotated Anodyne C/C(=C\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO ZINC000033818835 JK Annotated Anodyne C/C=C(C)/C=C/C=C/[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C ZINC000033821517 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)O3)cc1 ZINC000033829805 JK Annotated Anodyne CC1=C(O)C(=O)C[C@@H]2[C@]1(C=O)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000033830075 JK Annotated Mild in-vitro biogenic C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C ZINC000033830100 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)Cl)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033830154 JK Annotated Anodyne CC(C)=C1CC[C@H]2[C@]3(C)CC[C@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@@H]1CCC(=O)O ZINC000033830389 JK Annotated Anodyne in-vitro biogenic CC(C)(C)CCN(CCC[C@@]1(O)CC[C@H](O)c2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000033830814 JK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033830883 JK Annotated Mild C=C(CC[C@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033830884 JK Annotated Mild C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033830887 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033830893 JK Annotated Mild CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000033830904 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000033830941 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000033830997 JK Annotated Anodyne C/C1=C\[C@H]2[C@@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000033831136 JK Annotated Anodyne in-vitro biogenic C/C1=C\[C@H]2[C@@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000033831138 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C=O)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000033831224 JK Annotated Mild C[C@H]1C(=O)CC(=O)[C@H]2[C@]1(C=O)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000033831225 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000033831325 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1C[C@H]3O)C(=O)O ZINC000033831334 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O ZINC000033831335 JK Annotated Anodyne C[C@H](CC[C@@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000033831365 JK Annotated Anodyne C[C@H](CC[C@@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000033831367 JK Annotated Anodyne C[C@H](CC[C@@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000033831368 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/c4ccc(O)cc4O)ccc3[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000033831484 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)O3)cc1 ZINC000033831486 JK Annotated Anodyne Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000033831635 JK Annotated Anodyne in-vitro CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000033831835 JK Annotated Mild in-vitro biogenic CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000033831836 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC[C@]13C ZINC000033831840 JK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@H](O)C[C@]13C ZINC000033831844 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000033831935 JK Annotated Reactive CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]2(C)O ZINC000033831940 JK Annotated Reactive in-vitro biogenic C=C(CC[C@@H](C(=O)OC)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033832609 JK Annotated Mild C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000033832612 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000033832620 JK Annotated Mild COC(=O)[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000033832796 JK Annotated Anodyne C[C@@H]1C=C[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46C=C[C@]3(C)[C@H]21 ZINC000033832869 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](C)CO ZINC000033833165 JK Annotated Mild CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000033833235 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000033833236 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000033833398 JK Annotated Anodyne CC1(C)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000033833574 JK Annotated Anodyne in-vitro biogenic CC1=C2CC[C@@H]3[C@H](C(=O)C[C@]4(C)[C@@H]([C@@](C)(O)CC/C=C(\C)C(=O)O)CC[C@@]34C)[C@H]2CCC1=O ZINC000033833739 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000033834020 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000033834021 JK Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1Oc1ccccc1)C[C@H](C)[C@@](C)(O)C2 ZINC000033834025 JK Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](Oc1ccccc1)[C@@H](C)[C@@H](C)C2 ZINC000033834031 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O)[C@@](C)(O)CCC=C(C)C ZINC000033836489 JK Annotated Anodyne CO[C@@H](C/C=C\C=C\CC/C=C/C[C@@H](C)/C=C/C(=C\C(=O)O)CC(=O)O)/C(C)=C\C=C(/C)C(=O)O ZINC000033848888 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@@H]3C)c1 ZINC000033858514 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@H]3C)c1 ZINC000033858515 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@@H]3C)c1 ZINC000033858516 JK Annotated Anodyne CSc1cccc(NC(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@H]3C)c1 ZINC000033858517 JK Annotated Anodyne CCCC[C@@H](CC)COCCCNC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000033863189 JK Annotated Anodyne CCCC[C@H](CC)COCCCNC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000033863190 JK Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@@H](C)[C@@H]21 ZINC000033874027 JK Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@H](C)[C@@H]21 ZINC000033874029 JK Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@@H](C)[C@@H]21 ZINC000033874031 JK Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)Nc4ccc(F)cc4F)nc3[C@H](C)[C@@H]21 ZINC000033874033 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1=O ZINC000033902646 JK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@H]([C@@]2(C)OC(=O)[C@]34CC=C5C(=CC[C@@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]3(C)CC[C@H]24)O1 ZINC000033903736 JK Annotated Anodyne CN(C)c1ccc(C(/C=C2/C=C(c3ccccc3)C=C(c3ccccc3)O2)=C2C=CC(=[N+](C)C)C=C2)cc1 ZINC000033907169 JK Annotated Mild O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)cc1 ZINC000033909379 JK Annotated Mild C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(=O)/C=C/c1ccccc1)C/C(C)=C\CC/C(C)=C\CC[C@@]2(C)O ZINC000033913382 JK Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(=O)/C=C/c1ccccc1)C/C(C)=C\CC/C(C)=C\CC[C@]2(C)O ZINC000033913383 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H]4OC(=O)[C@@]5(CC[C@@]6(C)CCC(C)(C)C[C@@H]6[C@]45C)[C@H]3CC[C@@]21C ZINC000033913501 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(CO)[C@@H]5CC(C)(C)C(=O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033913503 JK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(C)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000033913617 JK Annotated Anodyne C[C@H](N)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@@H](O)[C@H](C)N ZINC000033917143 JK Annotated Anodyne CC(=O)OC(/C=C/c1ccccc1)=C(\OC(C)C)C1=C(c2ccccc2)SCCCSC1=O ZINC000033917190 JK Annotated Mild CO[P@@](=O)([C@@H](/C=C/c1ccccc1)OC(C)=O)[C@@H]1CCCC[C@H]1N(CC(C)(C)C)C(C)=O ZINC000033917342 JK Annotated Anodyne CCC[C@H](N[S@@](=O)c1ccc(C)cc1)C(C(=O)OCC)=C(c1ccccc1)c1ccccc1 ZINC000033917441 JK Annotated Anodyne COc1ccc(C2=C(Cl)C(=O)O/C2=C\c2ccc(OC)c(Br)c2)cc1Cl ZINC000033917547 JK Annotated Anodyne CO/C(=C\C(N)=O)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000033937783 JK Annotated Anodyne in-vitro CO/C(=C\C(N)=O)[C@H](C)[C@@H](/C=C/c1csc(-c2csc([C@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000033937784 JK Annotated Anodyne CO/C(=C\C(N)=O)[C@H](C)[C@@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000033937785 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000033949725 JK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000033949919 JK Annotated Anodyne O=C(O)CC/C=C/CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@@H]1N1CCCCC1 ZINC000033953295 JK Annotated Anodyne in-vitro C/C1=C/C[C@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O ZINC000033954141 JK Annotated Reactive in-vitro C/C1=C/C[C@@]23OC(C)(C)[C@@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C\CC1)C3=O ZINC000033954142 JK Annotated Reactive in-vitro CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000033954143 JK Annotated Reactive in-vitro C/C(=C\C[C@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000033954259 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000033954260 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000033954261 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CF)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000033954262 JK Annotated Clean C/C=C(/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033954949 JK Annotated Anodyne CC(/C=C/C=C(\C)c1ccc(C)c(=O)o1)=C1/C(=O)C[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000033954986 JK Annotated Mild C[C@H]([C@H](O)/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000033955582 JK Annotated Anodyne C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCCCCC[C@H](O)[C@@H](C)N ZINC000033955981 JK Annotated Anodyne C[n+]1ccc(Nc2ccc(/C=C/c3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000033956333 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000033971840 JK Annotated Anodyne CC1=C(O)C(=O)C[C@@H]2[C@]1(C=O)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000034000868 JK Annotated Mild CC1=C(O)C(=O)C[C@H]2[C@]1(C=O)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000034000869 JK Annotated Mild CC1=C(O)C(=O)C[C@@H]2[C@]1(C=O)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000034000870 JK Annotated Mild CC1=C(O)C(=O)C[C@H]2[C@]1(C=O)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000034000871 JK Annotated Mild O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000034013431 JK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000034013515 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000034013827 JK Annotated Anodyne C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@H]2C(C)=CC[C@@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000034014229 JK Annotated Mild in-vitro C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)/C(C)=C\CC1 ZINC000034025593 JK Annotated Anodyne C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCOCC3)C[C@@H]21 ZINC000034037047 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@H]1C)OCO3 ZINC000034073112 JK Annotated Anodyne C/C=C(C)/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)CC[C@H]2[C@@H]1C(=O)C1=C[C@](O)(Cc2ccccc2)NC1=O ZINC000034073284 JK Annotated Mild C/N=c1\ncn(C)c2ncn(C/C=C(\C)CC[C@]3(C)[C@@H]4CCCC(C)(C)[C@]4(O)CC[C@H]3C)c12 ZINC000034073376 JK Annotated Anodyne CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@H]2[C@@]1(C)CC[C@@]21C=C(C(C)C)CC[C@H]1C ZINC000034073448 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000034073458 JK Annotated Mild CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C/C(=C/c2ccc(O)cc2)NC1=O ZINC000034073512 JK Annotated Mild CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C/C(=C/c2ccc(O)cc2)NC1=O ZINC000034073513 JK Annotated Mild COc1ccccc1CC(=N)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000034073666 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000034073901 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000034074048 JK Annotated Anodyne C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCCCC3)C[C@@H]21 ZINC000034074273 JK Annotated Anodyne investigational C#C[C@H](O)/C=C/CCCCC/C=C\C/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O ZINC000034074416 JK Annotated Mild CC(C)CCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000034074778 JK Annotated Bother CC(C)c1ccoc1C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=C(O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000034074869 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O ZINC000034074871 JK Annotated Mild in-vitro CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]23O4)C1(C)C ZINC000034075022 JK Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000034075173 JK Annotated Anodyne in-vitro biogenic CC(C)(C)C(=O)Nc1ccc(-c2nc3n(c2-c2ccc(NC(=O)C(C)(C)C)cc2)CCS3)cc1 ZINC000034079732 JK Annotated Anodyne FC(F)(F)COc1ccc(-c2nc3n(c2-c2ccc(OCC(F)(F)F)cc2)CCS3)cc1 ZINC000034079733 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@]1(C)OC(C)(C)[C@H](O)CC1=O ZINC000034084205 JK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000034106436 JK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000034106438 JK Annotated Mild C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C ZINC000034108842 JK Annotated Mild in-vitro biogenic CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO ZINC000034108852 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000034124041 JK Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000034131179 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000034131199 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000034131302 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000034131311 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000034131318 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc2ccccc12 ZINC000034131328 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000034131330 JK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1C ZINC000034131340 JK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1/C=C/c1ccccc1 ZINC000034131349 JK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C#N)cc1 ZINC000034131359 JK Annotated Mild CCOC(=O)C1=C[C@@H](C(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000034131372 JK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 ZINC000034131543 JK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 ZINC000034131639 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000034138323 JK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 ZINC000034138324 JK Annotated Anodyne CCSc1sc(CC)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccc(C)cn1 ZINC000034138465 JK Annotated Anodyne CCSc1sc(CC)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccc(C)cn1 ZINC000034138466 JK Annotated Anodyne COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000034139211 JK Annotated Clean C[C@@H]1CCCC[C@@H]1N(C)C1CCN(CCC/N=C(O)/C=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000034145478 JK Annotated Mild CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC)cc1 ZINC000034148334 JK Annotated Anodyne CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000034148354 JK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)O[C@@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000034148511 JK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000034149077 JK Annotated Mild C[C@@H]1CC[C@H]2C(=O)O[C@H](COc3ccc(C(C)(C)C)cc3)CN2[C@H]1c1ccc(Br)cc1 ZINC000034149093 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000034149103 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N\O[C@@H](C)CN1CCCc3nc(C)c(C)cc31)C2 ZINC000034149110 JK Annotated Mild C[C@@H]1CC[C@H]2C(=O)O[C@@H](COc3ccc(C(C)(C)C)cc3)CN2[C@H]1c1ccc(Br)cc1 ZINC000034149114 JK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)O[C@@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000034149124 JK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000034149318 JK Annotated Mild C/C(=C\[C@H](O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000034161738 JK Annotated Anodyne C=C(CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)OC ZINC000034161742 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(/C)C[C@]23O[C@H](C[C@@]4(O)[C@@H]2[C@]2(C)CCC[C@@]24C)C(C)(C)O3)c1 ZINC000034164518 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@]23O[C@H](C[C@@]4(O)[C@@H]2[C@]2(C)CCC[C@@]24C)C(C)(C)O3)c1 ZINC000034164519 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@@]3(C)CCC[C@@]3(C)[C@@](O)(C[C@H]3OC3(C)C)O2)c1 ZINC000034164520 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@]1(C)CC3 ZINC000034168967 JK Annotated Anodyne in-vitro C[C@H](CC[C@@H]1SC1(C)C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000034172379 JK Annotated Anodyne C[C@H](CC[C@@H]1SC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000034172383 JK Annotated Anodyne CO[C@H]1ON=C(c2c(C)cc(C)cc2C)[C@@H]1[C@]1(c2ccccc2)ON=C(c2c(C)cc(C)cc2C)O1 ZINC000034172449 JK Annotated Anodyne CC(=O)O[C@H]1CCc2c(cc(N)c3c2C(=O)C[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]32C)C1(C)C ZINC000034172475 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@@H](O)[C@](C)(C(=O)O)[C@@H]1CC3=O ZINC000034176764 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@@H](O)[C@](C)(C(=O)O)[C@@H]1CC3=O ZINC000034176765 JK Annotated Anodyne C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000034176929 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](O)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000034182896 JK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000034187405 JK Annotated Anodyne in-vivo CC[C@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000034187406 JK Annotated Anodyne in-vivo CC[C@@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@](C)(CCC=C(C)C)C=C2 ZINC000034187407 JK Annotated Anodyne in-vivo CC[C@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@](C)(CCC=C(C)C)C=C2 ZINC000034187408 JK Annotated Anodyne in-vivo C/C(=C\C(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000034194574 JK Annotated Anodyne CC1(C)C=C2[C@H]3C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000034199707 JK Annotated Anodyne C/C(=C\CC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000034208601 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@H](C)C2=CC=C3C(C)(C)C(=O)C=C[C@]3(C)[C@H]2CC[C@@H]1C)C(=O)O ZINC000034208606 JK Annotated Mild Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000034208666 JK Annotated Anodyne in-vitro biogenic C/C1=C\CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](CC(C)C)[C@H]2[C@H]2[C@H](CC1)C2(C)C ZINC000034208690 JK Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1CC[C@@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000034208691 JK Annotated Mild in-man C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1CC[C@@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000034208692 JK Annotated Mild in-man C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1CC[C@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000034208693 JK Annotated Mild in-man C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1CC[C@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000034208695 JK Annotated Mild in-man C[C@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000034208819 JK Annotated Anodyne C=C(C)[C@@H]1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000034209030 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C\CCCCCCCCCC[C@H](O)C#CC#CCO ZINC000034212580 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C\CCCCCCCCC[C@H](O)C#CC#CCO ZINC000034212583 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)C[C@@]2(O)C[C@@]3(C)CCC[C@@]3(C)C(=O)[C@@H]2CC(C)(C)O)c1 ZINC000034212610 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(/C)CC(=O)C[C@]2(C)CCC[C@]2(C)C(=O)CCC(C)(C)O)c1 ZINC000034212613 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000034212905 JK Annotated Anodyne CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000034226231 JK Annotated Anodyne CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000034226232 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@@H]2C[C@H](O)C(C)(C)O2)c1 ZINC000034250345 JK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000034255930 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]5(C)C(C)=C(O)C(=O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000034256341 JK Annotated Mild C/C(=C/CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)CO ZINC000034265053 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)OC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)CO ZINC000034265055 JK Annotated Anodyne Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl ZINC000034271678 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000034275556 JK Annotated Reactive CCc1c(CCNCC/C=C/CCNCCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000034276414 JK Annotated Anodyne CC(C)(O)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000034285778 JK Annotated Anodyne C[C@@H]1CN2CCC[C@H]3CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H]1O[C@@H]32)[C@@H]5O4 ZINC000034287858 JK Annotated Anodyne C[C@H]1CN2CCC[C@H]3CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H]1O[C@@H]32)[C@@H]5O4 ZINC000034287859 JK Annotated Anodyne C=C(C)[C@@H](Cc1cc(OC)cc(C)c1O)C(=O)[C@H]1[C@]2(C)CCC[C@]2(C)[C@@]12C[C@H](O)C(C)(C)O2 ZINC000034290437 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)[C@@H](CCCC2(C)C)[C@]1(C)CC3 ZINC000034294855 JK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H](C)C1=O ZINC000034302790 JK Annotated Anodyne CC(C)CC(=O)C[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000034302882 JK Annotated Anodyne CC(C)CC(=O)C[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000034302883 JK Annotated Anodyne CC(C)CC(=O)C[C@]1(C)OC(=O)[C@]23CCC4=C(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000034302884 JK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034309837 JK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)[C@H](O)CC=C(C)C)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000034310440 JK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000034310450 JK Annotated Mild CC[C@@H]1Oc2oc(cc(=O)c2Br)CCC#CC/C=C\C/C=C\C[C@@H]1Br ZINC000034326716 JK Annotated Reactive C=C(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000034326993 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(CO)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000034332550 JK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](c2cnccn2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034359142 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000034375329 JK Annotated Anodyne CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2ccc(CO)c(CO)c2)ccc1CC ZINC000034377358 JK Annotated Anodyne Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccc(F)c(F)c3)c1)CCC2 ZINC000034377455 JK Annotated Anodyne C/C(=C\CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O)CC/C=C(\C)C(=O)O ZINC000034395267 JK Annotated Anodyne C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000034419473 JK Annotated Anodyne C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCN(Cc1ccccc1)C3 ZINC000034419475 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c[nH]c3ccccc23)=C(CC=C(C)C)C1=O ZINC000034470972 JK Annotated Mild in-vitro C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000034473701 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000034473832 JK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)c5ccc(F)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034480671 JK Annotated Mild CCOC(C)(C)[C@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O ZINC000034480888 JK Annotated Mild CC(C)CCn1c(Cn2c(=O)n(C(=O)NCc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000034481610 JK Annotated Anodyne COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(C(F)(F)F)cc(OC)c21 ZINC000034481802 JK Annotated Anodyne C=CC(C)(C)c1ccc2c3c([nH]c2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)C4=C[C@@H](O)[C@@H](C(=C)C)O[C@H]4CC[C@@]21C)C3 ZINC000034490712 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000034509495 JK Annotated Mild C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000034509623 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3 ZINC000034526583 JK Annotated Anodyne CC(C)(C)C1=CC(=C/C=C/c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)C=C(C(C)(C)C)S1 ZINC000034530999 JK Annotated Anodyne CC1=C[C@](O)(C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000034538264 JK Annotated Anodyne C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@]12CC[C@@H]([C@@]1(C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)O2 ZINC000034542063 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC/C=C(\C)CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000034549212 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC/C=C(\C)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000034549213 JK Annotated Anodyne C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@]12CC[C@@H]([C@@]1(C)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]31C)O2 ZINC000034574981 JK Annotated Anodyne CC1(C)O[C@H]2CC[C@]3(C)/C(=C4\CC[C@@H]5OC(C)(C)[C@H](O)CC[C@@]5(C)C4)CC[C@H]3[C@]2(C)CC[C@@H]1O ZINC000034574982 JK Annotated Anodyne CC1=C(CC[C@]2(C)[C@@H](C)CC[C@@H]3O[C@]4(O)CC[C@@]32OC4(C)C)[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC1 ZINC000034574986 JK Annotated Anodyne C[C@H]1CC[C@]23O[C@H](CC[C@@H]2[C@@]1(C)CC[C@]1(C)[C@@H](C)CC[C@@H]2O[C@]4(O)CC[C@@]21OC4(C)C)C(C)(C)O3 ZINC000034574988 JK Annotated Anodyne CC1=C(CC[C@@H]2[C@H](C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]32C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC1=O ZINC000034574990 JK Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5C[C@H]5O[C@]54C[C@]3(C)CC[C@@H]12 ZINC000034575158 JK Annotated Anodyne COc1cc(/C=C2\Cc3ccccc3/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000034579584 JK Annotated Mild C=C(C(C)C)[C@H](C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC)C(C)(C)[C@@H]1CC3)OC ZINC000034580818 JK Annotated Mild C=C[C@]1(C)COC(=O)[C@@]12O[C@@]1(c3ccccc3)[C@@H](C2=O)[C@@H]2[C@H]1C(C)=CC[C@@H]2[C@H](C)CCC=C(C)C ZINC000034587119 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C(=O)C(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000034587807 JK Annotated Clean C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O ZINC000034587824 JK Annotated Anodyne Cc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000034588898 JK Annotated Anodyne Cc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000034588900 JK Annotated Anodyne Cc1ccccc1/C=C1\CSC[C@@H]2C1=NN(CCCN1CCN(C)CC1)[C@@H]2c1ccccc1C ZINC000034588902 JK Annotated Anodyne Cc1ccccc1/C=C1\CSC[C@H]2C1=NN(CCCN1CCN(C)CC1)[C@@H]2c1ccccc1C ZINC000034588905 JK Annotated Anodyne CCc1nc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1 ZINC000034602353 JK Annotated Anodyne CC[C@H](Oc1ccc(C2(c3ccc(O[C@@H](CC)C(=O)O)c(C)c3)CCCCC2)cc1C)C(=O)O ZINC000034604152 JK Annotated Anodyne CC[C@H](Oc1ccc(C2(c3ccc(O[C@H](CC)C(=O)O)c(C)c3)CCCCC2)cc1C)C(=O)O ZINC000034604154 JK Annotated Anodyne CC[C@@H](Oc1ccc(C2(c3ccc(O[C@H](CC)C(=O)O)c(C)c3)CCCCC2)cc1C)C(=O)O ZINC000034604157 JK Annotated Anodyne CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)C(C)C)(C1=O)C3=O ZINC000034608039 JK Annotated Mild CC(C)=CC(=O)C[C@@H](C)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000034609735 JK Annotated Anodyne CC(=O)[C@H](C)CC[C@@]1(C(=O)O)C=C2C=C[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000034622987 JK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000034628576 JK Annotated Anodyne COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(F)(F)C(=O)O)c2)n1 ZINC000034631554 JK Annotated Anodyne CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)c(CN2CCS(=O)(=O)CC2)s1 ZINC000034631629 JK Annotated Anodyne C[C@H]1CC[C@@H]2OC(C)(C)[C@@H](O)CC=C2[C@@]1(C)CC[C@@H]1[C@@](C)(O)CC[C@@H]2OC(C)(C)C(=O)CC[C@]21C ZINC000034632035 JK Annotated Anodyne CCN(CC)CCCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 ZINC000034632116 JK Annotated Mild COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c2c3cc(OC)c(O)cc3ccn12 ZINC000034637127 JK Annotated Anodyne OCCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nn3cc(C(F)(F)F)ccc23)n1 ZINC000034637734 JK Annotated Anodyne C/C(=C\C=C/[C@@H](C)[C@]1(C)CC=C2[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C)C(=O)O ZINC000034643382 JK Annotated Anodyne CC(C)=CCC(=O)[C@@]1(C)CCC/C(=C/CC/C=C2/CCC[C@@](C)(C(=O)CC=C(C)C)[C@H]2O)[C@H]1O ZINC000034652770 JK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2C[C@@H]3CCCCN3[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000034652978 JK Annotated Anodyne CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000034656210 JK Annotated Mild C=C(C)[C@H]1CC[C@H]([C@@H]2[C@@H](O)C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000034656341 JK Annotated Mild C=C(C)[C@H](O)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000034656429 JK Annotated Mild Cc1cc(=O)c(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)nn1-c1c(Cl)cccc1Cl ZINC000034656849 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccccc3F)nc2c1 ZINC000034687622 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CCCCl)nc2c1 ZINC000034688687 JK Annotated Reactive CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)CS[C@@H]2c2cccc(F)c2)cc1 ZINC000034705106 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)CS[C@@H]2c2cccc(F)c2)cc1 ZINC000034705107 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2[C@H](c3cccc(F)c3)SC[C@H]2C(=O)NCc2ccccn2)cc1 ZINC000034705108 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)CS[C@H]2c2cccc(F)c2)cc1 ZINC000034705109 JK Annotated Anodyne O=C(C[C@H]1S/C(=N\CCc2ccccc2)N(/N=C\c2cccs2)C1=O)Nc1ccc(Cl)cc1 ZINC000034707014 JK Annotated Mild CCc1ccc(O[C@@H](C)CCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1 ZINC000034717705 JK Annotated Anodyne CCc1ccc(O[C@H](C)CCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1 ZINC000034717706 JK Annotated Anodyne O=S(=O)(/N=C(\O)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000034717715 JK Annotated Mild CCOC(=O)CCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000034721096 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000034741167 JK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000034741178 JK Annotated Anodyne COc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(C)cc3)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000034745394 JK Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccc(C)cc3)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000034745396 JK Annotated Anodyne COc1ccc(C(=O)N2[C@H](c3ccc(C(C)(C)C)cc3)SC[C@H]2C(=O)Nc2ccc(C)cc2)cc1 ZINC000034745398 JK Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccc(C)cc3)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000034745400 JK Annotated Anodyne O=C(O)c1cc(NC(=O)N(c2ccccc2)c2ccccc2)c2c(Cl)cc(Cl)cc2n1 ZINC000034753176 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@@](O)(C(C)(C)O)O3)CC[C@]21C ZINC000034754472 JK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000034759967 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000034759971 JK Annotated Mild CC(C)=CCC[C@@H](C(=O)O)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000034759975 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc(F)cc3)nc2c1 ZINC000034763953 JK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(C)cc12 ZINC000034774050 JK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(C)cc12 ZINC000034774052 JK Annotated Anodyne CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)O)cn3)c(C)c2)cc1C)CC ZINC000034777626 JK Annotated Anodyne Cc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 ZINC000034781466 JK Annotated Anodyne Cc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 ZINC000034781467 JK Annotated Anodyne CC(C)N1CC[C@H](N2CCn3c(c(C4CCCCC4)c4sc(C(=O)O)cc43)-c3ccccc3C2)C1 ZINC000034785540 JK Annotated Anodyne CC(C)N1CC[C@@H](N2CCn3c(c(C4CCCCC4)c4sc(C(=O)O)cc43)-c3ccccc3C2)C1 ZINC000034785984 JK Annotated Anodyne C[C@@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000034801494 JK Annotated Anodyne C[C@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000034801495 JK Annotated Anodyne C[C@@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801496 JK Annotated Bother C[C@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801497 JK Annotated Bother CC(C)(C)c1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 ZINC000034801524 JK Annotated Bother CC(C)(C)c1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 ZINC000034801525 JK Annotated Bother C[C@@](O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801526 JK Annotated Bother C[C@](O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801527 JK Annotated Bother C[C@@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801534 JK Annotated Bother C[C@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801535 JK Annotated Bother CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000034801593 JK Annotated Mild CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 ZINC000034801595 JK Annotated Mild CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000034801596 JK Annotated Mild CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 ZINC000034801598 JK Annotated Mild CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000034801601 JK Annotated Mild CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802418 JK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802419 JK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CSc2ccccc2)=N1 ZINC000034802420 JK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CSc2ccccc2)=N1 ZINC000034802421 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802426 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802427 JK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@@](=O)c2ccccc2)=N1 ZINC000034802438 JK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@@](=O)c2ccccc2)=N1 ZINC000034802439 JK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@](=O)c2ccccc2)=N1 ZINC000034802440 JK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(C[S@](=O)c2ccccc2)=N1 ZINC000034802441 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802442 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802443 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802444 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802445 JK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCC#N)C(CSc2ccccc2)=N1 ZINC000034802454 JK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCC#N)C(CSc2ccccc2)=N1 ZINC000034802455 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@H]1c1cccc(Cl)c1Cl ZINC000034802456 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl ZINC000034802457 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccn2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802460 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccn2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802461 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccn2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802462 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccn2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802463 JK Annotated Reactive C=CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802480 JK Annotated Reactive C=CCO/C(O)=C1\C(CSc2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802481 JK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1cccc(Cl)c1Cl ZINC000034802486 JK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl ZINC000034802487 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802488 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802489 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802490 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(OC)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802491 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802492 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802493 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802494 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802495 JK Annotated Reactive C[C@@H](Nc1ncc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cc1Cl)C(=O)O ZINC000034803098 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)C1 ZINC000034803572 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCC1=NN(c2ccc(Cl)cc2Cl)C(=O)C1 ZINC000034803577 JK Annotated Mild O=C(Oc1ccccc1-c1nc2ccccn2c1NC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000034806577 JK Annotated Bother Cn1nnnc1-c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12 ZINC000034820029 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)c(C3CCCCC3)c(=O)n2n1 ZINC000034820298 JK Annotated Anodyne COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(C(C)(C)C)cc3)c2cc1OC ZINC000034841099 JK Annotated Anodyne COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(Cl)c(Cl)c3)c2cc1OC ZINC000034841101 JK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(CC3(c4cc(F)ccc4Cl)CCC3)C(F)(F)F)cc12 ZINC000034850363 JK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC3(c4cc(F)ccc4Cl)CCC3)C(F)(F)F)cc12 ZINC000034850364 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(/C(O)=N/C(C)(C)CC(C)(C)C)c3n2)cc1OC ZINC000034855376 JK Annotated Mild CCOc1ccc(C/N=C(\O)c2cc(-c3ccc(Br)s3)nc3ccccc23)cc1OC ZINC000034858203 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2ccc3c(c2)OCO3)[C@H]1c1cn(C)c2ccccc12 ZINC000034858340 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2ccc3c(c2)OCO3)[C@@H]1c1cn(C)c2ccccc12 ZINC000034858341 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/c2ccc3c(c2)OCO3)[C@H]1c1cn(C)c2ccccc12 ZINC000034858342 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/c2ccc3c(c2)OCO3)[C@@H]1c1cn(C)c2ccccc12 ZINC000034858343 JK Annotated Mild N#CCSc1nc2cc(/C(O)=N/Cc3cccc(Cl)c3)ccc2c(=O)n1-c1ccccc1 ZINC000034860863 JK Annotated Anodyne CCOc1ccc(-n2cc(/C(O)=N/c3cnc4ccccc4c3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000034860896 JK Annotated Mild CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OCC ZINC000034863391 JK Annotated Anodyne O=S(=O)(c1ccc(Br)s1)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000034875245 JK Annotated Anodyne CCOc1ccc(Cc2nc3cc(NC(=N)c4ccco4)ccc3n2CCN(CC)CC)cc1 ZINC000034875294 JK Annotated Anodyne COC(=O)CCC[C@@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000034875315 JK Annotated Anodyne CCOc1ccc(Cc2nc3cc(/N=C(\N)c4ccsc4)ccc3n2CCN(CC)CC)cc1 ZINC000034875357 JK Annotated Mild O=S(=O)(Nc1ccc2c(c1)CNCCC2)c1csc(C(F)(F)F)c1-c1ccccc1 ZINC000034884630 JK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2cccc(Cl)c2)nc2ccccn12 ZINC000034890188 JK Annotated Anodyne CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2cc(NC(C)=O)c(C(=O)O)cc2C4)cc1 ZINC000034893206 JK Annotated Anodyne FC(F)(F)Cc1nc2ccccc2n1-c1ncccc1CC(c1cccnc1)c1cccnc1 ZINC000034951279 JK Annotated Anodyne in-vivo CCNC(=O)[C@@H](c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 ZINC000034951354 JK Annotated Anodyne CCNC(=O)[C@H](c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 ZINC000034951356 JK Annotated Anodyne CCCCCCN1C(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC=C[C@@H]1C(C)C ZINC000034960815 JK Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@H](CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000034961435 JK Annotated Anodyne CCCCCCC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000034961577 JK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(Cc3ccc(N(C)C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961608 JK Annotated Clean COc1ccc([C@H]2/C=C/CN(C(=O)OCc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961653 JK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961699 JK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961702 JK Annotated Anodyne Cc1nnc(-c2cc(F)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c(F)c2)o1 ZINC000034984358 JK Annotated Anodyne NC(=O)C(CCC1(N2CC(Oc3cccc(O)c3)C2)CCCC1)(c1ccccc1)c1ccccc1 ZINC000034984676 JK Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)cc(Cl)c2)C1 ZINC000034984802 JK Annotated Anodyne CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C ZINC000034986704 JK Annotated Anodyne CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C ZINC000034986705 JK Annotated Anodyne CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C ZINC000034986706 JK Annotated Anodyne CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C ZINC000034986707 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)=O)sc3c2)nn1)C(F)(F)F ZINC000034986859 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)=O)sc3c2)nn1)C(F)(F)F ZINC000034986860 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c([C@@H](C)O)sc3c2)nn1)C(F)(F)F ZINC000034986861 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c([C@@H](C)O)sc3c2)nn1)C(F)(F)F ZINC000034986862 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c([C@H](C)O)sc3c2)nn1)C(F)(F)F ZINC000034986863 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c([C@H](C)O)sc3c2)nn1)C(F)(F)F ZINC000034986864 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)(C)O)sc3c2)nn1)C(F)(F)F ZINC000034986979 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)(C)O)sc3c2)nn1)C(F)(F)F ZINC000034986980 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)N(C)C)sc3c2)nn1)C(F)(F)F ZINC000034986983 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)N(C)C)sc3c2)nn1)C(F)(F)F ZINC000034986984 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)OC)sc3c2)nn1)C(F)(F)F ZINC000034986985 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)OC)sc3c2)nn1)C(F)(F)F ZINC000034986986 JK Annotated Anodyne CCN1c2ncc(CSc3nc4ccccc4o3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000003611237 JK Annotated Anodyne Cc1ccc(N2C(=O)C(=O)[C@@H](C(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000003620822 JK Annotated Anodyne N#Cc1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)O)cc1 ZINC000003625551 JK Annotated Mild N#Cc1ccccc1CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)O ZINC000003625553 JK Annotated Mild COc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000003629392 JK Annotated Anodyne O/C(=N\Cc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000003629750 JK Annotated Anodyne Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCc4ccccc4Cl)cc32)c1 ZINC000003638688 JK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3ccc(CNCCCn4ccnc4)cc3)c2cc1Cl ZINC000003639566 JK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3ccc(CBr)cc3)c2cc1Cl ZINC000003639582 JK Annotated Reactive COc1ccc(C/N=C(\O)c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)CS3)cc1 ZINC000003645342 JK Annotated Anodyne COc1cccc(CN2C[C@H](Cc3ccccc3)NC(=O)c3sc4ccc(OC)cc4c32)c1 ZINC000003647030 JK Annotated Anodyne COc1cccc(CN2C[C@@H](Cc3ccccc3)NC(=O)c3sc4ccc(OC)cc4c32)c1 ZINC000003647033 JK Annotated Anodyne O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000003648423 JK Annotated Bother OC1=Nc2ccc(Br)cc2[C@](O)(/C(O)=N/Cc2cccs2)N1c1ccc(Cl)cc1 ZINC000003670524 JK Annotated Anodyne OC1=Nc2ccc(Br)cc2[C@@](O)(/C(O)=N/Cc2cccs2)N1c1ccc(Cl)cc1 ZINC000003670525 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000003683026 JK Annotated Anodyne O=C(O)c1cccc(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003742016 JK Annotated Clean CCCO[C@H]1[C@H](O)[C@@H](OCC)O[C@H]1[C@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 ZINC000003775147 JK Annotated Anodyne CC(C)=CCC/C(C)=C/Cn1c2cc3c(-c4ccccc4)c(=O)oc3cc2nc2c(C(=O)O)cccc21 ZINC000003784421 JK Annotated Bother CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003786351 JK Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccc(Cl)cc2)=NN1 ZINC000003786526 JK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)[nH]c3ccccc23)cc1 ZINC000003787711 JK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)n(C)c3ccccc23)cc1 ZINC000003787715 JK Annotated Anodyne Cc1cc(-c2c(F)c(Sc3ccccc3)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000003790255 JK Annotated Anodyne CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 ZINC000003792296 JK Annotated Clean CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(CC(=O)O)cc1)c1ccc(C)cc1 ZINC000003794420 JK Annotated Anodyne CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCN=[N+]=[N-])C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000003795231 JK Annotated Mild Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000003801195 JK Annotated Anodyne CCN(CC)CC#CCCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1 ZINC000003802093 JK Annotated Mild CCCN(CC#CCCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1)CCC ZINC000003802103 JK Annotated Mild Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3nc4cc(F)ccc4s3)c2)cc1 ZINC000003802549 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]23CC[C@@]1(C)C3 ZINC000003802790 JK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1CCC[C@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000003805594 JK Annotated Anodyne COc1ccc2c(c1NC(=O)c1ccc(OCCCCCCOCC(C)C)cc1)OCCC2=O ZINC000003809486 JK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)(C)C)cn3ccccc23)cc1 ZINC000003809859 JK Annotated Anodyne COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003809877 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccc(C)cc3)[nH]2)c1 ZINC000003809880 JK Annotated Anodyne COc1ccc(S(=O)(=O)C(C)C)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003809882 JK Annotated Anodyne CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000003810668 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)O)c2)c1 ZINC000003812590 JK Annotated Anodyne Cc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c12 ZINC000003816189 JK Annotated Anodyne COc1ccc(-n2c3cssc-3c(NC(=O)c3ccc(C(F)(F)F)cc3)c2=O)c(OC)c1 ZINC000003817904 JK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4cncs4)c(-c4ccccc4)c3)cc2)cc1 ZINC000003819849 JK Annotated Anodyne C[C@H](N)C(=O)N1CCCC[C@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000003823280 JK Annotated Anodyne O=P(O)(O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cccc2ccccc12 ZINC000003825144 JK Annotated Anodyne COc1cc(OC)c2c(c1)[C@H](CCCCCCCCC[C@@H](CCC(C)=O)OC(C)=O)OC2=O ZINC000003825935 JK Annotated Anodyne O=C(O)c1cc(Cl)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12 ZINC000003828414 JK Annotated Anodyne O=c1ccc2c([nH]1)CCC[C@@H]2NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000003870445 JK Annotated Anodyne in-vivo C#C[C@@H](O)/C=C/CCCCCCCCCCC#CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000003874651 JK Annotated Mild C/C(=C\C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C)c1ccc(C)c(=O)o1 ZINC000003875000 JK Annotated Mild O[C@]12CCCCCC[C@@H]3CCN4CCC[C@H](CCCCCC[C@@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875304 JK Annotated Anodyne O[C@]12CCCCCC[C@@H]3CCN4CCC[C@H](CCCCCC[C@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875305 JK Annotated Anodyne c1ccc(Cn2c(/N=N\c3c(Nc4ccccc4)ccc4ccccc34)nc3ccccc32)cc1 ZINC000003876656 JK Annotated Clean CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000003914275 JK Annotated Anodyne C/C=C/[C@]1(C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1 ZINC000003915377 JK Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000003916974 JK Annotated Mild CCCCCC(=O)c1c(OC)c(Cl)c2oc3c(Cl)c(OC)c(Cl)c(O)c3c2c1O ZINC000003920916 JK Annotated Anodyne O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1ccc(C(F)(F)F)cc1)n1ccnc1 ZINC000003922273 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000003924696 JK Annotated Mild CC/C=C/[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1 ZINC000003925405 JK Annotated Anodyne c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1 ZINC000003927991 JK Annotated Anodyne COc1cccc(Oc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)c1 ZINC000003927992 JK Annotated Anodyne Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cc5c(F)cccc5s4)C[C@@H]3C)cccc2[nH]1 ZINC000003928678 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000003929002 JK Annotated Anodyne in-vivo CN(C(=O)C1C(c2ccccc2)=C1c1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000003929212 JK Annotated Anodyne Cn1cnnc1[C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000003930995 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/C/N=C(\S)NCCc1ccccc1)CO ZINC000003931569 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000003933368 JK Annotated Mild in-vivo Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003936031 JK Annotated Mild Nc1c(C(=O)c2ccccc2)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000003938515 JK Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H](c2ccccc2Cl)c2ccccc21 ZINC000003940276 JK Annotated Bother COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000003940449 JK Annotated Anodyne Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CC3)cc1 ZINC000003940966 JK Annotated Bother O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CCC1 ZINC000003948047 JK Annotated Mild N#CN/C(=N\Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000003950932 JK Annotated Mild O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000003955597 JK Annotated Anodyne CC(C)CN1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000003955719 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955831 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 ZINC000003955924 JK Annotated Anodyne Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003955991 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(c3ccncc3)C2)CC1 ZINC000003956091 JK Annotated Anodyne N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)C2)cc1 ZINC000003956145 JK Annotated Mild O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000003956327 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 ZINC000003956397 JK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(c3)OCO4)cc2)C(=O)C(C)C)c1 ZINC000003959559 JK Annotated Anodyne C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=S)n2Cc1cccc(OCCO)c1 ZINC000003961465 JK Annotated Mild OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(OCCN(CCCl)CCCl)c1 ZINC000003961859 JK Annotated Reactive Cc1nc2cc([C@H](CC(=O)O)Cc3csc(CCCc4ccc5c(n4)NCCC5)n3)ccc2s1 ZINC000003962013 JK Annotated Anodyne COc1ccc([C@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cc1F ZINC000003962015 JK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(C2CC2)s1 ZINC000003962017 JK Annotated Anodyne CC(C)N1CCC(CNC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000003962189 JK Annotated Anodyne C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000003963658 JK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000003965094 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000003965234 JK Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000003965235 JK Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000003965262 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000003965275 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000003965290 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000003965293 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)O/N=C\[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000003965407 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/O[C@@H](C)c1cc(-c3c(C)cc(C)cc3C)no1)C2 ZINC000003965441 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C)C2 ZINC000003965442 JK Annotated Mild CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCCC(=O)O)c(Cl)c1Cl ZINC000003965937 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2C(=O)O)c(Cl)c1Cl ZINC000003965938 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H](CO)C3)ncn2)cc1C(F)(F)F ZINC000003965942 JK Annotated Anodyne CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)C1 ZINC000003965943 JK Annotated Anodyne COc1ccccc1Sc1ccc(-c2ccnc(N3CC[C@@H](NC(C)=O)C3)c2)cc1C(F)(F)F ZINC000003965945 JK Annotated Anodyne O=C1O[C@H]2c3ccccc3[C@@H](O)[C@]23O[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]13 ZINC000003974105 JK Annotated Anodyne O=C1O[C@H]2c3ccccc3[C@H](O)[C@]23O[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]13 ZINC000003974106 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000003974907 JK Annotated Clean Cc1nn(-c2cccc(C(F)(F)F)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000003976419 JK Annotated Clean CCOc1nn(-c2ccc(C)c(C)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000003976422 JK Annotated Clean Cc1nn(-c2ccc(C(F)(F)F)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000003976423 JK Annotated Clean C[C@H]1CC[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)N1C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000003976926 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000003978293 JK Annotated Mild in-vitro CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000003978294 JK Annotated Mild in-vitro CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C ZINC000003978295 JK Annotated Mild in-vitro CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C ZINC000003978296 JK Annotated Mild in-vitro CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@@H](C)CCC=C(C)C)[C@]1(C)CC3 ZINC000003978366 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@@H](C)CCC=C(C)C)[C@]1(C)CC3 ZINC000003978367 JK Annotated Anodyne in-vitro CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000003978487 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000003978488 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000003978608 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000003978609 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000003978610 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000003978611 JK Annotated Anodyne in-vitro CSCC[C@H](NC(=O)c1ccc(CN(C)CCC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000003982103 JK Annotated Anodyne Cc1c(O)c(O)cc2c1CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@@H]4[C@]3(C)CC[C@]12C ZINC000003984006 JK Annotated Clean in-vitro COc1oc([C@H]2C[C@]3(CO2)[C@H]2C(C)=CC(C)=C[C@@]2(C)[C@H]3c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C ZINC000003985915 JK Annotated Bother in-vitro COc1oc([C@@H]2C[C@]3(CO2)[C@H]2C(C)=CC(C)=C[C@@]2(C)[C@H]3c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C ZINC000003985916 JK Annotated Bother in-vitro CCC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000003986258 JK Annotated Anodyne C[C@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@@H](C)N1C ZINC000003988233 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]45O[C@]4(CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000003989815 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@@](C)(C=O)[C@@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000003989816 JK Annotated Mild C[C@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 ZINC000003992151 JK Annotated Anodyne O=C(Nc1nccs1)/C(=C/C1CCCCC1)c1ccc(-n2nnnc2C(F)(F)F)c(Cl)c1 ZINC000003992435 JK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)/C(C)=C/CC1 ZINC000003993491 JK Annotated Anodyne CC(C)(C)N/C(=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000003998466 JK Annotated Mild C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21 ZINC000035000765 JK Annotated Reactive Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C(C)C)cc2Br)cc1 ZINC000035002824 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2C2CC2)cc1 ZINC000035002835 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2C(C)C)cc1 ZINC000035002837 JK Annotated Anodyne CSCc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1 ZINC000035002848 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2C(F)(F)F)cc1 ZINC000035002854 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)c3ccccc23)c(Cl)c1 ZINC000035002866 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2c(C)cc(C)c3ccccc23)c(Cl)c1 ZINC000035002872 JK Annotated Anodyne CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2Cl)c2ccccc12 ZINC000035002878 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cc(C)c(C)c3ccccc23)c(Cl)c1 ZINC000035002882 JK Annotated Anodyne Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1cccc2ccccc12 ZINC000035002888 JK Annotated Anodyne Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1ccc(Cl)c2ccccc12 ZINC000035002891 JK Annotated Anodyne Cc1ccc2ccccc2c1-n1c(C)nnc1SCC(=O)Nc1ccccc1Br ZINC000035002898 JK Annotated Anodyne CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12 ZINC000035002901 JK Annotated Anodyne Cc1cc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc2c1C ZINC000035002904 JK Annotated Anodyne Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1ccc(N(C)C)c2ccccc12 ZINC000035002908 JK Annotated Anodyne Cc1ccc2c(C)ccc(-n3c(C)nnc3SCC(=O)Nc3ccccc3Br)c2c1 ZINC000035002911 JK Annotated Anodyne Cc1ccc2c(C)cccc2c1-n1c(C)nnc1SCC(=O)Nc1ccccc1Br ZINC000035002914 JK Annotated Anodyne Cc1ccc2cccc(C)c2c1-n1c(C)nnc1SCC(=O)Nc1ccccc1Br ZINC000035002917 JK Annotated Anodyne Cc1ccc2c(-n3c(C)nnc3SCC(=O)Nc3ccccc3Br)ccc(C)c2c1 ZINC000035002920 JK Annotated Anodyne Cc1cc2c(C)ccc(-n3c(C)nnc3SCC(=O)Nc3ccccc3Br)c2cc1C ZINC000035002923 JK Annotated Anodyne Cc1cc2cccc(C)c2c(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c1C ZINC000035002926 JK Annotated Anodyne Cc1cc2c(C)cccc2c(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c1C ZINC000035002929 JK Annotated Anodyne COc1ccc2c(Cc3ccc(C(C)(C)C)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014885 JK Annotated Anodyne COc1ccc2c(Cc3ccc(C(C)C)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014887 JK Annotated Anodyne COc1ccc2c(Cc3ccc(C(F)(F)F)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014889 JK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000035028847 JK Annotated Anodyne C=C1CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@@H]1C ZINC000035032666 JK Annotated Mild in-vitro c1ccc2/c(=N\CCCCCCCC/N=c3\c4ccccc4nc4n3CCC4)n3c(nc2c1)CCC3 ZINC000035033573 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000035034260 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000035034266 JK Annotated Anodyne C/C(=C\CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000035034312 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000035034314 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000035048721 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000035048722 JK Annotated Anodyne O=S(=O)(C[n+]1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000035052071 JK Annotated Anodyne CC(C)(C)c1ccc(CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2CCc2c[nH]cn2)cc1 ZINC000035064358 JK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2CCc2c[nH]cn2)cc1 ZINC000035064361 JK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(OCCNC(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1 ZINC000035064419 JK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@@]1(OCCNC(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1 ZINC000035064422 JK Annotated Anodyne CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000035064616 JK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]3(C)[C@H]12 ZINC000035070481 JK Annotated Anodyne CN(c1ccccc1)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000035074572 JK Annotated Bother N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2[nH]1 ZINC000035074794 JK Annotated Reactive CCOc1ccc(Cc2nc3cc(/N=C(\N)c4cccs4)ccc3n2CCN(CC)CC)cc1 ZINC000035076022 JK Annotated Mild C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O ZINC000035077266 JK Annotated Reactive C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O ZINC000035077267 JK Annotated Reactive CC1=C(CCC2=C(C)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]23C)[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC1 ZINC000035086287 JK Annotated Anodyne CC1=C(CC[C@@]23CCC(=O)C(C)(C)C2=C(O)C(=O)C(C)=C3C)[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC1 ZINC000035086289 JK Annotated Mild CC1=C(CC[C@]23CCC(=O)C(C)(C)C2=C(O)C(=O)C(C)=C3C)[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC1 ZINC000035086291 JK Annotated Mild CC(C)C(=O)CC[C@@]1(C)[C@@H]2CC[C@H](C)[C@@]1(CC[C@@]1(C)C3=CC[C@@H](O)C(C)(C)O[C@@H]3CC[C@H]1C)O2 ZINC000035086293 JK Annotated Anodyne C=C1CC[C@@H]2OC(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(O)[C@@H](C)CC[C@@H]2OC(C)(C)C(=O)CC[C@]21C ZINC000035086295 JK Annotated Mild CC1=C(CCC2=C(C)C(=O)C(O)=C3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC1 ZINC000035086296 JK Annotated Mild C[C@H]1CC[C@@H]2OC(C)(C)[C@@H](O)CC=C2[C@@]1(C)CC[C@]1(C)[C@@H](C)CC[C@@H]2OC(C)(C)[C@@]3(O)CC[C@]21O3 ZINC000035086297 JK Annotated Anodyne O=C(O)c1c(O)c(Cc2cn(C(=O)Cc3ccccc3)c3ccccc23)nc2c3c(ccc12)CCCC3 ZINC000035087075 JK Annotated Anodyne CC(C)OC(=O)n1cc(Cc2nc3c4c(ccc3c(C(=O)O)c2O)CCCC4)c2ccccc21 ZINC000035087076 JK Annotated Anodyne O=C(Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3)c1cccs1 ZINC000035087082 JK Annotated Anodyne O=C(Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3)c1ccccc1 ZINC000035087083 JK Annotated Anodyne O=C(O)c1c(OC(=O)C2CCCCC2)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3 ZINC000035087085 JK Annotated Anodyne CC(C)COC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3 ZINC000035087088 JK Annotated Anodyne O=C(Nc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3)c1ccccc1 ZINC000035087092 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)C(C)C)c2ncccc2c1 ZINC000035095841 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)C(C)C)c2ncccc2c1 ZINC000035095844 JK Annotated Anodyne CCCCC(=O)N(CCC[C@@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccccc1OC ZINC000035095896 JK Annotated Anodyne CCCCC(=O)N(CCC[C@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccccc1OC ZINC000035095899 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(F)cc2)C(=O)C(C)(C)CCl)c2ncccc2c1 ZINC000035097428 JK Annotated Reactive COc1cc(N[C@H](C)CCCN(Cc2ccc(F)cc2)C(=O)C(C)(C)CCl)c2ncccc2c1 ZINC000035097430 JK Annotated Reactive COc1cc(N[C@@H](C)CCCN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c2ncccc2c1 ZINC000035097445 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c2ncccc2c1 ZINC000035097448 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccccc3C)nc2c1 ZINC000035108224 JK Annotated Anodyne CCOC(=O)CCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000035178576 JK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccccc2Cl)nc2ccccn12 ZINC000035191001 JK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccn12 ZINC000035191003 JK Annotated Bother COc1cccc(C(=O)Oc2ccccc2-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000035191014 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3cccc(F)c3)nc2c1 ZINC000035191159 JK Annotated Anodyne COc1ccc(C(=O)N2[C@H](C(=O)NCCC(C)C)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192438 JK Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(=O)NCCC(C)C)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192439 JK Annotated Anodyne COc1ccc(C(=O)N2[C@H](c3ccc(C(C)(C)C)cc3)SC[C@H]2C(=O)NCCC(C)C)cc1 ZINC000035192440 JK Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(=O)NCCC(C)C)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192441 JK Annotated Anodyne COc1ccc(C(=O)N2[C@H](C(=O)Nc3ccccc3F)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192446 JK Annotated Anodyne COc1ccc(C(=O)N2[C@H](c3ccc(C(C)(C)C)cc3)SC[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000035192447 JK Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192448 JK Annotated Anodyne COc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192449 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035229256 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035229259 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)[C@@H](C)Cl ZINC000035245271 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)[C@@H](C)Cl ZINC000035245273 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)[C@H](C)Cl ZINC000035245274 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)[C@H](C)Cl ZINC000035245276 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)[C@@H](C)Cl ZINC000035246476 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)[C@@H](C)Cl ZINC000035246478 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)[C@H](C)Cl ZINC000035246481 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)[C@H](C)Cl ZINC000035246483 JK Annotated Reactive COc1ccc(I)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 ZINC000035259188 JK Annotated Anodyne CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035259322 JK Annotated Anodyne CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035259323 JK Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(C3(O)CCC(=O)CC3)cn(C)c2=O)CC[C@H]1C ZINC000035259354 JK Annotated Anodyne CC(C)Cc1cc(Cl)cc(-c2c(CCO)c(=O)n(C)c3ccc(C(F)(F)F)cc23)c1O ZINC000035259911 JK Annotated Anodyne CC(=O)c1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C(=O)c2ccccc2C1=O ZINC000035270623 JK Annotated Anodyne COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2 ZINC000035276071 JK Annotated Anodyne in-vitro O=C(O)Cc1ccc(-c2ccccc2NC(=O)c2cccc(-c3ccc(O)c(O)c3O)c2)s1 ZINC000035276395 JK Annotated Clean O=C(O)Cc1ccc(-c2ccccc2NC(=O)c2cccc(-c3cc(O)c(O)c(O)c3)c2)s1 ZINC000035276400 JK Annotated Clean O=C(O)Cc1ccc(-c2ccccc2NC(=O)c2ccccc2-c2cc(O)c(O)c(O)c2)s1 ZINC000035276405 JK Annotated Clean CC(C)=CCc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc1O ZINC000035276602 JK Annotated Anodyne in-vitro COc1cccc([C@H]2C[C@@H](N[C@H](C)c3ccccc3)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035308517 JK Annotated Anodyne CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000035324833 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000035494028 JK Annotated Mild C=CCSC1=N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H](c2ccccc2Cl)[C@@H]1C#N ZINC000035546319 JK Annotated Mild CC(C)=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O ZINC000035802001 JK Annotated Mild C=C1CC[C@@H]2[C@@](C)(COC(=O)/C=C/c3ccc(O)cc3)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CC(=O)O ZINC000035802036 JK Annotated Mild in-vitro biogenic CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 ZINC000035802129 JK Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000035802365 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1CC[C@@H]2C(=CC[C@@H]3O[C@H](C(C)(C)O)CC[C@]32C)C1(C)C ZINC000035802546 JK Annotated Mild Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 ZINC000035820750 JK Annotated Clean C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(C)(C)O ZINC000035821269 JK Annotated Mild in-vitro COC(=O)c1cc(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000035821448 JK Annotated Anodyne N#Cc1cccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(F)c(F)cc4[nH]3)cc2)c1 ZINC000035821468 JK Annotated Mild O=C1c2cccc(N3CCNCC3)c2Oc2ccc(F)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000035834069 JK Annotated Anodyne COC(=O)c1c(-c2cccs2)c(-c2cccs2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000035834428 JK Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000035850435 JK Annotated Mild CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000035850686 JK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(COC(=O)/C=C/c3ccc(O)c(O)c3)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CC(=O)O ZINC000035850717 JK Annotated Mild in-vitro biogenic S=C(N/N=C(\c1ccccc1)c1ccc(Br)cc1)Nc1ncc(C2CCC2)o1 ZINC000035862310 JK Annotated Mild COc1cc2c(cc1OC)Sc1ncnc(N(C)c3cccc(Br)c3)c1NC2 ZINC000035862476 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cccc6nccnc56)CC4)cccc3[nH]2)cc1 ZINC000035872662 JK Annotated Anodyne COC(=O)c1c(-c2cccs2)c(-c2cccs2)c2c3cc(OC)c(OC(C)C)cc3ccn12 ZINC000035872705 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/Cn1c[n+](C)c2ncnc(NOC(C)(C)C)c21 ZINC000035873413 JK Annotated Mild C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)[C@@H](C)C(=O)O ZINC000035873505 JK Annotated Mild Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(O)=Nc4c(Cl)cccc43)[C@]23C(O)=Nc2ccccc23)cc1 ZINC000035876867 JK Annotated Anodyne O=C1c2ccccc2[C@@](O[C@@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000035880579 JK Annotated Bother O=C1c2ccccc2[C@](O[C@@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000035880580 JK Annotated Bother O=C1c2ccccc2[C@@](O[C@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000035880581 JK Annotated Bother O=C1c2ccccc2[C@](O[C@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000035880582 JK Annotated Bother OC(c1ccc(F)cc1)(c1ccc(F)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 ZINC000035881741 JK Annotated Bother O=C(c1ccccc1Cl)[C@@H]1[C@@H]2CCCN2[C@@]2(C(O)=Nc3ccccc32)[C@]12C(O)=Nc1ccccc12 ZINC000035895240 JK Annotated Anodyne C[C@H](CC[C@H]1O[C@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902960 JK Annotated Anodyne in-vitro C[C@H](CC[C@@H]1O[C@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902961 JK Annotated Anodyne in-vitro C[C@H](CC[C@H]1O[C@@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902962 JK Annotated Anodyne in-vitro C[C@H](CC[C@@H]1O[C@@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902963 JK Annotated Anodyne in-vitro C=CC(C)(C)n1cc(C[C@@H]2CC[C@@H]3C(=CC[C@@H]4O[C@H](C(C)(C)O)CC[C@]43C)C2(C)C)c2ccccc21 ZINC000035903625 JK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000035913043 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000035913044 JK Annotated Anodyne C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccc(C#N)cc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000035921352 JK Annotated Mild in-man C=C1C([C@@H](C)[C@H]2CC=C(C)C(=O)O2)=CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@@]3(O)C[C@@H]12)C=CC(=O)OC4(C)C ZINC000035922123 JK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 ZINC000035922600 JK Annotated Anodyne O=C(/C=C/c1nc(CCc2ccccc2)c(CCCO)s1)CSCCCc1ccccc1 ZINC000035935333 JK Annotated Mild COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 ZINC000035936394 JK Annotated Bother FC(F)(F)c1cc(-c2ccncc2)c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 ZINC000035936473 JK Annotated Anodyne CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 ZINC000035952731 JK Annotated Anodyne CC(/C=C/C=C(\C)c1ccc(C)c(=O)o1)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000035985138 JK Annotated Mild COc1cc(-c2c3ccc(cc4ccc(cc5ccc(cc6ccc2[nH]6)n5)[nH]4)n3)cc(OC)c1OC ZINC000035985340 JK Annotated Bother CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000035985532 JK Annotated Reactive C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000035999090 JK Annotated Mild in-vitro biogenic C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 ZINC000036079954 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000036089211 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000036089214 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000036089220 JK Annotated Mild O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1cc2ccccc2s1 ZINC000036124822 JK Annotated Anodyne O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1cc2ccccc2s1 ZINC000036124825 JK Annotated Anodyne C[C@@H](O[C@H]1CCc2nccn2C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036126683 JK Annotated Mild C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CC(=O)N1 ZINC000036126684 JK Annotated Mild C[C@@H](O[C@H]1CCn2ccnc2C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036126685 JK Annotated Mild C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CNC1=O ZINC000036126686 JK Annotated Mild C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CN(C)C1=O ZINC000036126687 JK Annotated Mild OC[C@H]1CCCN(CCC[C@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000036126806 JK Annotated Anodyne OC[C@H]1CCCN(CCC[C@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000036126807 JK Annotated Anodyne OC[C@H]1CCCN(CCC[C@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000036126808 JK Annotated Anodyne CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2s1 ZINC000036126966 JK Annotated Mild CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2o1 ZINC000036126971 JK Annotated Mild CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000036140249 JK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000036140252 JK Annotated Anodyne COc1ccc(CCN(C)[C@H]2CCC[C@H]([C@](C#N)(c3ccc(OC)c(OC)c3)C(C)C)C2)cc1OC ZINC000036151665 JK Annotated Mild Cc1cccc(Nc2cccc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)n2)c1C ZINC000036159668 JK Annotated Anodyne Cc1cccc(Nc2cc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)nn2C)c1C ZINC000036159673 JK Annotated Anodyne COC(=O)C[C@H](c1cccc(-c2c(C)noc2C)c1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000036159794 JK Annotated Anodyne COC(=O)C[C@@H](c1cccc(-c2c(C)noc2C)c1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000036159798 JK Annotated Anodyne COC(=O)C[C@H](c1cccc(-c2c(C)noc2C)c1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000036159800 JK Annotated Anodyne COC(=O)C[C@@H](c1cccc(-c2c(C)noc2C)c1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000036159806 JK Annotated Anodyne COC(=O)/C=C/C[C@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175660 JK Annotated Anodyne COC(=O)CCC[C@@]1(C)CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175672 JK Annotated Anodyne COC(=O)CCC[C@]1(C)CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175681 JK Annotated Anodyne COC(=O)/C=C/C[C@@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175685 JK Annotated Anodyne COC(=O)CCC[C@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175695 JK Annotated Anodyne FC(F)(F)c1ccc2c(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)[nH]nc2c1 ZINC000036176918 JK Annotated Anodyne O=C(C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000036177764 JK Annotated Mild CCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O ZINC000036179124 JK Annotated Mild CN(C)CCCOc1ccc(-c2c(C#N)c3cccc(Cl)n3c2NCCc2ccccc2)cc1 ZINC000036185173 JK Annotated Mild CCN(CC)CCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 ZINC000036188439 JK Annotated Mild CCCc1c(O)c(CCCOc2ccc(C3N=NN=N3)cc2)cc2c1C[C@H](CCc1ccccc1)O2 ZINC000036189750 JK Annotated Anodyne CCCCCCCC[C@H](O)c1ccc2ccc(C[S@@](=O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189768 JK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(C[S@@](=O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189770 JK Annotated Mild CCCCCCCC[C@H](O)c1ccc2ccc(C[S@](=O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189771 JK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(C[S@](=O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189772 JK Annotated Mild CC(C)(Cc1ccc(F)cc1C#N)[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242604 JK Annotated Mild CC(C)(Cc1ccc(F)cc1C#N)[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242606 JK Annotated Mild CC(C)(Cc1ccc(F)cc1C#N)[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242608 JK Annotated Mild CC(C)(Cc1ccc(F)cc1C#N)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242612 JK Annotated Mild O=C(O)Cc1ccc(-c2ccccc2NC(=O)Cc2cccc(-c3ccc(O)c(O)c3O)c2)s1 ZINC000036242761 JK Annotated Clean O=C1c2cc(CCc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1 ZINC000036270599 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1 ZINC000036284516 JK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1 ZINC000036284520 JK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12 ZINC000036284610 JK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12 ZINC000036284614 JK Annotated Mild COc1cc2cc(C(=O)C[C@@H](O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000036286842 JK Annotated Bother COc1cc2cc(C(=O)C[C@H](O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000036286845 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC ZINC000036286887 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC ZINC000036286891 JK Annotated Bother COc1cc2cc(C(=O)C[C@H]3CCCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000036286909 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CCCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000036286914 JK Annotated Bother COc1cc2cc(C(=O)C[C@@H]3CC[C@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000036286921 JK Annotated Bother COc1cc2cc(C(=O)C[C@H]3CC[C@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000036286925 JK Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000036286928 JK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC ZINC000036286931 JK Annotated Bother C1=C[N+]2=C([C@@H]1c1cccc3ccccc13)[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000036294119 JK Annotated Anodyne C1=C[N+]2=C([C@H]3c4ccccc4[C@@H]2CC3(c2ccoc2)c2ccoc2)[C@H]1c1cccc2ccccc12 ZINC000036294122 JK Annotated Anodyne CCCCCCCCOc1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000036294301 JK Annotated Mild CCCCCCCCOc1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000036294304 JK Annotated Mild O=S(=O)(F)CCNc1ccccc1Oc1cccc(-c2c(O)nc3cc(Cl)ccc3c2O)c1 ZINC000036294541 JK Annotated Unstable COC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Br)cc1CC2 ZINC000036311186 JK Annotated Anodyne O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1[C@H]2CC[C@H](C2)[C@H]1Cc1ccccc1 ZINC000036311265 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nc[nH]n3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000036323703 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@H]3C[C@H](NCc4ccnc5ccccc45)C[C@@H]2[C@H](c2ccccc2)C3)c1 ZINC000036323827 JK Annotated Anodyne Cc1cc(C)cc(C(=O)N2[C@@H]3C[C@@H](c4ccccc4)[C@H]2C[C@H](NCc2ccnc4ccccc24)C3)c1 ZINC000036323831 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000036324253 JK Annotated Anodyne CN(CC(N)=O)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324280 JK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCOCC3)[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000036324293 JK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C(C#N)=C/c2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000036330368 JK Annotated Reactive CSCC[C@H](NC(=O)c1ccc(/C(C#N)=C\c2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000036330369 JK Annotated Reactive CSCc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@]2(C)c2cccc3ccccc23)cc1 ZINC000036330413 JK Annotated Anodyne CSCc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@@]2(C)c2cccc3ccccc23)cc1 ZINC000036330414 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000036330861 JK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000036330865 JK Annotated Anodyne CCCCCCCCCCCCn1nnnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000036331267 JK Annotated Mild CCCCCCCCCCCCn1nnnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000036331269 JK Annotated Mild CCCCCCCCCCCCn1nnc([C@H](NC(=O)c2ccnc(SC)c2)c2ccccc2)n1 ZINC000036331286 JK Annotated Mild CCCCCCCCCCCCn1nnc([C@@H](NC(=O)c2ccnc(SC)c2)c2ccccc2)n1 ZINC000036331288 JK Annotated Mild CCCCCCCCCCCCn1nnc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000036331326 JK Annotated Mild CCCCCCCCCCCCn1nnc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000036331329 JK Annotated Mild CCCCCCCCCCCCn1nnc([C@H](NC(=O)c2c(C)cccc2C)c2ccccc2)n1 ZINC000036331364 JK Annotated Mild CCCCCCCCCCCCn1nnc([C@@H](NC(=O)c2c(C)cccc2C)c2ccccc2)n1 ZINC000036331366 JK Annotated Mild CCCCCCCC[C@@H](SCCCCCC)C(=O)Nc1c(SC)cc[n+](C)c1SC ZINC000036331383 JK Annotated Mild CCCCCCCC[C@H](SCCCCCC)C(=O)Nc1c(SC)cc[n+](C)c1SC ZINC000036331385 JK Annotated Mild CCCn1c2ccc(NC(=O)Nc3ccc(C)cc3)cc2c2c3c(c4c(c21)CC(C=N)=CC4)C(=O)NC3 ZINC000036338901 JK Annotated Anodyne C#CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350280 JK Annotated Mild C#CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000036350281 JK Annotated Mild C#CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350282 JK Annotated Mild CC#C[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350301 JK Annotated Mild CC#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350302 JK Annotated Mild CC#C[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000036350303 JK Annotated Mild CC#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000036350304 JK Annotated Mild O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OCc2ccccc2)ccc1-3 ZINC000036350478 JK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375545 JK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375690 JK Annotated Mild COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000036375746 JK Annotated Mild COc1cc(OC)c2ccc(=O)oc2c1[C@@H](CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000036378312 JK Annotated Anodyne O=C(NCc1ccccc1)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379100 JK Annotated Anodyne O=C(NCc1ccccc1)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379101 JK Annotated Anodyne O=C(CCc1ccccc1)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379110 JK Annotated Anodyne O=C(CCc1ccccc1)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379111 JK Annotated Anodyne CCOC(=O)CCC(=O)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379112 JK Annotated Anodyne CCOC(=O)CCC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379113 JK Annotated Anodyne CCOC(=O)CCCC(=O)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379114 JK Annotated Anodyne CCOC(=O)CCCC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379115 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccco2)=N[C@H]1c1ccc(Br)cc1 ZINC000036379153 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=N[C@H]1c1cccc(F)c1 ZINC000036379166 JK Annotated Anodyne CCCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2 ZINC000036379173 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)Oc2cc(C)n(-c3ccccc3)c(=O)c21 ZINC000036379174 JK Annotated Anodyne COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000036379181 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000036379182 JK Annotated Anodyne COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 ZINC000036379195 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000036379196 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)Oc2cc(-c3ccccc3)oc(=O)c21 ZINC000036379197 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3ccccc3[C@@H]2O1 ZINC000036379218 JK Annotated Mild COc1ccc([C@]23Cc4ccccc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000036379224 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3cc(C#N)ccc3[C@@H]2O1 ZINC000036379240 JK Annotated Mild Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000036379248 JK Annotated Mild COc1ccc([C@]23Cc4c(ccc5ccccc45)[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000036379251 JK Annotated Anodyne O=C1CCCC2=C1[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000036379254 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)O/N=C/[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000036379266 JK Annotated Mild COC(=O)[C@@H]1CCc2sc(NC(=O)Cc3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c21 ZINC000036380256 JK Annotated Anodyne CC(=O)N/C(=C/c1ccccc1)c1sc2ccccc2[n+]1CCCCI ZINC000036381208 JK Annotated Reactive O=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036381375 JK Annotated Anodyne O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(OC(F)(F)F)cc1 ZINC000036381510 JK Annotated Mild O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(C(F)(F)F)cc1 ZINC000036381511 JK Annotated Mild COC(=O)C1=C[C@H]([C@@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2[C@H]1c1ccccc1N2C ZINC000036381597 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036381694 JK Annotated Anodyne CCN1C(N(C)CCc2c[nH]c3ccccc23)=N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C ZINC000036381695 JK Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000036381751 JK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)c2cc3ccccc3nc2-c2nc3ccccc3cc2[C@@H]1C(=O)N1CCCC1 ZINC000036381819 JK Annotated Anodyne C[C@@H]1C=CCCO[C@]12C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000036381890 JK Annotated Anodyne C[C@@H]1C=CCCO[C@]12C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000036381896 JK Annotated Anodyne CC1=C[C@H]2c3ccccc3C[C@H]2CO[C@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000036381907 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)C(c1ccccc1)(c1ccccc1)C[C@H]2NC(=O)C(F)(F)F ZINC000036381920 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(c3ccccc3)CCCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000036381928 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(c3ccccc3)CCCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000036381929 JK Annotated Anodyne COc1cc([C@@H](NC(=O)C(F)(F)F)[C@@H]2CCCCC=C2c2ccccc2)cc(OC)c1OC ZINC000036381930 JK Annotated Anodyne COc1cc([C@H](CC2=C(c3ccccc3)Cc3ccccc32)NC(=O)C(F)(F)F)cc(OC)c1OC ZINC000036381931 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)CC(c1ccccc1)=C(c1ccccc1)C[C@H]2NC(=O)C(F)(F)F ZINC000036381932 JK Annotated Anodyne O=C1N(CC2CC2)c2cccc(Br)c2[C@@]12O[C@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000036381934 JK Annotated Anodyne CC1=C[C@@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000036381935 JK Annotated Anodyne CC(C)=CCN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000036381956 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000036381962 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 ZINC000036381965 JK Annotated Anodyne CC1=C[C@@H](COCc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000036381966 JK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(O[C@H](C)CC4=CCC[C@@H]43)c3c(Br)cccc32)cc1 ZINC000036381971 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(CC(C)=CC[C@@H](C)O2)c2c(Br)cccc21 ZINC000036381981 JK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000036381985 JK Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc1S2(=O)=O ZINC000036382282 JK Annotated Anodyne CCCCCCSc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC ZINC000036382319 JK Annotated Anodyne COc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1SC1CCCCC1 ZINC000036382323 JK Annotated Anodyne CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382324 JK Annotated Anodyne COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1SC1CCCCC1 ZINC000036382331 JK Annotated Anodyne CCCCCCSc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1OC ZINC000036382333 JK Annotated Anodyne CCCCCCSc1cccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)c1 ZINC000036382340 JK Annotated Anodyne CCCCCCSc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OC ZINC000036382341 JK Annotated Anodyne COc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1-c1ccc(C(C)=O)cc1 ZINC000036382345 JK Annotated Anodyne CC(=O)c1csc(-c2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)c1 ZINC000036382346 JK Annotated Anodyne COc1ccc(CSc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2OC)cc1 ZINC000036382352 JK Annotated Anodyne COc1ccc([C@@H]2c3c(nc(CCc4ccccc4)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC ZINC000036382507 JK Annotated Anodyne COc1ccc([C@@H]2c3c(nc(Cc4ccccc4)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC ZINC000036382510 JK Annotated Anodyne COc1ccc([C@@H]2c3c(n(Cc4ccccc4)cnc3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000036382511 JK Annotated Anodyne COc1ccc([C@H]2c3c(n(CCc4ccccc4)cnc3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000036382512 JK Annotated Anodyne COc1ccc([C@@H]2c3c(N)nc(Cc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000036382581 JK Annotated Anodyne CCCCC(CCCC)c1ccc(/C=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1 ZINC000036382702 JK Annotated Mild C[n+]1c(/C=C/c2ccnc3ccccc23)cc(/C=C/c2ccnc3ccccc23)c2ccccc21 ZINC000036382714 JK Annotated Anodyne CCCCN(CCCC)c1ccc(/C=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1C ZINC000036382779 JK Annotated Mild CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000036382894 JK Annotated Anodyne CC(=O)Nc1ccc(S[C@@H](CCN2CC[C@H](C(C)(C)C)CCC2=O)c2ccccc2)cc1 ZINC000036382895 JK Annotated Anodyne C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(OC(C)=O)cc2)C1(C#N)C#N ZINC000036382921 JK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1(C#N)C#N ZINC000036382932 JK Annotated Mild CC(C)(C)[C@H]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000036382959 JK Annotated Anodyne CC(C)(C)CC(C)(C)/N=C1\Nc2ccc(Cl)cc2N[C@]12C[C@@H]1CCN3C(=O)CC[C@H](C2)[C@H]13 ZINC000036383030 JK Annotated Mild CC(C)(C)[C@@H]1CCC(=O)N(CC[C@H](Sc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000036383035 JK Annotated Anodyne C=C[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C=C)CC(C)C ZINC000036383037 JK Annotated Mild C=C[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C=C)CC(C)C ZINC000036383048 JK Annotated Mild CC(C)(C)CC(C)(C)N=C1Nc2ccc([N+](=O)[O-])cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383067 JK Annotated Mild Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CCC[C@H](C1)[C@H]34)C(=NC(C)(C)CC(C)(C)C)N2 ZINC000036383068 JK Annotated Mild COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)Nc4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1OC ZINC000036383077 JK Annotated Anodyne CC(C)(C)CC(C)(C)N=C1Nc2ccc(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383093 JK Annotated Mild O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc(Cl)c(Cl)cc1NC3=NCc1ccccc1 ZINC000036383116 JK Annotated Mild Cc1cc2c(cc1C)N[C@]1(C[C@@H]3CCN4C(=O)CC[C@H](C1)[C@H]34)/C(=N/C(C)(C)CC(C)(C)C)N2 ZINC000036383150 JK Annotated Mild COc1ccc([C@@H]2c3c(N)nc(CCc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000036383186 JK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000036383225 JK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000036384113 JK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000036384233 JK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036384243 JK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036384274 JK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000036384279 JK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036384308 JK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036384337 JK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384340 JK Annotated Anodyne COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000036384355 JK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000036384357 JK Annotated Anodyne CC1=C(O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000036385203 JK Annotated Mild C[C@@]12C(=O)Nc3ccccc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387255 JK Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(Cl)ccc3C(=O)N12 ZINC000036387257 JK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387295 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccccc2)cc1 ZINC000036387298 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@@H]2c2ccccc2)cc1 ZINC000036387302 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387309 JK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387310 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccccc2F)cc1 ZINC000036387313 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2ccccc2F)cc1 ZINC000036387315 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@@H]2c2ccccc2F)cc1 ZINC000036387316 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)O)[C@@H]2c2ccccc2F)cc1 ZINC000036387317 JK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387318 JK Annotated Anodyne COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387319 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387326 JK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387330 JK Annotated Anodyne COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387331 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387333 JK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387334 JK Annotated Anodyne CCOc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387335 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387337 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387340 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387341 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387342 JK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387344 JK Annotated Anodyne COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387345 JK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000036387346 JK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387349 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387354 JK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387358 JK Annotated Anodyne COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387359 JK Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(Cl)ccc3C(=O)N12 ZINC000036387361 JK Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036387364 JK Annotated Anodyne Cc1cc(C(C)(C)C)c(OC(=O)[C@@H]2OC(c3ccccc3)=C[C@H]2c2ccccc2)c(C(C)(C)C)c1 ZINC000036387670 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036387941 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036387943 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4Cc1ccc(OC)cc1 ZINC000036387946 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4Cc1ccc(OC)cc1 ZINC000036387948 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC(=O)N4Cc1ccc(OC)cc1 ZINC000036387950 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036387951 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N(Cc4ccc(OC)cc4)[C@@](C)(CC[C@@H]21)C3 ZINC000036387952 JK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@H](c1ccc3ccccc3c1/C=C/c1ccccc1)N(Cc1ccccc1)C2=O ZINC000036388020 JK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036388024 JK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036388026 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388205 JK Annotated Anodyne COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388207 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000036388214 JK Annotated Anodyne COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000036388216 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000036388246 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036388300 JK Annotated Anodyne Cc1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036388304 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036388325 JK Annotated Anodyne CC(=O)c1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1 ZINC000036388329 JK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000036388376 JK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000036388380 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000036388394 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000036388396 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388420 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388425 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000036388437 JK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000036388439 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccccc1 ZINC000036388449 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036388452 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036388466 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000036388470 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036388472 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036388479 JK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036388480 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)OCc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388483 JK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388493 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388495 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)CC(C)(C)C)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388506 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)CC(C)(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388510 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388520 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388524 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)C3CCCCC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388526 JK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)C3CCCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388529 JK Annotated Anodyne COc1ccc([C@@H]2C=CCN(CC3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388550 JK Annotated Anodyne COc1ccc([C@H]2C=CCN(CC3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388554 JK Annotated Anodyne CCCCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000036388568 JK Annotated Anodyne COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(OC)nc4)ccc3n2C)c1 ZINC000036388638 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4cnc(OC)nc4)ccc3n2C)c1 ZINC000036388639 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5c(c4)OCO5)ccc3n2C)cc1 ZINC000036388640 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4cccc5[nH]ccc45)ccc3n2C)cc1 ZINC000036388641 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(OC)nc4)ccc3n2C)cc1 ZINC000036388642 JK Annotated Mild COCc1ccc(-c2ccc3c(c2)c(C#Cc2ccsc2)c(-c2cc(OC)cc(OC)c2)n3C)cc1 ZINC000036388643 JK Annotated Mild COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(Br)cc23)cc1 ZINC000036388644 JK Annotated Anodyne COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4ccc5[nH]ccc5c4)cc23)cc(OC)c1 ZINC000036388646 JK Annotated Mild COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4ccc(OC)nc4)cc23)cc(OC)c1 ZINC000036388647 JK Annotated Mild COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1 ZINC000036388651 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cccc5[nH]ccc45)cc23)cc1 ZINC000036388652 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc(OC)nc4)cc23)cc1 ZINC000036388653 JK Annotated Anodyne COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5[nH]ccc5c4)cc23)c1 ZINC000036388654 JK Annotated Anodyne COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cccc5[nH]ccc45)cc23)c1 ZINC000036388655 JK Annotated Anodyne COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc(OC)nc4)cc23)c1 ZINC000036388656 JK Annotated Anodyne COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cnc(OC)nc4)cc23)c1 ZINC000036388657 JK Annotated Anodyne CCOC(=O)c1ccc(-c2c(-c3ccccc3OC)sc3cc4c(cc23)OCO4)cc1F ZINC000036388683 JK Annotated Anodyne CCOC(=O)c1ccc(-c2c(-c3ccc(OC)cc3)oc(=O)c3cc(OC)c(OC)cc23)cc1F ZINC000036388724 JK Annotated Anodyne COCc1ccc(-c2c(-c3cc(OC)cc(OC)c3)oc(=O)c3cc(OC)c(OC)cc23)cc1 ZINC000036388725 JK Annotated Anodyne COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000036388794 JK Annotated Bother COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc5cc[nH]c5c4)ccc3n2C)c1 ZINC000036388813 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4cccc5[nH]ccc45)ccc3n2C)c1 ZINC000036388814 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4cnc(OC)nc4)ccc3n2C)c1 ZINC000036388815 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc5[nH]ccc5c4)ccc3n2C)c1 ZINC000036388816 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cccc5[nH]ccc45)ccc3n2C)c1 ZINC000036388817 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5[nH]ccc5c4)ccc3n2C)c1 ZINC000036388818 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5c(c4)OCCO5)ccc3n2C)c1 ZINC000036388819 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5cc[nH]c5c4)ccc3n2C)c1 ZINC000036388821 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)nc4)ccc3n2C)c1 ZINC000036388822 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)c(OC)c4)ccc3n2C)c1 ZINC000036388823 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(SC)cc4)ccc3n2C)c1 ZINC000036388824 JK Annotated Anodyne COc1cc(F)cc(-c2ccc3c(c2)c(-c2cccs2)c(-c2cc(OC)cc(OC)c2)n3C)c1 ZINC000036388825 JK Annotated Anodyne COc1ccc(-c2ccc3c(c2)c(-c2cccs2)c(-c2cc(OC)cc(OC)c2)n3C)cc1 ZINC000036388826 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cnc(OC)nc4)ccc3n2C)c1 ZINC000036388827 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)cc4F)ccc3n2C)c1 ZINC000036388828 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc(OC)cc4F)cc23)cc1 ZINC000036388829 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc(SC)cc4)cc23)cc1 ZINC000036388830 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cc(F)cc(OC)c4)cc23)cc1 ZINC000036388832 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(N(C)C)nc4)ccc3n2C)c1 ZINC000036388833 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)c(F)c4)ccc3n2C)c1 ZINC000036388838 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5c(c4)OCO5)ccc3n2C)c1 ZINC000036388839 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc(N(C)C)nc4)cc23)cc1 ZINC000036388841 JK Annotated Anodyne COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(Br)ccc3n2C)c1 ZINC000036388943 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(OC)c(F)c4)ccc3n2C)cc1 ZINC000036388945 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5cc[nH]c5c4)ccc3n2C)c1 ZINC000036388946 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5[nH]ccc5c4)ccc3n2C)c1 ZINC000036388947 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(C(N)=O)cc4)ccc3n2C)c1 ZINC000036388949 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4cccc5[nH]ccc45)ccc3n2C)c1 ZINC000036388950 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5[nH]ccc5c4)ccc3n2C)cc1 ZINC000036388951 JK Annotated Mild Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccc(Cl)cc3)CC(=O)N12 ZINC000036389061 JK Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H]4c5cc(Cl)ccc5OC[C@@H]4[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000036389062 JK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000036389392 JK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000036389401 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C)CCC/C(C)=C/Cc1cc(O)ccc1O ZINC000036403835 JK Annotated Anodyne CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@H]2[C@H]1[C@@H](CC[C@@H]3C)C1(C)C ZINC000036404019 JK Annotated Anodyne C[C@@H](CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000036410960 JK Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccnn1-c1ccccc1 ZINC000036411126 JK Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccnn1-c1ccccc1 ZINC000036411127 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C)C(=O)O ZINC000036411141 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)C=O)CC3=CC(=O)[C@@H]12 ZINC000036411169 JK Annotated Mild O=C(Cc1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000036411234 JK Annotated Reactive CC(C)=CC[C@H]1C[C@]2(C(=O)C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000036411445 JK Annotated Mild in-vitro biogenic CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@@](C)(Cl)CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C ZINC000036412356 JK Annotated Anodyne CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@@](C)(Cl)CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C ZINC000036412360 JK Annotated Anodyne CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c(C)c1C#N ZINC000036412653 JK Annotated Mild CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000036412731 JK Annotated Mild C/C=C(\C)c1cc(OC)c(C)c2c1C(=O)Oc1c(C)c(O)c(Br)c(/C(C)=C/C)c1O2 ZINC000036413315 JK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc(O)ccc3[C@@H]3[C@H]2c2cc(O)cc(O)c2[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000036418964 JK Annotated Anodyne in-vitro biogenic COc1ccc(/C=C/C(=O)O[C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)N3CCCC[C@@H]3C2)cc1OC ZINC000036419076 JK Annotated Anodyne C[C@@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000036435711 JK Annotated Anodyne C[C@@H]1C[C@H]2[C@]3(C)CC=C4c5cc(O)c(O)c(C=O)c5C=C[C@@]4(C)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000036445474 JK Annotated Clean COC(=O)[C@@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@H](C(=O)C(C)C)C1=O ZINC000036445726 JK Annotated Anodyne in-man COC(=O)[C@@]1(CC=C(C)C)C[C@@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@H](C(=O)C(C)C)C1=O ZINC000036445727 JK Annotated Anodyne in-vitro biogenic Clc1ccc([C@@H](COCc2ccc(OCc3ccccc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000036446019 JK Annotated Anodyne Clc1ccc([C@H](COCc2ccc(OCc3ccccc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000036446020 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C(=O)C([C@@H]3CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]3(C)CC=O)=C[C@@H]3O[C@@]32C1 ZINC000036446108 JK Annotated Mild Sc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000036446350 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000036446835 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000036446836 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000036446837 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000036446838 JK Annotated Mild O=C(O)n1cc(S(=O)(=O)c2c[nH]c3cc(Br)ccc23)c2ccc(Br)cc21 ZINC000036446866 JK Annotated Anodyne CCN1C=CC=C/C1=C\C=C1/SC(/C=C2\Sc3ccc4ccccc4c3N2CC)=[N+](CC)C1=O ZINC000036447437 JK Annotated Clean COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(OC)c3c2=O)O[C@H](C(C)(C)O)C4)cc1 ZINC000036454827 JK Annotated Anodyne COc1cccc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)c1 ZINC000036455161 JK Annotated Bother CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000036465359 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]34O[C@@H]3C[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]4CC[C@@H]12 ZINC000036465360 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=C(CC[C@@H]32)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)C1(C)C ZINC000036465362 JK Annotated Anodyne Cc1c(O)c(O)cc2c1[C@H]([C@H](C)O)C=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@]12C ZINC000036465751 JK Annotated Clean COc1ccc(/C=C/C(=O)O[C@H]2CC[C@H]3O[C@@H](c4ccc(-c5ccccc5)cc4)O[C@@H]23)cc1OC ZINC000036471040 JK Annotated Anodyne in-vitro biogenic O=C(O[C@H]1CC[C@H]2O[C@@H](c3ccc(-c4ccccc4)cc3)O[C@@H]12)c1ccc(Br)cc1 ZINC000036471041 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036473071 JK Annotated Mild Cc1ccc(C(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000036473799 JK Annotated Anodyne CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N\c1sc2cc(Cl)ccc2[n+]1C ZINC000036474566 JK Annotated Mild C=C(CC(=O)OC)C(=O)C[C@@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C\c2ccccc2)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000036474573 JK Annotated Mild C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 ZINC000036476083 JK Annotated Anodyne CCN(CC)CCSc1ccc(-c2cc(-c3ccc(SCCN(CC)CC)cc3)ncn2)cc1 ZINC000036476175 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000036479657 JK Annotated Anodyne CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1 ZINC000036486826 JK Annotated Anodyne investigational CCOC(=O)/C=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c1oc1ccc(Br)cc21 ZINC000036489432 JK Annotated Anodyne CCCCCCCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000036757770 JK Annotated Mild CCCCCCCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000036757771 JK Annotated Mild C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000036772595 JK Annotated Mild CC[C@H](C(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000037665553 JK Annotated Anodyne CC[C@@H](C(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000037665556 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CCc3ccccc3)nc2c1 ZINC000037666786 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000037666791 JK Annotated Anodyne COc1cccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000037666794 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000037666795 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)[C@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000037666796 JK Annotated Anodyne CCCC[C@@H](/C=N\NC(=O)N1CCc2ccccc21)NC(=O)OC1(Cc2ccccc2)CCCC1 ZINC000037858413 JK Annotated Reactive Cn1ccc(=Nc2ccc(Sc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000377400181 JK Annotated Reactive Cn1ccc(=Nc2ccc(Oc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000377406474 JK Annotated Reactive Cc1c2ccn(Cc3ccc(I)cc3)cc2c(C)c2c1nc1ccccc12 ZINC000377437668 JK Annotated Bother N=c1ccn(CCCCCCCCCCCCn2ccc(=N)c3ccccc32)c2ccccc12 ZINC000377529181 JK Annotated Anodyne C1=CN2CCCCCCN3C=CC(=NCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377529187 JK Annotated Anodyne C1=CN2Cc3ccc(cc3)CN3C=CC(=NCc4cccc(c4)CN=C1c1ccccc12)c1ccccc13 ZINC000377567242 JK Annotated Anodyne C1=CN2Cc3cccc(c3)CN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377746976 JK Annotated Anodyne C1=CN2CCCCCCN3C=CC(=NCc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377790267 JK Annotated Anodyne CCN(Cc1ccccc1)Cn1c(O)c(N=NC(N)=S)c2cc(C)c(Br)cc21 ZINC000377790569 JK Annotated Clean O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2cc(C(F)(F)F)ccc2n1O ZINC000377799769 JK Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377799852 JK Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000377799869 JK Annotated Anodyne CCCCCCCCCCCC(=O)N=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 ZINC000377803794 JK Annotated Mild COC(=O)CCCCC(=O)N=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 ZINC000377803797 JK Annotated Bother Cc1ccc2c(c1)c(=Nc1ccc(C(=O)Nc3ccc(N=c4ccn(C)cc4)cc3)cc1)ccn2C ZINC000377806021 JK Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCC4CCC(CC4)CN=C1c1ccccc12)c1ccccc13 ZINC000377807776 JK Annotated Anodyne C1=CN2Cc3cccc(c3)CN3C=CC(=NCc4cccc(c4)CN=C1c1ccccc12)c1ccccc13 ZINC000377809590 JK Annotated Anodyne COC(=O)c1ccc(Br)cc1-n1ccc2c3ccc(Br)cc3nc-2c1 ZINC000377811459 JK Annotated Anodyne Clc1ccc2nc3cn(CCOCCn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377811549 JK Annotated Anodyne C=CCOC(=O)C1=C(CCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C)NC2=N[C@@H](C)C[C@H]3CC[C@@H]1N23 ZINC000377813071 JK Annotated Reactive Clc1ccc2nc3cn(C/C=C\Cn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377813253 JK Annotated Anodyne Clc1ccc2nc3cn(CC#CCn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377813260 JK Annotated Mild Clc1ccc2nc3cn(CCCCCCn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377813277 JK Annotated Anodyne C1=CN2Cc3cccc(c3)CN3C=CC(=NCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377813702 JK Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377813703 JK Annotated Anodyne c1ccc2c3ccn(CCOCCOCCOCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377819869 JK Annotated Anodyne COc1ccc2nc3cn(CCCCCn4ccc5c6cc(OC)ccc6nc-5c4)ccc-3c2c1 ZINC000377819871 JK Annotated Anodyne c1ccc2c3ccn(CCCCCCCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377819872 JK Annotated Anodyne N=c1cc(-c2ccccc2)ccn1CCCc1ccc(CCCn2ccc(-c3ccccc3)cc2=N)cc1 ZINC000377819883 JK Annotated Anodyne COc1cccc2c(=Nc3ccc(C(=O)Nc4ccc(N=c5ccn(C)cc5)cc4)cc3)ccn(C)c12 ZINC000377819912 JK Annotated Anodyne CCN1/C(=C\C2=S=C(/C=C/C=Nc3ccccc3)C(=O)N2c2ccccc2)Sc2ccccc21 ZINC000377819915 JK Annotated Mild CCN1/C(=C\C2=S=C(/C=C\C=Nc3ccccc3)C(=O)N2c2ccccc2)Sc2ccccc21 ZINC000377819916 JK Annotated Mild CCN1/C(=C/C2=S=C(/C=C\C=Nc3ccccc3)C(=O)N2c2ccccc2)Sc2ccccc21 ZINC000377819917 JK Annotated Mild CCN1/C(=C/C2=S=C(/C=C/C=Nc3ccccc3)C(=O)N2c2ccccc2)Sc2ccccc21 ZINC000377819918 JK Annotated Mild c1ccc2c3ccn(CCCCCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377819941 JK Annotated Anodyne CCN1/C(=C/C2=S=C(C=Nc3ccccc3)C(=O)N2c2ccccc2)Sc2ccccc21 ZINC000377819963 JK Annotated Mild CCN1/C(=C\C2=S=C(C=Nc3ccccc3)C(=O)N2c2ccccc2)Sc2ccccc21 ZINC000377819964 JK Annotated Mild c1ccc2c3ccn(CCCCCCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377820933 JK Annotated Anodyne N=c1ccn(Cc2ccc(C#Cc3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000377825256 JK Annotated Mild Cn1ccc(=Nc2ccc(C(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000377829929 JK Annotated Reactive O=C1C(Cl)=CC(=[N+]([O-])O)C=C1[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000377829960 JK Annotated Mild CC(=O)N=C1C=CC(=C/C=C2/Sc3ccccc3N2CCCCI)C=C1 ZINC000377838561 JK Annotated Reactive CC(=O)N=C1C=CC(=C/C=C2\Sc3ccccc3N2CCCCI)C=C1 ZINC000377838562 JK Annotated Reactive COc1ccc2[nH]cc(CCN=c3c(OC)ccc4cc5n(cc3-4)CCc3cc4c(cc3-5)OCO4)c2c1 ZINC000377840125 JK Annotated Anodyne C[N+]1=C2B(C(C)(C)C)N(C(C)(C)C)[B@@-]2(C(C)(C)C)[N+](C)=C2B(C(C)(C)C)N(C(C)(C)C)[B@-]21C(C)(C)C ZINC000377840343 JK Annotated Anodyne C[N+]1=C2B(C(C)(C)C)N(C(C)(C)C)[B@-]2(C(C)(C)C)[N+](C)=C2B(C(C)(C)C)N(C(C)(C)C)[B@-]21C(C)(C)C ZINC000377840344 JK Annotated Anodyne C[N+]1=C2B(C(C)(C)C)N(C(C)(C)C)[B@-]2(C(C)(C)C)[N+](C)=C2B(C(C)(C)C)N(C(C)(C)C)[B@@-]21C(C)(C)C ZINC000377840345 JK Annotated Anodyne COc1ccc2cc3n(cc-2c1=NCCc1ccc(Cl)cc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000377841249 JK Annotated Anodyne Cc1cc(=NCCCCCCCCCCn2c(C)cc(=N)c3ccccc32)c2ccccc2[nH]1 ZINC000377841276 JK Annotated Anodyne COc1c2cccc1CN=C1C=CN(CCCCCN3C=CC(=NC2)c2ccccc23)c2ccccc21 ZINC000377845676 JK Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCc4cccc(c4)CN=C1c1ccccc12)c1ccccc13 ZINC000377845832 JK Annotated Anodyne CC1CCN=C2C=CN(CCC(C)CCN3C=CC(=NCC1)c1ccccc13)c1ccccc12 ZINC000377845837 JK Annotated Anodyne Oc1c2cccc1CN=C1C=CN(CCCCCN3C=CC(=NC2)c2ccccc23)c2ccccc21 ZINC000377845843 JK Annotated Clean Fc1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(F)cc13 ZINC000377846052 JK Annotated Anodyne Oc1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(O)cc13 ZINC000377846416 JK Annotated Anodyne Clc1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(Cl)cc13 ZINC000377846421 JK Annotated Anodyne C1=CN2Cc3cccc(c3)CN3C=CC(=NCC4CCC(CC4)CN=C1c1ccccc12)c1ccccc13 ZINC000377846426 JK Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCCC4(CCN=C1c1ccccc12)OCCO4)c1ccccc13 ZINC000377846428 JK Annotated Anodyne C1=CN2CCSCCN3C=CC(=NCCSCCN=C1c1ccccc12)c1ccccc13 ZINC000377846429 JK Annotated Anodyne Nc1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(N)cc13 ZINC000377848804 JK Annotated Anodyne CN1C=CC=CC1=C1C=CC(=NC(=O)c2ccc(C(=O)N=C3C=CC(=C4C=CC=CN4C)C=C3)cc2)C=C1 ZINC000377848830 JK Annotated Mild Cc1cccc2c(=Nc3ccc(C(=O)Nc4ccc(N=c5ccn(C)cc5)cc4)cc3)ccn(C)c12 ZINC000377848917 JK Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)Nc3ccc(N=c4ccn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377848927 JK Annotated Anodyne C/C(=C(/C)c1ccc(N=c2ccn(C)c3ccc(N)cc23)cc1)c1ccc(N=c2ccn(C)cc2)cc1 ZINC000377848930 JK Annotated Anodyne Cc1cn(C)c2ccccc2c1=Nc1ccc(C(=O)Nc2ccc(N=c3ccn(C)cc3)cc2)cc1 ZINC000377848931 JK Annotated Anodyne Cn1ccc(N=C2C=CC(=C(O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)C=C2)c2ccc(=N)cc1-2 ZINC000377848941 JK Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(C)c5c(Cl)cccc45)cc3)cc2)cc1 ZINC000377848943 JK Annotated Anodyne CCN1C=CC(=C2C=CC(=NC(=O)c3ccc(N=c4ccn(CC)c5ccccc45)cc3)C=C2)C=C1 ZINC000377848945 JK Annotated Mild Cn1ccc(=Nc2ccc(/C=C/c3ccc(N=c4ccn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377848952 JK Annotated Anodyne O=S(=O)(Cn1sc(=Nc2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000377853404 JK Annotated Anodyne Cc1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(C)cc13 ZINC000377853463 JK Annotated Anodyne C1=CN2Cc3ccc(cc3)CN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377853465 JK Annotated Anodyne COc1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(OC)cc13 ZINC000377853467 JK Annotated Anodyne Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(-c5nn[nH]n5)c4)c3O)c2=O)cc1C ZINC000377853492 JK Annotated Clean CCCCCCC[C@H]1OC(=O)CC[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C ZINC000038140038 JK Annotated Mild CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000038140060 JK Annotated Reactive CCCCCC/C=C/c1ccc(OC)c([C@@H]2[C@@H]3C=CC[C@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000038141590 JK Annotated Mild COC(=O)[C@H]1CCc2sc(NC(=O)Cc3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c21 ZINC000038141950 JK Annotated Anodyne N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccc2c(c1)OCCO2 ZINC000038142020 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1OC ZINC000038142022 JK Annotated Anodyne CCOc1ccc([C@@H]2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1OCC ZINC000038142023 JK Annotated Anodyne CCCCCCCc1cc2ccc(F)cc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)n12 ZINC000038142231 JK Annotated Mild COc1cc2c(c(OC)c1OC)C(c1ccccc1)(c1ccccc1)C[C@@H]2NC(=O)C(F)(F)F ZINC000038142328 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000038142334 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000038142335 JK Annotated Anodyne COc1cc([C@@H](NC(=O)C(F)(F)F)[C@H]2CCCCC=C2c2ccccc2)cc(OC)c1OC ZINC000038142336 JK Annotated Anodyne COc1cc([C@@H](CC2=C(c3ccccc3)Cc3ccccc32)NC(=O)C(F)(F)F)cc(OC)c1OC ZINC000038142337 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)CC(c1ccccc1)=C(c1ccccc1)C[C@@H]2NC(=O)C(F)(F)F ZINC000038142338 JK Annotated Anodyne O=C1N(CC2CC2)c2cccc(Br)c2[C@@]12O[C@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000038142340 JK Annotated Anodyne CC1=C[C@@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000038142341 JK Annotated Anodyne CC(C)=CCN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000038142351 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000038142356 JK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(O[C@H](C)CC4=CCC[C@H]43)c3c(Br)cccc32)cc1 ZINC000038142359 JK Annotated Anodyne O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@@]12O[C@H](COc1ccccc1)C[C@@H]1CCC[C@@H]12 ZINC000038142415 JK Annotated Anodyne COc1ccc([C@@H]2c3c(ncn(CCc4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000038142448 JK Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(=O)Nc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000038142837 JK Annotated Anodyne COc1ccc([C@H]2c3c(nc(CCc4ccccc4)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC ZINC000038142903 JK Annotated Anodyne COc1ccc([C@H]2c3c(nc(Cc4ccccc4)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC ZINC000038142906 JK Annotated Anodyne COc1ccc([C@H]2c3c(n(Cc4ccccc4)cnc3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000038142907 JK Annotated Anodyne COc1ccc([C@@H]2c3c(n(CCc4ccccc4)cnc3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000038142908 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccc(C#N)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142910 JK Annotated Mild COc1cccc([C@@H]2c3c(ncn(-c4ccc(C#N)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142911 JK Annotated Mild COc1cccc([C@@H]2c3c(ncn(-c4ccccc4C#N)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142914 JK Annotated Mild COc1cccc([C@@H]2c3c(ncn(-c4ccccc4C(C)(C)C)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142916 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccc(C(C)(C)C)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142917 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccc(NC(C)=O)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142918 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4OC)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142921 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccc(OC)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142922 JK Annotated Anodyne COc1ccc(-n2cnc3c(c2=N)[C@@H](c2cccc(OC)c2)c2c(ccc4ccccc24)O3)cc1 ZINC000038142923 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4Cl)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142924 JK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccc(Cl)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142925 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4SC)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142933 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccc5c(c4)OCO5)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142935 JK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(Cc4cccs4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142936 JK Annotated Anodyne COc1ccc([C@H]2c3c(N)nc(Cc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000038142937 JK Annotated Anodyne CC(C)(C)CC(C)(C)N=C1Nc2ccc(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CC[C@H](C2)[C@H]13 ZINC000038143047 JK Annotated Mild CCCCCCCCCCCCN1[C@@H](CC(=O)O)c2cc(C(F)(F)F)ccc2S1(=O)=O ZINC000038143048 JK Annotated Mild CCCCCCCCCCCCN1[C@@H](CC(=O)OC)c2cc(C(F)(F)F)ccc2S1(=O)=O ZINC000038143078 JK Annotated Mild Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CC[C@H](C1)[C@H]34)C(=NC(C)(C)CC(C)(C)C)N2 ZINC000038143079 JK Annotated Mild COc1ccc([C@H]2c3c(N)nc(CCc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000038143090 JK Annotated Anodyne CCOC(=O)c1ccccc1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000038143454 JK Annotated Anodyne CCOC(=O)c1cccc(-c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)c1 ZINC000038143455 JK Annotated Anodyne CCCCCCCCCCCCC1CCC(OCCO[P@@](=O)(O)OCC[N+](C)(C)C)CC1 ZINC000038144761 JK Annotated Mild O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1 ZINC000038146674 JK Annotated Mild O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 ZINC000038146676 JK Annotated Mild CCCC[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)=C(O)O1 ZINC000038146791 JK Annotated Mild CCCC[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)=C(O)O1 ZINC000038146792 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3csc(N)n3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146812 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccco3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146816 JK Annotated Mild Cc1nc(CC[C@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)cs1 ZINC000038146818 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3cscn3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146819 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cscn3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146820 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3cncs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146822 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N ZINC000038146834 JK Annotated Mild CCC[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)=C(O)O1 ZINC000038146851 JK Annotated Mild CCC[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)=C(O)O1 ZINC000038146853 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(CC(C)C)CC2=O)c(C(C)(C)C)cc1N ZINC000038146855 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(CC(C)C)CC2=O)c(C(C)(C)C)cc1N ZINC000038146857 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N(C)C ZINC000038146863 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N(C)C ZINC000038146866 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146877 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CC[C@@H]3CCCO3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038147253 JK Annotated Mild Cc1cc(SC2=C(O)O[C@](CC[C@@H]3CCCO3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038147254 JK Annotated Mild O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000038147557 JK Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000038147558 JK Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000038147559 JK Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000038147560 JK Annotated Anodyne O=C1NC[C@@H](c2ccc(C(F)(F)F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2 ZINC000038147575 JK Annotated Anodyne O=C1NC[C@H](c2ccc(C(F)(F)F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2 ZINC000038147576 JK Annotated Anodyne C[n+]1ccc(Nc2ccc(C(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000038148127 JK Annotated Reactive CC[C@@H]1C(=O)N(CCCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148517 JK Annotated Mild CC[C@H]1C(=O)N(CCCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148518 JK Annotated Mild N#C/N=C1\N(CCCCCOc2ccc(Cl)cc2)C(=O)[C@@H](c2ccccc2)N1c1ccncc1 ZINC000038148520 JK Annotated Mild N#C/N=C1\N(CCCCCOc2ccc(Cl)cc2)C(=O)[C@H](c2ccccc2)N1c1ccncc1 ZINC000038148521 JK Annotated Mild N#C/N=C1\N(CCCCCCOc2ccc(Cl)cc2)C(=O)[C@@H](c2ccccc2)N1c1ccncc1 ZINC000038148529 JK Annotated Mild N#C/N=C1\N(CCCCCCOc2ccc(Cl)cc2)C(=O)[C@H](c2ccccc2)N1c1ccncc1 ZINC000038148530 JK Annotated Mild CC(C)(C)c1c(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC2=O)oc2ccccc12 ZINC000038148944 JK Annotated Mild CC(C)(C)c1c(SC2=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC2=O)oc2ccccc12 ZINC000038148945 JK Annotated Mild CC(C)(C)c1oc2ccccc2c1SC1=C(O)O[C@@](CCc2ccccc2)(c2ccccc2)CC1=O ZINC000038148946 JK Annotated Mild CC(C)(C)c1oc2ccccc2c1SC1=C(O)O[C@](CCc2ccccc2)(c2ccccc2)CC1=O ZINC000038148947 JK Annotated Mild COc1cc2c(cc1OC)Sc1ncnc(Sc3cccc(Br)c3)c1NC2 ZINC000038149514 JK Annotated Anodyne CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000038149640 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@H](CN1CCCCC1)C2 ZINC000038149691 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@@H](CN1CCCCC1)C2 ZINC000038149692 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@H](CN1CCCC1)C2 ZINC000038149693 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@@H](CN1CCCC1)C2 ZINC000038149694 JK Annotated Anodyne CN(C)C[C@@H]1CCc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2C1 ZINC000038149695 JK Annotated Anodyne CN(C)C[C@H]1CCc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2C1 ZINC000038149696 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CCC(CN1CCCCC1)=C2 ZINC000038149697 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CCC(CN1CCCC1)=C2 ZINC000038149698 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)OC[C@@H](CN1CCCC1)O2 ZINC000038149704 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)OC[C@H](CN1CCCC1)O2 ZINC000038149705 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](CN1CCCC1)O2 ZINC000038149716 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](CN1CCCC1)O2 ZINC000038149717 JK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(Cn3ccnc3)ccc2c1 ZINC000038149736 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C[C@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000038151427 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000038151429 JK Annotated Mild CCCCCCCCCCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 ZINC000038152115 JK Annotated Mild CCN1C(=Cc2sc3ccc(I)cc3[n+]2CC)C=Cc2ccccc21 ZINC000038153185 JK Annotated Clean C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000038154284 JK Annotated Mild C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1 ZINC000038154286 JK Annotated Mild C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000038154288 JK Annotated Mild C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@@H]3C1 ZINC000038154290 JK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000038154327 JK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000038154328 JK Annotated Mild Cc1cc2nc(OCC/N=C(/S)Nc3ccc(Br)cn3)c3cccn3c2cc1C ZINC000038154603 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1c(C)c(CC(=O)O)n(CCC)c1C ZINC000038155585 JK Annotated Mild CCCCC[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)=C(O)O1 ZINC000038156469 JK Annotated Mild CCCCC[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)=C(O)O1 ZINC000038156470 JK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCCN(C)C)NC(=O)C(C)(C)C ZINC000038156698 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157406 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157407 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157408 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157409 JK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1OC[C@H](COCCCC[n+]2ccsc2)O1 ZINC000038157418 JK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1OC[C@H](COCCCC[n+]2ccsc2)O1 ZINC000038157419 JK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1OC[C@@H](COCCCC[n+]2ccsc2)O1 ZINC000038157420 JK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1OC[C@@H](COCCCC[n+]2ccsc2)O1 ZINC000038157421 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCCCC[N+]2(C)C=CN=C2)C1 ZINC000038157422 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCC[N+]2(C)C=CN=C2)C1 ZINC000038157423 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCCCC[N+]2(C)C=CN=C2)C1 ZINC000038157424 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC[N+]2(C)C=CN=C2)C1 ZINC000038157425 JK Annotated Mild CCCCCCCCCCCCCCOC[C@H]1CO[C@@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157474 JK Annotated Mild CCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157475 JK Annotated Mild CCCCCCCCCCCCCCOC[C@H]1CO[C@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157476 JK Annotated Mild CCCCCCCCCCCCCCOC[C@@H]1CO[C@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157477 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCCCCCC[n+]2ccsc2)C1 ZINC000038157486 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCCCC[n+]2ccsc2)C1 ZINC000038157487 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCCCCCC[n+]2ccsc2)C1 ZINC000038157488 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCCCC[n+]2ccsc2)C1 ZINC000038157489 JK Annotated Mild CCCCCCCCCCCCOC[C@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157494 JK Annotated Mild CCCCCCCCCCCCOC[C@@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157495 JK Annotated Mild CCCCCCCCCCCCOC[C@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157496 JK Annotated Mild CCCCCCCCCCCCOC[C@@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157497 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 ZINC000038157648 JK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 ZINC000038157651 JK Annotated Anodyne CC(C)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2cnc3ccccc3c2)n1C ZINC000038157786 JK Annotated Anodyne N#Cc1cccc(-c2ccc([C@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCNCC4)cc2)c1 ZINC000038157835 JK Annotated Mild N#Cc1cccc(-c2ccc([C@@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCNCC4)cc2)c1 ZINC000038157836 JK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCNCC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157849 JK Annotated Mild N#Cc1cccc(-c2ccc([C@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCNCC3)cc2)c1 ZINC000038157870 JK Annotated Mild N#Cc1cccc(-c2ccc([C@@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCNCC3)cc2)c1 ZINC000038157871 JK Annotated Mild CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 ZINC000038158736 JK Annotated Reactive CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(COCc2ccc(F)cc2)cc1 ZINC000038158737 JK Annotated Reactive O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN/C=C1\C=Nc2ccccc21 ZINC000038160603 JK Annotated Reactive C/C(=C(/C)c1ccc(Nc2cc[n+](C)c3ccc(N)cc23)cc1)c1ccc(Nc2cc[n+](C)cc2)cc1 ZINC000038174360 JK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN/C=C1\C=Nc2ccccc21 ZINC000038178403 JK Annotated Reactive CCCC[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000038179213 JK Annotated Anodyne CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179251 JK Annotated Anodyne CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179253 JK Annotated Anodyne CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179254 JK Annotated Anodyne CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000038179262 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@H](C)[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000038185056 JK Annotated Anodyne O/N=C1C(=C/c2ccc(Cl)c(Cl)c2)/CCC[C@H]/1[C@@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000038185703 JK Annotated Mild CCCO[C@H]1[C@H](O)[C@@H](OCC)O[C@H]1[C@@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 ZINC000038192498 JK Annotated Anodyne COc1cc2cc([C@@]3(C)CC[C@](C)(c4cc5cc(OC)c(OC)cc5o4)O3)oc2cc1OC ZINC000038210818 JK Annotated Anodyne in-vitro biogenic C/C(=C\C=C/[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]1(O)[C@H]2CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C(=O)O ZINC000038211267 JK Annotated Anodyne C/C(=C\CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]1(C)O)CC/C=C(\C)C(=O)O ZINC000038211331 JK Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC(F)(F)F)CC1 ZINC000038211618 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C ZINC000038217156 JK Annotated Anodyne C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2Cl)cc1)C(F)(F)F ZINC000038217307 JK Annotated Mild C[C@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2Cl)cc1)C(F)(F)F ZINC000038217308 JK Annotated Mild Cc1[nH]c(C)c(-c2ccc(OCc3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Br ZINC000038217388 JK Annotated Anodyne COC(=O)[C@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000038217742 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C=O)(C[C@H]5C(C)(C)[C@H](O)CC[C@@]54C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000038233298 JK Annotated Mild CCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000038240364 JK Annotated Anodyne COc1cc2cc([C@]3(C)CC[C@@](C)(c4cc5cc(OC)c(OC)cc5o4)O3)oc2cc1OC ZINC000038240373 JK Annotated Anodyne in-vitro biogenic CC(C)=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@H](O)CC[C@]21C ZINC000038240392 JK Annotated Mild C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)Cc6cccs6)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000038240783 JK Annotated Anodyne Brc1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000038240792 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@@H](C(=O)C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000038255715 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000038263921 JK Annotated Mild CO[C@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000038270201 JK Annotated Anodyne COc1c/c(=C2/N=CC=C2Cl)o/c1=C1\c2[nH]c3cc2[C@@H](C(C)C)[C@@H]1CCCCCCCC3 ZINC000038281197 JK Annotated Anodyne in-vitro C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000038281540 JK Annotated Mild Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000038281553 JK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(O)cc(O)cc4[C@@H]2[C@H]3c2ccc(O)cc2)cc1 ZINC000038290353 JK Annotated Anodyne C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000038290599 JK Annotated Mild CC(=O)O[C@H]1S[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000038300543 JK Annotated Anodyne CC(=O)O[C@@H]1S[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000038300544 JK Annotated Anodyne C[C@@H](N)[C@@H](O)C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCC[C@H](O)[C@@H](C)N ZINC000038306660 JK Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1 ZINC000038309952 JK Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1 ZINC000038309953 JK Annotated Anodyne COC(=O)/C(=C\CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O)CCC=C(C)C ZINC000038310059 JK Annotated Anodyne C=C(C)[C@@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC/C(=C/CC/C(=C/CO)CO)C(=O)O ZINC000038310417 JK Annotated Mild O=C(NC(=O)N(C(=O)OCc1ccccc1)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000038310534 JK Annotated Anodyne COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(Br)cc(OC)c21 ZINC000038310593 JK Annotated Anodyne COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC=C2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000038310652 JK Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1 ZINC000038310762 JK Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1 ZINC000038310763 JK Annotated Anodyne C=C1[C@@H]2C=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]2(C)CC[C@@H]1[C@H](C)CC/C=C(/C)C(=O)O ZINC000038320600 JK Annotated Mild in-vitro biogenic CC(C)(O)[C@@H](O)[C@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@@H](O)O1 ZINC000038321810 JK Annotated Anodyne C[C@H](COC=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000038335653 JK Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000038335985 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)c3ccc(C)c(CCC(=O)C(C)C)c3CC[C@]12C)C(C)C ZINC000038336242 JK Annotated Mild CC(C)(C)c1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc(I)cc32)c1 ZINC000038336248 JK Annotated Anodyne CC(C)(C)c1ccc(O)c([C@]2(c3ccccc3)C(=O)Nc3ccc(I)cc32)c1 ZINC000038336249 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000038336273 JK Annotated Mild CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000038347780 JK Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=C(Br)C(=O)/C1=C\C=C\CCCC(=O)OC ZINC000038360877 JK Annotated Mild CCCCO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/CC(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000038361724 JK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000038361933 JK Annotated Anodyne CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000038403452 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000038429742 JK Annotated Mild C[C@@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000038429746 JK Annotated Anodyne Cc1c(O)c(O)cc2c1C(=O)C(O)=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000038431806 JK Annotated Mild C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000038431995 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSCc3ccccc3)c(C)[nH]c(=O)c2I)c1 ZINC000038432168 JK Annotated Anodyne CCc1nn2c(-c3c(OC)cc(COC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1 ZINC000038432253 JK Annotated Anodyne CO[C@H]1C=C(CCC[C@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)O)C(=O)O1 ZINC000038432886 JK Annotated Anodyne CO[C@H]1C=C(CCC[C@@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)O)C(=O)O1 ZINC000038432887 JK Annotated Anodyne CO[C@@H]1C=C(CCC[C@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)O)C(=O)O1 ZINC000038432888 JK Annotated Anodyne CO[C@@H]1C=C(CCC[C@@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)O)C(=O)O1 ZINC000038432889 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O ZINC000038454580 JK Annotated Anodyne O=c1c(Br)c(OCc2ccc(F)c(F)c2)cnn1-c1c(Cl)cccc1Cl ZINC000038461159 JK Annotated Anodyne CCCCN(CCCC)CCOc1cc2c(cc1OC)CCN2C(=O)/C=C/c1ccccc1Cl ZINC000038473109 JK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1 ZINC000038473450 JK Annotated Anodyne CCCN(CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000038473825 JK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)c(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@@H](C)NC1=O ZINC000038514953 JK Annotated Mild CC(C)=C[C@@H](O)[C@@H](O)[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000038515405 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12CC=C(C)[C@@H]3C[C@@H]4C(C)(C)OC(=C(CC=C(C)C)C1=O)[C@]4(O)[C@@]32O ZINC000038515721 JK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000038515864 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@@]2(O)[C@]1(C)[C@H](O)C3 ZINC000038515911 JK Annotated Anodyne C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@H]2CC(C)(C)[C@@H]3CC[C@]4(C)C[C@]23CC[C@H]4O)c1 ZINC000038515913 JK Annotated Mild C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000038515914 JK Annotated Reactive C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1CC[C@H]2[C@]3(C)CC[C@@H](C(C)(C)O)O[C@H]3CC=C(C)[C@@]12C ZINC000038515975 JK Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000038563009 JK Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000038563012 JK Annotated Anodyne CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C(CCC(=O)O)C(=C(C)C)C=C4)CC[C@]23C)OC1=O ZINC000038563955 JK Annotated Anodyne C1=C\CCCCN2C[C@H]3CCCCCCCCCCN4CC[C@@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2 ZINC000038564829 JK Annotated Anodyne C/C(=C/CC[C@@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000038568221 JK Annotated Anodyne C/C(=C/CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000038568223 JK Annotated Anodyne C/C(=C\CC[C@@H](C=O)[C@@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000038576946 JK Annotated Anodyne COC[C@@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000038577477 JK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000038578308 JK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000038578312 JK Annotated Anodyne CC(C)C1=CC2=CC=C3[C@@](C)(COC(=O)c4ccc(O)c(O)c4)CCC[C@]3(C)C2=C(O)C1=O ZINC000038658035 JK Annotated Mild in-vitro biogenic Cc1c(O)c(O)cc2c1C=C[C@]1(C)C2=CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000038658077 JK Annotated Clean C/C(=C\CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000038658255 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](C(C)C)C[C@]1(O)Oc3c(c(C)cc4c(C(C)C)ccc(C)c34)C[C@]21O ZINC000038658983 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000038659900 JK Annotated Mild CC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000038660702 JK Annotated Anodyne CC(=O)CC[C@H]1[C@@H]([C@H]2C(=O)CC[C@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000038661026 JK Annotated Anodyne in-man CC(=O)CC[C@H]1[C@@H]([C@H]2C(=O)CC[C@]2(C)[C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000038661027 JK Annotated Anodyne in-man CC(=O)O[C@@H]1C[C@@]2(C)C[C@@](O)([C@@H]3CC(=O)C(C)=C[C@H]3OC(C)=O)CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000038661241 JK Annotated Mild C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)OC1)COS(=O)(=O)O ZINC000038661494 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C(=O)O)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000038662062 JK Annotated Anodyne CC(C)C1=CC2=CC=C3C(C)(C)C[C@H](OC(=O)c4ccc(O)c(O)c4)C[C@]3(C)C2=C(O)C1=O ZINC000038733772 JK Annotated Mild in-vitro biogenic C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=CC(=O)C(C)(C)C1=CC3)C(=O)O ZINC000038733830 JK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038734220 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O ZINC000038734808 JK Annotated Mild C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000038748540 JK Annotated Anodyne COC(OC)[C@]1(C)CC[C@@H]2[C@@]3(C)CC[C@@H](C)[C@@](C)(Cc4cc(C(=O)O)ccc4O)[C@@H]3CC[C@]21C ZINC000038748732 JK Annotated Anodyne CC(C)(C)c1cc(C2=NN[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc(C(C)(C)C)c1O ZINC000038749009 JK Annotated Clean CC(C)(C)c1cc(C2=NN[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc(C(C)(C)C)c1O ZINC000038749010 JK Annotated Clean CC/C(=C\[C@@H]1C=C[C@@H]2[C@@H](C)CC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H](O)/C(C)=C/C=C\C[C@H](O)CC(=O)O ZINC000038749146 JK Annotated Anodyne CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000038785026 JK Annotated Mild c1cc2cc(c1)Oc1ccc3c(c1)[C@H](Cc1ccc(cc1)Oc1cccc4c1[C@@H](C2)NCC4)NCC3 ZINC000038792136 JK Annotated Anodyne in-vitro c1cc2cc(c1)Oc1ccc(cc1)C[C@@H]1NCCc3cccc(c31)Oc1ccc3c(c1)[C@@H](C2)NCC3 ZINC000038792138 JK Annotated Anodyne in-vitro c1cc2cc(c1)Oc1ccc(cc1)C[C@@H]1NCCc3ccc(cc31)Oc1cccc3c1[C@@H](C2)NCC3 ZINC000038792169 JK Annotated Anodyne in-vitro CCc1cc2c(nc1CC)CCN(CC/C(C)=N/O[C@@H](C)CN1CCCCc3nc(C)c(C)cc31)C2 ZINC000038797116 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/O[C@@H](C)CN1CCCc3nc(C)c(C)cc31)C2 ZINC000038797118 JK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=C[C@@H](O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000038801359 JK Annotated Anodyne C(=N/Nc1ccccc1)\c1ccc(N2CCN(c3ccc(/C=N/Nc4ccccc4)cc3)CC2)cc1 ZINC000038801415 JK Annotated Mild C=C(C)[C@@H](O)CC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000038801521 JK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]12C ZINC000038801696 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]12C ZINC000038801698 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000038801700 JK Annotated Anodyne in-vitro O[C@@]12CCCCCC[C@H]3CCN4CCC[C@@H](CCCCCC[C@H]5CCN(CCC1)[C@@H]2O5)[C@H]4O3 ZINC000038801963 JK Annotated Anodyne N=c1ccn(Cc2ccc3c(c2)-c2cc(Cn4ccc(=N)c5ccccc54)ccc2C3)c2ccccc12 ZINC000038803066 JK Annotated Anodyne COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C[C@@H]1O ZINC000038803070 JK Annotated Mild in-vitro biogenic COC(=O)[C@@]1(C)C[C@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)C[C@@H]1O ZINC000038803071 JK Annotated Mild Cc1cc(C)cc(Oc2c(COCc3ccsc3)c(C)[nH]c(=O)c2I)c1 ZINC000038803164 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000038803196 JK Annotated Bother C/C1=C\C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)c2cc(C)c(O)cc2/C(C)=C/C=C/[C@H](C)C1 ZINC000038803938 JK Annotated Anodyne C/C1=C\C[C@@H]2C[C@@H](C[C@]3(CC[C@@H](C)[C@@H](C)O3)O2)OC(=O)c2cc(C)c(O)cc2/C(C)=C/C=C/[C@H](C)C1 ZINC000038803939 JK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23CCOC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000038803946 JK Annotated Mild CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO ZINC000038804117 JK Annotated Anodyne CC1=C(/C=C/[C@@H](C)[C@H]2CC[C@H]3C4=CC[C@H]5C(=O)[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)CCNC1 ZINC000038841850 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000038842015 JK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@]3(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]3(C)[C@@H](O)C[C@@]1(C)[C@@H]2CCCO ZINC000038842632 JK Annotated Anodyne Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12 ZINC000038843314 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000038843789 JK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC(C)(C)CC[C@]4(C(=O)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000038843795 JK Annotated Anodyne CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2ccc(CO)c(CO)c2)ccc1C ZINC000038844857 JK Annotated Anodyne CC1(C)Oc2nc(C(F)(F)F)nc(N)c2N=C1c1ccc2c(c1)CCC21CCC(CC(=O)O)CC1 ZINC000038852018 JK Annotated Anodyne C=C1C[C@@H]2C(=CC[C@H]3C(C)(C)[C@H](OC(C)=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@H]12 ZINC000038852598 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(C)C)CC[C@H](C)[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000038852810 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C)C(=C)C(C)(C)CC)CC[C@@]23C)[C@@]12CCC(=O)O2 ZINC000038876378 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](C)C(=C)C(C)(C)CC)CC[C@@]23C)[C@@]12CCC(=O)O2 ZINC000038876379 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC[C@@](C)(CC)C(=C)C)CC[C@@]23C)[C@@]12CCC(=O)O2 ZINC000038876383 JK Annotated Mild in-vitro biogenic c1ccc(COc2ccc(-c3cnc4c(-c5ncn[nH]5)cnn4c3C3CCCCC3)cc2)cc1 ZINC000038908724 JK Annotated Anodyne CC(=O)O[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000038909373 JK Annotated Anodyne CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)Cc1ccccc1)C[C@H]1C(C)=CC(=O)[C@H](C(C)C)[C@H]1/C=C\2C ZINC000038910226 JK Annotated Mild CC(C)=C1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038910473 JK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000038910639 JK Annotated Mild CC(C)[C@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)O[C@@H]1O ZINC000038911063 JK Annotated Anodyne CC1(C)[C@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)CC[C@]1(C)CCC#CC(O)(C(F)(F)F)C(F)(F)F ZINC000038911928 JK Annotated Mild in-vivo O=C(O)CCC/C=C(Br)/C=C/C=C/CC/C=C(Br)\C=C/Br ZINC000038911978 JK Annotated Anodyne CCOC(=O)c1c([C@H]2[C@@H](C(C)C)CC[C@@]2(C)C(=O)OCC)cc(C)c(Br)c1OCC ZINC000038912000 JK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000038912073 JK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000038912169 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000038912171 JK Annotated Mild O=c1oc2ccccc2cc1-c1cs/c(=N\N=C\c2ccc(Cl)c(Cl)c2)n1C1CCCCC1 ZINC000038912609 JK Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000038912628 JK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000038941603 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000038942161 JK Annotated Anodyne C=CC(C)(C)Oc1ccc(/C=C/C(OC)=C(C)\C(=C/OC)C(=O)OC)cc1OC[C@H]1OC1(C)C ZINC000038942224 JK Annotated Mild C=CC(C)(C)c1c(O)cc(OC)c2c1O[C@@]13C[C@H]4[C@@H](C=C1C2=O)[C@](CC=C(C)C)(OC4(C)C)C3=O ZINC000038943104 JK Annotated Mild Cc1cc(C)c2ccccc2c1-n1c(C)nnc1SCC(=O)Nc1ccccc1Br ZINC000038943339 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2C(=CC(=O)[C@@H]3[C@@]2(C)CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]32C)C1(C)C ZINC000038943507 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC3=O ZINC000038943853 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC3=O ZINC000038943855 JK Annotated Anodyne CC(=O)O[C@H](/C=C/C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000038944785 JK Annotated Anodyne CC(=O)O[C@H](/C=C/C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 ZINC000038944787 JK Annotated Anodyne CC(C)=C[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000038969862 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=C(C[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC3)C(=O)C[C@H]2C1(C)C ZINC000038970179 JK Annotated Mild CC(C)=CC[C@H](O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@H](O)CC[C@]21C ZINC000038970225 JK Annotated Mild Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc(O)c3)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000038970252 JK Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]42C)OC(=O)CC[C@@]13C ZINC000038970271 JK Annotated Mild Sc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000038970429 JK Annotated Mild Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl ZINC000038972031 JK Annotated Mild COc1cccc2c(-c3ccc4c(c3OCc3ccccc3)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000038972090 JK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000038992475 JK Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)C=C(C)C)[C@@]12C ZINC000038992520 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C ZINC000038992529 JK Annotated Mild CC(C)=CC(=O)/C=C(/C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CC(=O)[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000038992946 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C/C=C\C(C)(C)O)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000038993311 JK Annotated Anodyne Cc1cc(C)c(C2=CC(=C3C=CC(=[N+](C)C)C=C3)SC(c3ccc(N(C)C)cc3)=C2)c(C)c1 ZINC000038993436 JK Annotated Mild COc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC ZINC000039001863 JK Annotated Anodyne CC(C)=C[C@@H]1OC(=O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O ZINC000039014479 JK Annotated Anodyne CC1=CC[C@@H]2[C@H]1CC[C@](C)(O)[C@H](CC[C@H]1[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]31C)C2(C)C ZINC000039014713 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(O)C(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000039015205 JK Annotated Mild in-vitro biogenic CO[C@]1(C)C(C)=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]21 ZINC000039015252 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1C[C@H]3O)C(C)C ZINC000039035672 JK Annotated Mild COc1c(O)cc2c(c1C)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000039036013 JK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)C(=O)C[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000039036076 JK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000039036186 JK Annotated Anodyne CC(C)(CO)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000039036216 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCC[C@H](C)CCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000039036545 JK Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000039038019 JK Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000039038020 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000039067119 JK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)O[C@H](c1cc(CC=C(C)C)c(O)c(O)c1CC=C(C)C)CC2 ZINC000039067606 JK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)O[C@@H](c1cc(CC=C(C)C)c(O)c(O)c1CC=C(C)C)CC2 ZINC000039067607 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O ZINC000039070237 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@H](C)C(=O)O ZINC000039070239 JK Annotated Mild in-vitro biogenic COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]1(C)[C@@H]3CC[C@H]2C(C)C ZINC000039070474 JK Annotated Anodyne COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]1(C)[C@@H]3CC[C@H]2C(C)C ZINC000039071073 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000039108409 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)C[C@@]2(C)CCC[C@@]2(C)C(=O)/C=C/C(C)(C)O)c1 ZINC000039108470 JK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H](O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000039108474 JK Annotated Anodyne C[C@@H](C/C=C/C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)O)C(Cl)(Cl)Cl ZINC000039108641 JK Annotated Anodyne C=C1CC[C@]2(C)CC[C@]3(C)[C@H]([C@@H]2[C@H]1C)[C@H](OC(C)=O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C ZINC000039108819 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)OC ZINC000039109302 JK Annotated Mild CC1(C)OC[C@H](c2c(O)ccc3c2O[C@H](c2ccccc2)CC3=O)[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000039109755 JK Annotated Anodyne in-vitro C=C1CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(O)[C@@H](C)CC[C@@H]2OC(C)(C)C(=O)CC[C@]21C ZINC000039110159 JK Annotated Mild Clc1ccc([C@@H](COCc2cccc(Oc3ccccc3)c2)Cn2cncn2)c(Cl)c1 ZINC000039145207 JK Annotated Anodyne Clc1ccc([C@H](COCc2cccc(Oc3ccccc3)c2)Cn2cncn2)c(Cl)c1 ZINC000039145208 JK Annotated Anodyne CC(C)[C@@H]1CN(C2=CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)N(C)C)[C@@H]4CC[C@H]3C2=O)C1=O ZINC000039145239 JK Annotated Mild CC(C)[C@@H]1CN(C2=CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5CC[C@H]([C@H](C)N(C)C)[C@@]5(C)CC[C@@H]43)C2=O)C1=O ZINC000039145240 JK Annotated Mild COc1cccc2c(-c3cc(Br)c4c(c3O)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000039145271 JK Annotated Clean C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC(=O)[C@@H]2CC[C@@]1(C)C(=O)CC[C@@H]1[C@H](C)CC[C@H](CC)C(C)C ZINC000039145368 JK Annotated Mild CC(C)c1cc(/C=C2\CC/C(=C\c3cc(C(C)C)c(O)c(C(C)C)c3)C2=O)cc(C(C)C)c1O ZINC000039145439 JK Annotated Mild COc1cccc2c(-c3ccc4c(c3OCc3ccccc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000039145633 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC[C@H]5OC5(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000039146231 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@]23C(C)=CC[C@@]3(C)[C@H](C)/C=C2/C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)O ZINC000039166315 JK Annotated Mild CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O ZINC000039166804 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000039166855 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000039166856 JK Annotated Mild C=C(C(=O)O)[C@@H]1CC/C(=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CO1 ZINC000039182671 JK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000039182675 JK Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC=C4C(=CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)C[C@@H](O)[C@@]21C ZINC000039182740 JK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC(=O)C4=C(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)C[C@@H](O)[C@@]21C ZINC000039182741 JK Annotated Mild C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3OC(=O)/C=C/c1ccccc1 ZINC000039182904 JK Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H](CC/C(C)=C/CCC2=C(C)CC[C@@]3(C)CCC(C)(C)C[C@@H]23)C1(C)C ZINC000039183133 JK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)[C@]23CC[C@]([C@H](C)CCCC(C)C)(O[C@@]12C)O3 ZINC000039183200 JK Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000039183448 JK Annotated Anodyne CC1=C(/C=C/[C@@H](C)[C@H]2CC[C@H]3C4=CC[C@H]5C(=O)[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)CCN(C)C1 ZINC000039183460 JK Annotated Anodyne COc1cc(O)ccc1[C@H]1Oc2cc3oc(=O)ccc3cc2[C@@H]2C=C(C)C[C@@H](c3ccc(O)cc3)[C@H]12 ZINC000039183556 JK Annotated Anodyne in-vivo CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000039183620 JK Annotated Reactive C#C[C@@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000039183800 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000039183801 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000039183802 JK Annotated Mild CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000039204319 JK Annotated Anodyne CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O ZINC000039205845 JK Annotated Mild CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C[C@H](O)C(=O)O ZINC000039205891 JK Annotated Anodyne CCCCOc1cc(Nc2cc(C)nc3ccc4[nH]cnc4c23)c(OCCCC)cc1Cl ZINC000039214872 JK Annotated Anodyne COC(=O)[C@H](Oc1cc(Cl)c(Cl)c(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242686 JK Annotated Anodyne COC(=O)[C@@H](Oc1cc(Cl)c(Cl)c(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242687 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1Cl)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242698 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1Cl)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242699 JK Annotated Anodyne COC(=O)[C@@H](Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242700 JK Annotated Anodyne COC(=O)[C@H](Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242701 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(Cl)c2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242722 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(Cl)c2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242723 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242740 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242741 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242742 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242743 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C2CCCCC2)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000039242748 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C2CCCCC2)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000039242749 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C2CCCCC2)cc1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242758 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C2CCCCC2)cc1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242759 JK Annotated Anodyne CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000039254120 JK Annotated Anodyne CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1c(Cl)cccc1Cl)C(C)C ZINC000039254121 JK Annotated Anodyne CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000039254122 JK Annotated Anodyne Cc1cccc(N(C)c2cc(Nc3ccc(CC(=O)Nc4ccc5ncsc5c4)cc3)ncn2)c1 ZINC000039300940 JK Annotated Anodyne Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@H]5CCCC[C@@H]54)c3)ncn2)c1 ZINC000039301251 JK Annotated Anodyne Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@@H]5CCCC[C@@H]54)c3)ncn2)c1 ZINC000039301252 JK Annotated Anodyne Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@H]5CCCC[C@H]54)c3)ncn2)c1 ZINC000039301253 JK Annotated Anodyne Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@@H]5CCCC[C@H]54)c3)ncn2)c1 ZINC000039301254 JK Annotated Anodyne Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N(C)CCc4ccccn4)c3)ncn2)c1 ZINC000039301271 JK Annotated Anodyne CC(C)OC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)cc(-c2cccs2)c1C#N ZINC000039314963 JK Annotated Mild CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCC(C(C)(C)C)CC1)O2 ZINC000039318373 JK Annotated Bother Cc1ccc2nc(N3CCCCCC3)c(CN(C[C@@H]3CCCO3)C(=O)c3cncs3)cc2c1 ZINC000039353370 JK Annotated Anodyne Cc1ccc2nc(N3CCCCCC3)c(CN(C[C@H]3CCCO3)C(=O)c3cncs3)cc2c1 ZINC000039353371 JK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000039643440 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccc(N(C)C)cc3)CC2=N1 ZINC000004014011 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccc(N(C)C)cc3)CC2=N1 ZINC000004014017 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(N(C)C)cc3)CC2=N1 ZINC000004014019 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(N(C)C)cc3)CC2=N1 ZINC000004014026 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=N1 ZINC000004014619 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=N1 ZINC000004014621 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(F)cc3)CC2=N1 ZINC000004014626 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccc(F)cc3)CC2=N1 ZINC000004014631 JK Annotated Anodyne N#C[C@@H](C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc2ccccc2[nH]1 ZINC000004015156 JK Annotated Mild N#C[C@H](C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc2ccccc2[nH]1 ZINC000004015157 JK Annotated Mild CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004036522 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004036525 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036532 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036533 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036539 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036550 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000004036593 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000004036595 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000004036609 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000004036610 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000004036648 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000004036649 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037000 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037007 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037017 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037023 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037077 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037081 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037098 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037120 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037127 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037133 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037145 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004037149 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000004037189 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000004037191 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)c1ccccc1 ZINC000004037230 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)c1ccccc1 ZINC000004037236 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037291 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037295 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004037381 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004037384 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004037395 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004037404 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004037673 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004037682 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004037959 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004037980 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041718 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041720 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041722 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041729 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042377 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042396 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042418 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042433 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043246 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043248 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043252 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043257 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043292 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043293 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043297 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043300 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043373 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043376 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043379 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043382 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044239 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044242 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044244 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044247 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004044249 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004044252 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004044259 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004044260 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044288 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044290 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044294 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044300 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044302 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044303 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044305 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044309 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004044359 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004044361 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004044366 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004044368 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004044391 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004044392 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004044396 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004044402 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004044466 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004044468 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004044470 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004044472 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044698 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044699 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044701 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044703 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044967 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044969 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044970 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044972 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004045034 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004045035 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004045036 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004045038 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004045059 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004045060 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004045062 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004045063 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004045097 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004045101 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004045105 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004045109 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045285 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045289 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045297 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045303 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045647 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045648 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045650 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045652 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004046037 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004046040 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004046042 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004046045 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046346 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046347 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046351 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046355 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046371 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046373 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049563 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049564 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049565 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049566 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049567 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049568 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049569 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049570 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004049706 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004049707 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004049708 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004049709 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049720 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049721 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049722 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049723 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049724 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049725 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049726 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004049727 JK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004049928 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004049929 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004050248 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004050249 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004050250 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004050251 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004050354 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004050355 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004050356 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004050359 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004050622 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004050623 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004050627 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004050631 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004050633 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004050636 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004050638 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004050644 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004050670 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004050672 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004050675 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004050678 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051006 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051011 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051025 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051030 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004051269 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004051274 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004051276 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004051404 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004051405 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004051408 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004051410 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004051436 JK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004051440 JK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004051443 JK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004051447 JK Annotated Bother COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004051475 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004051477 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004051478 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004051479 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004051531 JK Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004051533 JK Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004051534 JK Annotated Bother C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004051537 JK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004051834 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004051835 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004051837 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004051838 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004051995 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004051998 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052001 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052006 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052032 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052036 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052038 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052043 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052044 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052046 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052048 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004052051 JK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004052157 JK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004052158 JK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004052325 JK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004052328 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004052666 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004052668 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004052670 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004052671 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004052693 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004052694 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004052696 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004052698 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052714 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052717 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052720 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052721 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004052726 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004052727 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004052728 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004052729 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004053038 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004053040 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004053045 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004053046 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004053067 JK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004053069 JK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004053073 JK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004053074 JK Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053298 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053299 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053301 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053303 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053304 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053305 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053307 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053308 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004053396 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004053398 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004053403 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004053408 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053457 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053458 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053459 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053460 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053461 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053462 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053465 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053468 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053499 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053500 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053501 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004053502 JK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004053602 JK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004053603 JK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004053758 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004053760 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004053881 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004053885 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004053892 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004053897 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054779 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054780 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054782 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054783 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055250 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055251 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055252 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055253 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004055274 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004055275 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004055276 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004055277 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055280 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055281 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055282 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055283 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055284 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055285 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055286 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055287 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055294 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055295 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055296 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055297 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055298 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055299 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055300 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004055301 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055398 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055399 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055400 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055401 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004055428 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055429 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004055430 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055431 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055510 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004055511 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004055512 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004055513 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055542 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055543 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055544 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055545 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055552 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055553 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055554 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055555 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055568 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055569 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055570 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055571 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055689 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055690 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055691 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055692 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055697 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055698 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004055703 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004055704 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004055705 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004055707 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004055824 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004055825 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004055826 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004055827 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004055844 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004055845 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004055846 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004055847 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004055864 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004055865 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004055866 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004055867 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004055868 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004055869 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004055870 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004055871 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004055880 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004055881 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004055882 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004055883 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055908 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055909 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055910 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055911 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004055958 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004055959 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004055960 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004055978 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004055979 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004055980 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004055981 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055982 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055983 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055984 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055985 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004055994 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004055995 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004055996 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004055997 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004056098 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004056099 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004056100 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004056101 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075534 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075535 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075536 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075537 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075601 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075602 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075603 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075604 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075633 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075634 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075635 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075636 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc1 ZINC000004075693 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc1 ZINC000004075697 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004075703 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004075711 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075724 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075729 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075736 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075740 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004075860 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004075873 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004075880 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004075888 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004075972 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004075974 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004075976 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004075977 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004075994 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004075996 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004075998 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004075999 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004076001 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004076003 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004076006 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004076007 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004076008 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004076009 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004076011 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004076012 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076014 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076017 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076019 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076022 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076184 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076187 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076191 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076193 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076456 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004076460 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004076462 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004076464 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076552 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076559 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004076566 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004076569 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076663 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076673 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004076686 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004076688 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077653 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077657 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077659 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077664 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004077751 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004077757 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004077763 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004077770 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004077969 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004077977 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004077983 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004077992 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078054 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078059 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078067 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078074 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078228 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078238 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078252 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078263 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004078715 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004078724 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004078739 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004078756 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004079549 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004079570 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004079589 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004079617 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004079728 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004079734 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004079741 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004079746 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OCC)cc2)cc1 ZINC000004079755 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OCC)cc2)cc1 ZINC000004079759 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000004079763 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000004079767 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079865 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079867 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079871 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079872 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080037 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080041 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080044 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080046 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080058 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080059 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080099 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080103 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080162 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080163 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080164 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080165 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080174 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080176 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080177 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080178 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080179 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080181 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080182 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080183 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000004080192 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000004080194 JK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)c1ccccc1 ZINC000004080198 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)c1ccccc1 ZINC000004080199 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080212 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080213 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080232 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080233 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080235 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004080236 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080237 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004080239 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004080242 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004080245 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004080256 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004080259 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004080268 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004080270 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004080303 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004080304 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080311 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080312 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080315 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080317 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080318 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080319 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080320 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080321 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080335 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080337 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080339 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080340 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080342 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080343 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080344 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080345 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080361 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080362 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080363 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080365 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080379 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080380 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080382 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080383 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080391 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080392 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080393 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080395 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080396 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080397 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080399 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080401 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080408 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080409 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080411 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080412 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080425 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080427 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080428 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080429 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080430 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080431 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000004080433 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000004080434 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080473 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080475 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000004080477 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000004080479 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080524 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080526 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080528 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080530 JK Annotated Bother CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000004080550 JK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000004080552 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080560 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004080561 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080562 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004080563 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004080565 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004080567 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc1 ZINC000004080576 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004080578 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)cc1 ZINC000004080609 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)cc1 ZINC000004080611 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000004080614 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000004080616 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004080667 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004080668 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004080669 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004080670 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004080676 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004080677 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004080679 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004080680 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080788 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080789 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080791 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080794 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004080905 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004080907 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004080910 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004080912 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080915 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080917 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080919 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004080920 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080931 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080932 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080934 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080936 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080937 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080938 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080939 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004080941 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004081078 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004081080 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004081082 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004081085 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004081112 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004081114 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004081119 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004081121 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004081124 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004081127 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004081128 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004081130 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004081178 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004081180 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004081184 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004081188 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004081202 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004081207 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004081209 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004081211 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004081215 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004081218 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081242 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081243 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081244 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081246 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081248 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081250 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081253 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081255 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004081456 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081459 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004081463 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081465 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081492 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081493 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004081495 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004081496 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004081513 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004081515 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004081517 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004081518 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000004081537 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000004081540 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081641 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081643 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081645 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004081648 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081660 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081662 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004081664 JK Annotated Anodyne C/C(=C\C[C@@]1(O)C(=O)c2ccccc2C(=O)[C@H]1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095918 JK Annotated Clean in-vitro C/C(=C\C[C@@]1(O)C(=O)c2ccccc2C(=O)[C@@H]1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095919 JK Annotated Clean in-vitro C/C(=C\C[C@]1(O)C(=O)c2ccccc2C(=O)[C@H]1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095920 JK Annotated Clean in-vitro C/C(=C\C[C@]1(O)C(=O)c2ccccc2C(=O)[C@@H]1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095921 JK Annotated Clean in-vitro C/C(=C\C[C@@H]1C(=O)c2ccccc2C(=O)[C@@]1(C)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095922 JK Annotated Clean in-vitro C/C(=C\C[C@H]1C(=O)c2ccccc2C(=O)[C@@]1(C)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095923 JK Annotated Clean in-vitro C/C(=C\C[C@@H]1C(=O)c2ccccc2C(=O)[C@]1(C)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095924 JK Annotated Clean in-vitro C/C(=C\C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004095925 JK Annotated Clean in-vitro C/C(=C\C[C@]12O[C@@]1(C)[C@@H](O)c1ccccc1[C@H]2O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004096932 JK Annotated Anodyne in-vivo C/C(=C\C[C@]12O[C@@]1(C)[C@@H](O)c1ccccc1[C@H]2O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004096933 JK Annotated Anodyne in-vivo C/C(=C\C[C@]12O[C@@]1(C)[C@@H](O)c1ccccc1[C@H]2O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000004096934 JK Annotated Anodyne in-vivo C/C(=C\C[C@]12O[C@@]1(C)[C@@H](O)c1ccccc1[C@H]2O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004096935 JK Annotated Anodyne in-vivo CC(=O)OC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000004097721 JK Annotated Anodyne in-vitro CC1=C[C@H]2[C@@H]([C@@H](c3[nH]c4ccccc4c3CCN(C)C)[C@]34CCN(C)[C@]23Nc2ccccc24)C(C)(C)C1 ZINC000004097861 JK Annotated Anodyne in-vitro CNCCc1c([C@@H]2[C@@H]3[C@H](C=C(C)CC3(C)C)[C@]34Nc5ccccc5[C@]23CCN4C)[nH]c2ccccc12 ZINC000004097888 JK Annotated Anodyne in-vitro C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000004098477 JK Annotated Anodyne in-vitro Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(cc4oc5cc(O)cc(O)c5c4c2O)O3)c1 ZINC000004098614 JK Annotated Anodyne in-vitro CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152044 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152045 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152046 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152047 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152711 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152713 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152742 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152744 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152746 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152748 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004152750 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004152752 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152937 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152938 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152940 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152942 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153075 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153077 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153080 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153083 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153255 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153256 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153257 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153258 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153270 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153271 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153272 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153273 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153282 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153283 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153284 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153285 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153430 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153431 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153487 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153488 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153489 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153490 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153507 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153508 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153509 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153510 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153531 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153532 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153533 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153534 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153547 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153548 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153549 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153550 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153575 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153576 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153577 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153578 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153626 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153627 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153628 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153663 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153664 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153665 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153666 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153790 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153791 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153792 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153793 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153815 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153816 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153817 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153818 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153829 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153830 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153831 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153832 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153841 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153842 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153843 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153848 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153849 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153850 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153851 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153891 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153892 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153893 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153894 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153925 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153926 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153927 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153928 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153937 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153938 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153939 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153940 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153957 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153958 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153959 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153960 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154043 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154044 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154045 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154046 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154323 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154324 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154325 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154326 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154331 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154332 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154790 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154800 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154891 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154898 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004154910 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004154920 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004154931 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004154935 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155176 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155177 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155178 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155179 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C(C)(C)CCl)nc2c1 ZINC000004156524 JK Annotated Reactive Cc1c(O)c(O)cc2c1CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@]12C ZINC000004165498 JK Annotated Clean in-vitro Cc1c(O)c(O)cc2c1C[C@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000004165625 JK Annotated Clean in-vitro Cc1c(O)c(O)cc2c1C[C@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000004165639 JK Annotated Clean in-vitro COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1c(F)cccc1F ZINC000004169053 JK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1c(F)cccc1F ZINC000004169054 JK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccccc2F)nc2ccccn12 ZINC000004172416 JK Annotated Anodyne CC(=O)Oc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(C)c(Cl)c(OC(C)=O)c(Cl)c1O2 ZINC000004175654 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000004175658 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000004175659 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000004175660 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000004175661 JK Annotated Anodyne in-vitro CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204467 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204469 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204470 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204472 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204637 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204638 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204639 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204640 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204653 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204654 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204655 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204657 JK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccccc2F)c1 ZINC000004204660 JK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccccc2F)c1 ZINC000004204662 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204679 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204681 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204684 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204685 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000004204703 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccsc2)ccc1OC ZINC000004204704 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204772 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204775 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204778 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204781 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204842 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204846 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204849 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204852 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204853 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204854 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204855 JK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205228 JK Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205231 JK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205233 JK Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205235 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205618 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205624 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205629 JK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205635 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004206769 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004206771 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004206773 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004206777 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004206823 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004206825 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004206827 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004206829 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004206838 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004206840 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004206843 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004206846 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206848 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206850 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206853 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206857 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206876 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206879 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206883 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206886 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206888 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206891 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206893 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004206896 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207128 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207130 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207132 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207133 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004207244 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004207245 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004207248 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004207251 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004207459 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004207460 JK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004207461 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004207462 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004207491 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004207492 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004207493 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004207494 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207501 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207502 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207503 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207504 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207517 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207518 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207519 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207520 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207684 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207685 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207687 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207690 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004207701 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004207705 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004207710 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004207711 JK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004207712 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004207713 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004207801 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004207802 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004207804 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004207806 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004207833 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004207834 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004207837 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004207839 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004207902 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004207904 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004207906 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004207908 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004207910 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004207911 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004207913 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004207914 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004207934 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004207938 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004207940 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004207943 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207987 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207989 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207991 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207994 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004208066 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004208067 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004208068 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004208098 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004208101 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004208103 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004208104 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208107 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208108 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208111 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208113 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc1 ZINC000004208283 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc1 ZINC000004208284 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004208285 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004208286 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004208287 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004208288 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004208289 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004208290 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004208311 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004208312 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004208313 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004208314 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004208323 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004208324 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004208325 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004208326 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004208335 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004208336 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004208337 JK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004208338 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004208343 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004208344 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004208345 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004208346 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208347 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208348 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208349 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208350 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208387 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208388 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208389 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208390 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208422 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208423 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004208424 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004208425 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208434 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208435 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004208436 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004208437 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208454 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208455 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004208456 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004208457 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208542 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208543 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208544 JK Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208545 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004208560 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004208561 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004208562 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004208563 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004208694 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004208695 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004208696 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004208697 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004208949 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208956 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004208962 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208970 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004208990 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004208991 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004209383 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004209386 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004209391 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004209395 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc1 ZINC000004209431 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004209443 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)cc1 ZINC000004209512 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)cc1 ZINC000004209515 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000004209519 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000004209524 JK Annotated Anodyne COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000004210020 JK Annotated Anodyne COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000004210024 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004210495 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004210500 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004210506 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004210515 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210522 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210530 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210539 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210549 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210610 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210614 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210622 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210628 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210633 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210638 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210645 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004210650 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)ccc1OC ZINC000004210735 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)ccc1OC ZINC000004210742 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)ccc1OC ZINC000004210747 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)ccc1OC ZINC000004210754 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004211034 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004211037 JK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004211040 JK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004211042 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004211044 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004211047 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004211053 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004211059 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004211081 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004211083 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004211088 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004211091 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004211093 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004211096 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004211097 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004211099 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004211197 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004211198 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004211199 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004211200 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004211512 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211514 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004211516 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211518 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211529 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211530 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004211531 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004211533 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211563 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211564 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004211567 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004211569 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000004211590 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000004211593 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211651 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211653 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004211656 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004211659 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211719 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211721 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004211724 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004211725 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211727 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211728 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211729 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004211730 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211760 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211762 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004211765 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211799 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211800 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004211802 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212569 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212572 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004212574 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004212576 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212916 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212919 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212921 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212923 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCC ZINC000004213818 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCC ZINC000004213819 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCC ZINC000004213821 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCC ZINC000004213823 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213848 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213850 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213853 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213856 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214080 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214082 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214084 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214085 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214189 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214192 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214193 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214194 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214217 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214219 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214221 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214223 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214227 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214228 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214231 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214233 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214492 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214495 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214497 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214498 JK Annotated Bother CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214769 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214771 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214774 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214778 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214816 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214819 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214822 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214823 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214850 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214851 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214853 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214855 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214974 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214976 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214978 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214979 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214981 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214982 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214985 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214987 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215007 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215010 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215012 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215015 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215017 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215019 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215020 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215022 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215093 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215095 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215097 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215100 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215104 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215107 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215110 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215112 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215132 JK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215134 JK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215136 JK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215137 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215167 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215168 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215170 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215171 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215174 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215175 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215178 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215180 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215238 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215240 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215242 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215244 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215259 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215261 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215262 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215265 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215481 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215483 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215485 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215488 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215512 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215514 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215515 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215516 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215518 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215519 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215522 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215525 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215614 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215616 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215617 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215618 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215635 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215636 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215637 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215640 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215674 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215676 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215677 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215679 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215750 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215751 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215754 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215755 JK Annotated Bother CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215834 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215837 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215840 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215842 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215869 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215870 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215873 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215875 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215947 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215950 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215954 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215958 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004216159 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004216165 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004216177 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004216190 JK Annotated Bother CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216382 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216385 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216386 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216388 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216410 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216412 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216416 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216418 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216428 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216429 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216430 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216432 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216451 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216453 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216455 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216456 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216640 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216642 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216646 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216648 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216689 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216692 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216696 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216700 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216703 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216706 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216709 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216711 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216765 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216769 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216772 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216776 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216813 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216815 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216819 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216822 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216825 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216830 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216836 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216838 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216937 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216940 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216943 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216946 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217036 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217039 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217042 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217044 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217047 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217048 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217050 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217053 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217121 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217122 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217125 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217129 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229530 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229531 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229532 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229533 JK Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000004237983 JK Annotated Anodyne CC(C)CN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1 ZINC000004238027 JK Annotated Anodyne O=C(c1csnn1)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000004238028 JK Annotated Anodyne N#Cc1ccc(CN2CC3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2)cc1 ZINC000004238121 JK Annotated Mild Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000004238123 JK Annotated Anodyne Cn1cc(-c2nc3cnc(Oc4ccccc4)nc3n(Cc3cccs3)c2=O)c2ccccc21 ZINC000004238867 JK Annotated Anodyne COc1cccc(N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)c2ccccc2C)c1 ZINC000004258182 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004273980 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004273984 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004273988 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004273991 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274024 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274037 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274046 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274051 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274091 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274104 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274109 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274116 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274161 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274181 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274184 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274192 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274200 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274209 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274212 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274214 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274225 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274227 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274229 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274233 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274236 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274240 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274247 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274253 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274325 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274330 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274336 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274345 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274390 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274395 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274401 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274406 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274412 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274421 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274432 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274439 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274479 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274488 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274492 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274496 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274540 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274542 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274544 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274546 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274579 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274581 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274584 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274586 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274615 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274616 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274618 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274621 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274630 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274632 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274634 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274636 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274652 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274655 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274657 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274659 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274692 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274695 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274697 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274699 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274724 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274726 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274728 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274730 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274811 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274813 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274815 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274817 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274873 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274875 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274878 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274880 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274960 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274961 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274963 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274965 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274966 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274968 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274969 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274970 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274971 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274972 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274973 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274974 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004275047 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004275048 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1OC ZINC000004275049 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1OC ZINC000004275050 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275083 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275084 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275085 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275086 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275087 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275088 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275089 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275090 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295093 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295094 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295095 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295096 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004295292 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004295296 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004295298 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004295301 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295444 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295451 JK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295454 JK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295457 JK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004295723 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004295724 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004295731 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004295732 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295818 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295820 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295821 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295824 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296029 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296034 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296039 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296044 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296206 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296207 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296208 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296210 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296240 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296241 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296242 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296244 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296361 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296362 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296364 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296365 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296398 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296399 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296400 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296401 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296402 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296403 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296404 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296405 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296406 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296407 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296408 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296409 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296449 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296450 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296451 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296452 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296507 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296508 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296509 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296510 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296519 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296520 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296521 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296522 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296548 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296549 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296550 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004296664 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004296665 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004296666 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004296667 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296668 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296669 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296670 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296671 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296672 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296673 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004296674 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004296715 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004296716 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004296717 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004296718 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004296774 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004296775 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004296776 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004296777 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004296786 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004296787 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1OC ZINC000004296788 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1OC ZINC000004296789 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296908 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296909 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296910 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296911 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296932 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296933 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296934 JK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296935 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296936 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296937 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296938 JK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004296939 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296940 JK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296941 JK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296942 JK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004296943 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296983 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296984 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296985 JK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296986 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310297 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310298 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310299 JK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310300 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310309 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310310 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310311 JK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310312 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310338 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310339 JK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310340 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004310430 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004310431 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004310432 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004310433 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310466 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310467 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310468 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310469 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004310478 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004310479 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004310480 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004310481 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004310510 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004310511 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004310512 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004310513 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004310542 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004310543 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004310544 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004310545 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004310550 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004310551 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004310552 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004310553 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004310590 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004310591 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004310592 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004310593 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004310622 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004310623 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004310624 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004310625 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004310646 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004310647 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1Br ZINC000004310648 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1Br ZINC000004310649 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310654 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310655 JK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310656 JK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004310657 JK Annotated Anodyne COCCCN(C(=S)Nc1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004334470 JK Annotated Anodyne COCCCN(C(=S)Nc1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004334472 JK Annotated Anodyne COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004347235 JK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004347238 JK Annotated Mild Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004347296 JK Annotated Anodyne COCCCN(C(S)=Nc1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354186 JK Annotated Mild COCCCN(/C(S)=N\c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354198 JK Annotated Mild CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355654 JK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355663 JK Annotated Anodyne COc1ccc2c(c1)CCCN2CCCCCCCCCCN(CCC(C)C)CCC(C)C ZINC000004366061 JK Annotated Clean CO[C@@H]1O[C@@H](OC)c2c1cc(O)c1c2O[C@@]2(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]2C1 ZINC000004393204 JK Annotated Anodyne C=C(C(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccc(C)cc2)c2ccccc21)c1ccccc1OC ZINC000004393367 JK Annotated Anodyne C=CCOC(=O)NCCCCCCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O ZINC000004393515 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC(=O)[C@@]45C[C@@]35[C@H](O)C[C@@]21C)C(C)C ZINC000004424218 JK Annotated Mild O=C1[C@@H]2C=CC=CC2=NC(=S)N1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004475146 JK Annotated Anodyne aggregator O=C1[C@H]2C=CC=CC2=NC(=S)N1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004475147 JK Annotated Anodyne aggregator CCN(CC)C[C@H](O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004489043 JK Annotated Mild CC(C)C(=O)CC[C@@]1(C)[C@H]2CC[C@H](C)[C@]1(CC[C@@]1(C)[C@@H](C)CC[C@@H]3OC(C)(C)[C@]4(O)CC[C@@]31O4)O2 ZINC000040379245 JK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@@]1(CC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000040379354 JK Annotated Mild in-vitro biogenic CC(C)=CCC/C(C)=C\C[C@]1(CC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000040379355 JK Annotated Mild Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040379532 JK Annotated Anodyne COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000040379554 JK Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379688 JK Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(Br)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379689 JK Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379701 JK Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379702 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cc3n[nH]c4nccnc34)c2F)c1 ZINC000040380075 JK Annotated Mild CC(C)OP(=O)(N[C@H](C(=O)Nc1ccc(/C=C/c2ccccc2)cc1)C(C)C)OC(C)C ZINC000040380125 JK Annotated Anodyne C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000040380144 JK Annotated Anodyne C=CC(C)(C)c1cc2c(cc1O)O[C@H](c1cc(O)c3c(c1CC=C(C)C)C[C@H](O)C(C)(C)O3)CC2 ZINC000040380182 JK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)O[C@H](c1cc(O)c3c(c1CC=C(C)C)C[C@@H](O)C(C)(C)O3)CC2 ZINC000040380183 JK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)O[C@@H](c1cc(O)c3c(c1CC=C(C)C)C[C@H](O)C(C)(C)O3)CC2 ZINC000040380184 JK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)O[C@@H](c1cc(O)c3c(c1CC=C(C)C)C[C@@H](O)C(C)(C)O3)CC2 ZINC000040380185 JK Annotated Mild Fc1cc(-c2nnc3n2N/C(=N/c2c(Cl)cccc2Cl)CS3)c(Cl)cc1Cl ZINC000040380198 JK Annotated Mild Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000040380399 JK Annotated Anodyne COc1c(O)cc2c(c1C)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@@]3(C)CC[C@]12C ZINC000040380586 JK Annotated Mild Fc1ccc(-c2cnc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)[nH]2)cc1 ZINC000040380681 JK Annotated Anodyne COC(=O)CC[C@@H]1[C@@](C)(C(C)=O)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C ZINC000040390750 JK Annotated Anodyne Fc1cc(-c2nnc3n2N/C(=N/c2cccc(Cl)c2Cl)CS3)c(Cl)cc1Cl ZINC000040390924 JK Annotated Mild Fc1ccc(-c2cc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)no2)cc1 ZINC000040390943 JK Annotated Anodyne CC(C)c1c(Nc2ccccc2)cc2c(c1Nc1ccccc1)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 ZINC000040391616 JK Annotated Anodyne C/C(=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C)C(=O)O ZINC000040391675 JK Annotated Mild FC(F)(F)c1ccc(Sc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000040392007 JK Annotated Anodyne C[C@H]1CC[C@@H]2CC(C)(C)C(=O)CC[C@@]2(C)[C@]1(O)CC[C@]1(C)[C@@H]2CC[C@H]3O[C@]2(CC[C@H]1C)OC3(C)C ZINC000040392038 JK Annotated Anodyne C=CC(C)(C)c1cc(CCCc2cc(O)c3c(c2CC=C(C)C)C[C@H](C(C)(C)O)O3)c(O)cc1O ZINC000040392047 JK Annotated Mild C=CC(C)(C)c1cc(CCCc2cc(O)c3c(c2CC=C(C)C)C[C@@H](C(C)(C)O)O3)c(O)cc1O ZINC000040392050 JK Annotated Mild Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040392241 JK Annotated Anodyne CN(C)c1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000040392607 JK Annotated Anodyne CC1=NN(/C(C)=N\OC(=O)c2ccccc2Cl)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040392657 JK Annotated Mild CC1=NN(/C(C)=N\OC(=O)c2ccccc2Cl)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040392658 JK Annotated Mild C[C@H]([C@H](O)/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000040392692 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cc3n[nH]c4c(N)cccc34)c2F)c1 ZINC000040392782 JK Annotated Mild CCCCCC(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(Cl)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040392792 JK Annotated Mild CCCCCC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(Cl)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040392793 JK Annotated Mild CCCCCC(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(Cl)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040392794 JK Annotated Mild CCCCCC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(Cl)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040392795 JK Annotated Mild CC1(C)C[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040392837 JK Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040392838 JK Annotated Anodyne OCc1cc(Cl)c(Nc2nc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3s2)c(Cl)c1 ZINC000040392922 JK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2F)C[C@H]1N1CCc2ccccc2C1 ZINC000040392941 JK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2F)C[C@@H]1N1CCc2ccccc2C1 ZINC000040392942 JK Annotated Anodyne CO/C(=C/C(=O)N(C)[C@@H](Cc1ccccc1)c1nccs1)C[C@@H](C)C(Cl)(Cl)Cl ZINC000040392959 JK Annotated Anodyne CO/C(=C/C(=O)N(C)[C@H](Cc1ccccc1)c1nccs1)C[C@H](C)C(Cl)(Cl)Cl ZINC000040392960 JK Annotated Anodyne CO/C(=C/C(=O)N(C)[C@H](Cc1ccccc1)c1nccs1)C[C@@H](C)C(Cl)(Cl)Cl ZINC000040392961 JK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(COC(C)=O)Cc1cc(C(=O)OC)cc(OC)c1OC(C)=O ZINC000040392963 JK Annotated Mild Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2)C[C@H]1N1CCc2ccccc2C1 ZINC000040393021 JK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000040393022 JK Annotated Anodyne C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000040393116 JK Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(OC(C)(C)C=C3)[C@](C)(C[C@@H](CC=C(C)C)[C@]1(C)CCC=C(C)C)C2=O ZINC000040393127 JK Annotated Mild CC[C@H](C)C(=O)[C@]12C(=O)C3=C(OC(C)(C)C=C3)[C@](C)(C[C@@H](CC=C(C)C)[C@]1(C)CCC=C(C)C)C2=O ZINC000040393128 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@]23OC[C@@]4(CC[C@](C)(CO)C[C@H]42)CC[C@]31C ZINC000040393211 JK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(F)cc2)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000040393275 JK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(F)cc2)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000040393276 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000040393321 JK Annotated Reactive O=C(O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000040393395 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccccc1 ZINC000040393396 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000040393397 JK Annotated Anodyne Cc1ccc(-c2nnc(-n3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4c3=O)s2)cc1 ZINC000040393452 JK Annotated Anodyne Cc1cccc(CNC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c1 ZINC000040393534 JK Annotated Clean C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@H](O)C[C@@H](C)CO)CC[C@@]23C)[C@@]1(C)CCCO ZINC000040393544 JK Annotated Mild CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040393571 JK Annotated Anodyne CCCCCCNC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000040393605 JK Annotated Clean CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040393758 JK Annotated Anodyne C[C@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000040393783 JK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)[C@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393829 JK Annotated Mild CC1=NN(c2ccc(Cl)cc2)[C@@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393831 JK Annotated Mild CC1=NN(c2ccc(Cl)cc2)[C@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393833 JK Annotated Mild CC1=NN(c2ccc(Cl)cc2)[C@@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393835 JK Annotated Mild O=C(O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000040394140 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccncc1 ZINC000040394143 JK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CC[C@H]3OC(C(C)(C)O)=CC[C@@]32C)[C@H]1Cc1c(OC)oc(C)c(C)c1=O ZINC000040394186 JK Annotated Mild CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C)cc2)cc1 ZINC000040394214 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C)cc2)cc1 ZINC000040394216 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C)cc2)cc1 ZINC000040394218 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C)cc2)cc1 ZINC000040394220 JK Annotated Clean COc1ccc(CCN(C)C#CCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1OC ZINC000040394281 JK Annotated Mild CC(C)(C)c1nc2nc(-c3ccccc3C#N)c(-c3ccc(Cl)cc3)cc2c2n[nH]c(=O)n12 ZINC000040394299 JK Annotated Mild CCN/C(=N/c1ccc(OCCn2c3ccccc3c3ccccc32)cc1)SCc1ccccc1 ZINC000040394310 JK Annotated Mild Oc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cnc(C(F)(F)F)c1Br ZINC000040394338 JK Annotated Anodyne CCOC(=O)/C(=C\Nc1cc(Br)c(OC)c(Br)c1)c1ccc(Cl)cc1 ZINC000040394374 JK Annotated Anodyne Fc1cc(-c2nnc3n2N/C(=N\c2ccccc2C(F)(F)F)CS3)c(Cl)cc1Cl ZINC000040394415 JK Annotated Mild CCOC(=O)c1cc2c(CN3CCCC3)c(O)c(OC)cc2nc1CSc1ccc(F)cc1 ZINC000040394495 JK Annotated Clean O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(/C=C/c2ccccc2)s1 ZINC000040394527 JK Annotated Anodyne C=C[C@](C)(O)CC[C@]1(C)C2=CCC[C@](C)(C(=O)N[C@@H](C(=O)OC)c3ccccc3)[C@H]2CC[C@H]1C ZINC000040394546 JK Annotated Mild C=C[C@](C)(O)CC[C@]1(C)C2=CCC[C@](C)(C(=O)N[C@H](C(=O)OC)c3ccccc3)[C@H]2CC[C@H]1C ZINC000040394548 JK Annotated Mild C#C[C@@H](O)/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C/C#CC(=O)O ZINC000040394629 JK Annotated Mild COC(=O)[C@H](C)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CC=O ZINC000040394636 JK Annotated Mild CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(C#N)cc3)cc2c2n[nH]c(=O)n12 ZINC000040394667 JK Annotated Mild CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c2n[nH]c(=O)n12 ZINC000040394792 JK Annotated Anodyne C=CC(C)(C)c1cc(CCCc2cc(O)c(O)c(CC=C(C)C)c2CC=C(C)C)c(O)cc1O ZINC000040394881 JK Annotated Mild in-vivo CCn1cc(C(=O)OC)c(=O)c2cc(F)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000040394921 JK Annotated Anodyne C[C@H]1C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000040394964 JK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OC(=O)C(C)(C)C)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000040394981 JK Annotated Anodyne CN(C)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000040394986 JK Annotated Anodyne NCc1cc(Cl)c(Nc2nc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3s2)c(Cl)c1 ZINC000040395112 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccccc2Oc2ccc(OC(F)(F)F)cc2)c(=O)c1Br ZINC000040395117 JK Annotated Anodyne CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sccc1OCc1ccccc1 ZINC000040395136 JK Annotated Mild CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1OCc1ccccc1 ZINC000040395137 JK Annotated Mild COc1ccc(-c2cc3c(nc2-c2ccccc2Cl)nc(C(C)(C)C)n2c(=O)[nH]nc32)cc1 ZINC000040395138 JK Annotated Anodyne COc1ccc2c(c1)[C@H](c1ccccc1NCCOc1ccccc1)N(CCOc1ccccc1)CC2 ZINC000040395319 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](c1ccccc1NCCOc1ccccc1)N(CCOc1ccccc1)CC2 ZINC000040395320 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000040395464 JK Annotated Anodyne CC(C)c1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000040395486 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(=O)c1ccccc1)[C@H]4O ZINC000040395644 JK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@@H]3CC=C4CO[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000040395663 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000040395671 JK Annotated Anodyne C/C(=C/CC[C@@H](C)C1=C2[C@@H](C)C[C@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]2(C)CC1)C(=O)O ZINC000040395755 JK Annotated Anodyne CC(C)(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000040401391 JK Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@@H]2CC(O)(c2ccncn2)C3)c(Cl)c1 ZINC000040401427 JK Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@H]3CC[C@@H]2CC(O)(c2ccncn2)C3)c(Cl)c1 ZINC000040401430 JK Annotated Anodyne O=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC000040401488 JK Annotated Reactive COc1cc(NC(C)=O)cc(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c1O ZINC000040401647 JK Annotated Anodyne NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 ZINC000040401942 JK Annotated Anodyne C/C(=C\CCC(=O)Nc1ccc(-c2ccc(OCC(=O)O)cc2)cc1Cl)c1ccc(C)cc1Cl ZINC000040402163 JK Annotated Anodyne COc1ccc(C(OCCNCc2cccc(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000040402254 JK Annotated Anodyne Clc1ccc([C@H](Cn2nnnc2Cc2ccccc2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402266 JK Annotated Anodyne Clc1ccc([C@@H](Cn2nnnc2Cc2ccccc2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402269 JK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)CCN3CCCCC3)C1)[C@H](c1ccccc1)C2 ZINC000040402344 JK Annotated Anodyne CN(C)C12C[C@@H](OC(=O)CCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040402347 JK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)CCN1CCCCC1)C2 ZINC000040402350 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040402408 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040402411 JK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040402414 JK Annotated Anodyne Clc1ccc([C@H](Cn2nnc(-c3ccccc3)n2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402578 JK Annotated Anodyne Clc1ccc([C@@H](Cn2nnc(-c3ccccc3)n2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402581 JK Annotated Anodyne Brc1ccccc1/C=C/CSSC/C=C/c1ccccc1Br ZINC000040402890 JK Annotated Reactive CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(OC)c2)cc1 ZINC000040403095 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(OC)c2)cc1 ZINC000040403098 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(OC)c2)cc1 ZINC000040403101 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(OC)c2)cc1 ZINC000040403104 JK Annotated Clean Cc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@]23CCc2c([nH]c4ccccc24)C3=O)cc1 ZINC000040403759 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2n[nH]cc2/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 ZINC000040404056 JK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000040404473 JK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000040404476 JK Annotated Anodyne CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000040404730 JK Annotated Anodyne CCC(=C\c1sc2c3ccccc3ccc2[n+]1CC)/C=C1/Sc2cc(C)c(C)cc2N1CC ZINC000040404869 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000040405216 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000040405219 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000040405222 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2)cc1 ZINC000040405225 JK Annotated Clean O=C(CCN1CCCC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040406281 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040406284 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040406287 JK Annotated Anodyne Clc1ccc2[nH]c3c[n+](CCOCC[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000040406339 JK Annotated Anodyne CN1C[C@@H](c2ccccc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000040406492 JK Annotated Anodyne C/C(=C/CCC(=O)Nc1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)c1ccc(C)cc1Cl ZINC000040408582 JK Annotated Anodyne CC(=O)NCCSC(=O)/C=C/c1ccc(OC/C=C(/C)CC/C=C(/C)CCC=C(C)C)cc1 ZINC000040409253 JK Annotated Mild Cc1ccc2nc(Cl)c(/C=C3/C(=O)N(c4c(Cl)cccc4Cl)c4ccccc43)cc2c1 ZINC000040409420 JK Annotated Anodyne O=C1/C(=C/c2cc3ccccc3nc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000040409499 JK Annotated Anodyne CCCCCN(CCCCC)c1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000040409584 JK Annotated Anodyne Cc1c(-c2nnc(C3CCCCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040409606 JK Annotated Anodyne CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 ZINC000040409638 JK Annotated Anodyne CCc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000040409758 JK Annotated Anodyne CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2csc3ccccc23)[nH]1 ZINC000040409847 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C3CCCCC3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040409988 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C3CCCCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040409992 JK Annotated Anodyne CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040410024 JK Annotated Anodyne C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCC3CCCC3)nn2)O1 ZINC000040410147 JK Annotated Mild CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000040410303 JK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040410370 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2snnc2-c2ccc(F)cc2F)c(Br)c1 ZINC000040410406 JK Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(C(F)(F)F)cc3)C1)[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410744 JK Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410747 JK Annotated Anodyne CN(C)C12CCNC([C@@H](c3ccc(C(F)(F)F)cc3)C1)[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000040410750 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000040410807 JK Annotated Mild CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C)CCC/C(C)=C/Cc1cc(O)ccc1O ZINC000040410997 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)CO ZINC000040411470 JK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000040411510 JK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040411836 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C)C(=O)O ZINC000040412023 JK Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 ZINC000040412056 JK Annotated Mild CCCCCCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccc(OC)cc3)[nH]c12 ZINC000040412113 JK Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(Br)cc3)C1)[C@H](c1ccc(Br)cc1)C2 ZINC000040412265 JK Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(Br)cc3)C1)[C@@H](c1ccc(Br)cc1)C2 ZINC000040412268 JK Annotated Anodyne CN(C)C12CCNC([C@@H](c3ccc(Br)cc3)C1)[C@@H](c1ccc(Br)cc1)C2 ZINC000040412271 JK Annotated Anodyne CC(C)(O)[C@@H](O)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000040412504 JK Annotated Anodyne in-vitro CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12 ZINC000040412755 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/Cn1c[n+](C)c2ncnc(NOC)c21 ZINC000040413013 JK Annotated Mild CCC(F)(F)CN1CCOc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O ZINC000040413146 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2snnc2-c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000040413197 JK Annotated Anodyne CC1=CC[C@@H](/C(C)=C/C=C/C(C)=C2\C(=O)C[C@@H]3[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]32C)OC1=O ZINC000040413472 JK Annotated Mild COCc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040413620 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000040413671 JK Annotated Mild CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000040414012 JK Annotated Anodyne CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3Cl)c3ccccc32)c1 ZINC000040420524 JK Annotated Anodyne CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3Cl)c3ccccc32)c1 ZINC000040420526 JK Annotated Anodyne NNc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C\c1ccc(Cl)cc1 ZINC000040420612 JK Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)N1c1nccs1 ZINC000040420959 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000040421110 JK Annotated Mild CCOC(=O)c1cc2c(CN3CCCCC3)c(O)c(OC)cc2nc1CSc1ccccc1 ZINC000040421246 JK Annotated Clean COc1ccc(Br)cc1/C=C/C(=O)c1c(O)cc(/C=C/c2ccc(N(C)C)cc2)oc1=O ZINC000040421409 JK Annotated Mild CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)C[C@](O)(C(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000040421532 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nn4c(Cc5ccc(SC)cc5)nnc4s3)o2)c([N+](=O)[O-])c1 ZINC000040421656 JK Annotated Bother CC1=C(CC[C@@H]2[C@H](C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]32C)[C@@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O ZINC000040421682 JK Annotated Mild O=C1O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(c2ccc(F)cc2)=C1O ZINC000040421765 JK Annotated Anodyne O=C1O[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(c2ccc(F)cc2)=C1O ZINC000040421767 JK Annotated Anodyne CC(C)CCc1cc(N(CC(C)C)C(=O)OC(C)(C)C)nc(NCc2cccc3ccccc23)n1 ZINC000040421925 JK Annotated Anodyne CN1C[C@H](c2ccccc2)[C@]2(CCC/C(=C\c3ccccc3)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000040422097 JK Annotated Mild O=C1[C@H](/C=C\c2cccc(Br)c2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000040422304 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000040422410 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000040422412 JK Annotated Anodyne C[C@H](CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000040422620 JK Annotated Anodyne C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000040422622 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000040422760 JK Annotated Mild Cc1ccc2c(Cc3nn4c(C=O)c(-c5ccc(Br)cc5)nc4s3)coc2c1 ZINC000040422773 JK Annotated Anodyne CCOC(=O)/C(=C/Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000040422858 JK Annotated Anodyne FC(F)(F)c1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1 ZINC000040422862 JK Annotated Anodyne Cc1cc(C)cc(-c2ccc(N3CCNCC3)c(/C=C/C(=O)c3ccc(NCCN(C)C)cc3)c2)c1 ZINC000040422897 JK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000040422900 JK Annotated Mild O=C1OC2(CCC(c3nc4ccc(-c5noc(C(F)(F)F)n5)cc4[nH]3)CC2)c2ccccc21 ZINC000040422923 JK Annotated Anodyne NCCN1CCC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422988 JK Annotated Anodyne NCCN1CCC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040422989 JK Annotated Anodyne Clc1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000040423058 JK Annotated Anodyne Clc1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000040423059 JK Annotated Anodyne Clc1ccc([C@H]2CC3(N4CCCC4)CCNC2[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000040423060 JK Annotated Anodyne CCC[C@@H](/C=C/C=C/C=C/C#CC#CCCCOCOCc1ccccc1)OCOCc1ccccc1 ZINC000040423091 JK Annotated Mild CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCOCOCc1ccccc1)OCOCc1ccccc1 ZINC000040423092 JK Annotated Mild CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)nn23)cc1 ZINC000040423281 JK Annotated Bother Cc1cc(NC(=O)c2ccc3c(c2)CCN(C(C)C)C3)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040423309 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)C=C(O)C(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000040423349 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040423353 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040423354 JK Annotated Mild CC(=O)O[C@@]1(C)CC(=O)c2c(c(C/C=C(\C)CCC=C(C)C)c3cc(O)cc(O)c3c2O)C1 ZINC000040423486 JK Annotated Anodyne CC(=O)O[C@]1(C)CC(=O)c2c(c(C/C=C(\C)CCC=C(C)C)c3cc(O)cc(O)c3c2O)C1 ZINC000040423487 JK Annotated Anodyne COc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1 ZINC000040423552 JK Annotated Anodyne COc1cc(-c2nc(CO)cc3c4ccccc4n(CCCc4ccccc4)c23)cc(OC)c1OC ZINC000040423680 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)c1O ZINC000040423706 JK Annotated Anodyne NC(=O)CN1CCC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040424049 JK Annotated Anodyne NC(=O)CN1CCC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040424050 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(=C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000040424085 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000040424148 JK Annotated Anodyne CCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)o1 ZINC000040424294 JK Annotated Anodyne CCCCC1(CCCC)OC(c2ccc(Cl)cc2)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040424366 JK Annotated Anodyne COc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)cc1-c1ccccc1 ZINC000040424431 JK Annotated Anodyne C=C/C=C(\C)C(=O)Nc1cccc(OCCCn2cc(-c3ccc(Cl)c(Cl)c3)c(N)nc2=O)c1 ZINC000040424508 JK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 ZINC000040424560 JK Annotated Anodyne CC(=O)C1=NN(c2ccc(Br)cc2)SC12c1ccccc1Oc1ccccc12 ZINC000040424826 JK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)OCCc2ccccc2)c1O ZINC000040424904 JK Annotated Mild CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1cc(C)ccc1C ZINC000040424922 JK Annotated Anodyne CCCCC1(CCCC)OC(c2cc(C)cc(C)c2)=NN1C(=O)NC(=O)c1ccccc1Cl ZINC000040425154 JK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040428707 JK Annotated Anodyne CN(C)c1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040428847 JK Annotated Clean CCCCC1(CCCC)OC(c2cc(C)cc(C)c2)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040429022 JK Annotated Anodyne Cc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1/N=c1\cc[nH]c2cc(Cl)ccc12 ZINC000040429044 JK Annotated Anodyne CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 ZINC000040429241 JK Annotated Anodyne CCCn1c(CC)nc(C)c1CN1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc23)CC1 ZINC000040429516 JK Annotated Anodyne CCN(CC)C(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12 ZINC000040429602 JK Annotated Bother CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1cc(C)ccc1C ZINC000040429642 JK Annotated Anodyne Cc1c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)ncn1C(C)C ZINC000040429778 JK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4ccc[nH]4)c(-c4ccccc4)c3)cc2)cc1 ZINC000040429882 JK Annotated Anodyne CC(C)(C)c1ccc(COC(=O)c2cc(CO)cc(C(=O)OCc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000040430390 JK Annotated Anodyne Cc1cc(NC(=O)c2ccc([C@@H](C)NCC(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040430623 JK Annotated Anodyne Cc1cc(NC(=O)c2ccc([C@H](C)NCC(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040430625 JK Annotated Anodyne CC1=CC[C@@H]2[C@H](CC[C@H](OC(=O)/C=C/c3ccc(O)cc3)C2(C)C)[C@H]1CC[C@H](C)CC(=O)O ZINC000040430678 JK Annotated Anodyne in-vivo C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040431086 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040431088 JK Annotated Mild CCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)n1CC ZINC000040431090 JK Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)nc1OC ZINC000040431120 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4F)c(F)c3)nc2c1 ZINC000040431281 JK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(Cl)cc1 ZINC000040431318 JK Annotated Anodyne O[C@H]1c2cc3ccc([nH]3)c(-c3ccccc3)c3ccc(cc4ccc(n4)c(-c4ccccc4)c(n2)[C@H]1O)[nH]3 ZINC000040434707 JK Annotated Anodyne CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447634 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447635 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447636 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447637 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447643 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447644 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447645 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447646 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1OC(F)F ZINC000040447647 JK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1OC(F)F ZINC000040447648 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1OC(F)F ZINC000040447649 JK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1OC(F)F ZINC000040447650 JK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(CSc2ccccc2)=N1 ZINC000040447673 JK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(CSc2ccccc2)=N1 ZINC000040447674 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447684 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447685 JK Annotated Reactive CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000040465327 JK Annotated Anodyne COc1oc(=O)c2cc(NC(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2c1Cl ZINC000040465821 JK Annotated Anodyne Cn1c2c(c3ccccc31)[C@@](C)(c1ccc(OCCCC(=O)O)cc1)c1cc(C(=O)O)sc1C2=O ZINC000040466325 JK Annotated Anodyne Cn1c2c(c3ccccc31)[C@](C)(c1ccc(OCCCC(=O)O)cc1)c1cc(C(=O)O)sc1C2=O ZINC000040466327 JK Annotated Anodyne CN(C)CCCNCCCc1cccc2c1Oc1c(CCCNCCCN(C)C)cccc1C2(C)C ZINC000040467003 JK Annotated Anodyne O=S(=O)(c1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1)C(F)(F)C(F)F ZINC000040505377 JK Annotated Anodyne CC1=NN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(C)=NN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040505520 JK Annotated Anodyne CC1=NN(C(=O)Nc2cccc3ccccc23)C(C)=NN1C(=O)Nc1cccc2ccccc12 ZINC000040505531 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)CCc1ccccc1 ZINC000040519639 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)Cc1ccccc1 ZINC000040519848 JK Annotated Anodyne CCCCN1C(c2ccc(O)cc2)N(CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040519887 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@H](Cl)c1ccccc1 ZINC000040520426 JK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)[C@H](Cl)c1ccccc1 ZINC000040520435 JK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040525605 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)c6oncc6C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000040527482 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)c6oncc6C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000040527483 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538363 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538365 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538366 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538368 JK Annotated Anodyne N#C/C(=C\c1ccccc1OCCN1CCN(c2ccccc2)CC1)c1noc2ccccc12 ZINC000040554657 JK Annotated Reactive COc1cc2c(c3nc4ccc5ccccc5c4c(OC)c13)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000040563879 JK Annotated Bother Cc1cccc(Nc2cc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)no2)c1C ZINC000040563905 JK Annotated Anodyne Cc1ccc(-c2nn(CCCCCCCn3ncc4ccccc4c3=O)c(=O)c3ccccc23)cc1 ZINC000040564090 JK Annotated Anodyne COC[C@H](C)Nc1nccc(N(C(=O)NCc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)n1 ZINC000040564258 JK Annotated Anodyne COc1cc(CCCCCCCCCCCCCCCCCCO)c(OC)c(OC)c1OC ZINC000040564276 JK Annotated Anodyne CCCCCC(=O)O[C@@]12CCO[C@@H]1N(C[C@]1(C)C(=O)C(C)=C(CCCC)C1=O)c1ccccc12 ZINC000040564341 JK Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2cccc(Br)c2)OC1=O ZINC000040564542 JK Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/C=C(/C)CCC=C(C)C)OC1=O ZINC000040564743 JK Annotated Mild Cc1cccc(Nc2cc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)[nH]n2)c1C ZINC000040565016 JK Annotated Anodyne Cc1cccc2sc(N[C@@H](c3ccc(C(F)(F)F)cc3)P(=O)(OC(C)C)OC(C)C)nc12 ZINC000040565207 JK Annotated Anodyne Cc1cccc2sc(N[C@H](c3ccc(C(F)(F)F)cc3)P(=O)(OC(C)C)OC(C)C)nc12 ZINC000040565209 JK Annotated Anodyne CCOc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](C#N)[C@H](O)c2ccccc2Cl)cc1 ZINC000040566086 JK Annotated Mild CCOc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](C#N)[C@H](O)c2ccccc2Cl)cc1 ZINC000040566088 JK Annotated Mild CCOc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](C#N)[C@@H](O)c2ccccc2Cl)cc1 ZINC000040566090 JK Annotated Mild CCOc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](C#N)[C@@H](O)c2ccccc2Cl)cc1 ZINC000040566092 JK Annotated Mild COc1cc(-n2cnc3cc(-c4cccc(Cl)c4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040566845 JK Annotated Anodyne COC[C@H](C)Nc1nccc(N(C(=O)NCc2ccc(Cl)cc2Cl)c2ccc(OC)cc2)n1 ZINC000040566974 JK Annotated Anodyne COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1CC1CCCCC1 ZINC000040567079 JK Annotated Anodyne COCCCn1c(C)nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc21 ZINC000040568113 JK Annotated Anodyne CC(C)c1cc(Br)cc(C(C)C)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000040568155 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccc([N+](=O)[O-])cc1 ZINC000040575631 JK Annotated Bother CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1[N+](=O)[O-] ZINC000040576320 JK Annotated Bother CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc(Cl)c1 ZINC000040576450 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1F ZINC000040576672 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc(F)c1 ZINC000040576818 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1OC ZINC000040577073 JK Annotated Anodyne COC(=O)CCCCCCCCC(=O)C1=C(C)/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C ZINC000040584241 JK Annotated Mild CCN(CC)C(=O)/C=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c1oc1ccc(Br)cc21 ZINC000040584501 JK Annotated Anodyne Cc1c([C@@H](C#N)c2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000040585272 JK Annotated Mild Cc1c([C@H](C#N)c2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000040585274 JK Annotated Mild CC1(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C=O)=CC[C@@H]2[C@@H]1CC[C@@]2(C)O ZINC000040587696 JK Annotated Reactive CC1(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C=O)=CC[C@H]2[C@@H]1CC[C@@]2(C)O ZINC000040587698 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000040587700 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C=O)=CC[C@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000040587702 JK Annotated Reactive CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(CO)=CC[C@@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000040587704 JK Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(CO)=CC[C@H]4[C@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CCC1=O ZINC000040587706 JK Annotated Anodyne CN(C)C12C[C@@H](OC(=O)/C=C/c3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040592105 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040592114 JK Annotated Anodyne CN(C)C12C[C@@H](OC(=O)c3ccc4c(c3)OCO4)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040592278 JK Annotated Anodyne CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000040614060 JK Annotated Reactive CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000040614062 JK Annotated Reactive CC(C)(C)NCc1c(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(O)cc1-c1ccc(Cl)cc1 ZINC000040617383 JK Annotated Anodyne O=S(=O)(c1nc(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)[nH]1)C(F)(F)C(F)F ZINC000040631724 JK Annotated Anodyne CC(C)N(CC[C@](CCCN1CC2CCC(CC2)C1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000040632555 JK Annotated Anodyne CC(C)N(CC[C@@](CCCN1CC2CCC(CC2)C1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000040632557 JK Annotated Anodyne CN(CCCCCCN1CCCC1)CCSSCCN(C)CCCCCCN1CCCC1 ZINC000040641027 JK Annotated Reactive N#C/C(=C\c1ccccc1OCCN1CCN(Cc2ccccc2)CC1)c1noc2ccccc12 ZINC000040641039 JK Annotated Reactive CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000040645962 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000040646070 JK Annotated Anodyne CCCCN1CN(CCCC)[C@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl ZINC000040646139 JK Annotated Anodyne CN(CCCC(C)(C)N=[N+]=[N-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000040651290 JK Annotated Anodyne CN(CCCC(C)(C)N=[N+]=[N-])[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000040651293 JK Annotated Anodyne C/C(=C\[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040662232 JK Annotated Clean C/C(=C\[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040662235 JK Annotated Clean C/C(=C\[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040662238 JK Annotated Clean C/C(=C\[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040662241 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(F)/C=C/[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040662266 JK Annotated Clean CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CSC[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000040670600 JK Annotated Anodyne CCO/C(O)=C1\C(CSc2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040684904 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040684907 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccn2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040685211 JK Annotated Reactive CCO/C(O)=C1\C(CSc2ccccn2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040685214 JK Annotated Reactive CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(O2)C2CC3CC(C2)CC1C3 ZINC000040720182 JK Annotated Bother COC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H](C)S[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000040720282 JK Annotated Anodyne COC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000040720284 JK Annotated Anodyne CN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000040723373 JK Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(/C=C/CN3CCCCC3)cc1C2)c1ccc(Cl)s1 ZINC000040742990 JK Annotated Anodyne COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000040753343 JK Annotated Anodyne in-vitro C[P@](=O)(O)[C@H](C(=O)N/C=C/c1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12 ZINC000040753699 JK Annotated Anodyne C[P@](=O)(O)[C@@H](C(=O)N/C=C/c1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12 ZINC000040753702 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1Cl ZINC000040754051 JK Annotated Anodyne O=C(NCc1ccccc1Cl)N(c1ccc(F)cc1)c1ccnc(Nc2c(F)cccc2F)n1 ZINC000040762344 JK Annotated Anodyne COc1ccc(N2C(=O)O[C@H](COC(=O)Cc3ccccc3)[C@H]2CCCc2ccccc2)cc1 ZINC000040762477 JK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4ccc(Cl)cc4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040762709 JK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4ccc(Cl)cc4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040762711 JK Annotated Mild COC(=O)c1c(-c2ccc(O)cc2O)c(-c2cccc(O)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000040762738 JK Annotated Anodyne CCCN(CCCNc1c2ccc(OC)cc2nc2ccc(C(F)(F)F)cc12)Cc1ccccc1 ZINC000040762878 JK Annotated Clean CCN1C(=O)/C(=C2\C=Cc3ccccc3N2C)S/C1=N\c1sc2cc(Cl)ccc2[n+]1C ZINC000040763089 JK Annotated Mild CN1CCC[C@H]1c1c([C@H]2CCCN2C)ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 ZINC000040763122 JK Annotated Anodyne CN1CCC[C@H]1c1ccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc2c1[C@@H]1CCCN1C ZINC000040763124 JK Annotated Anodyne COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)n1 ZINC000040763258 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000040763320 JK Annotated Anodyne COc1c(Br)c(O)c(Br)c2c1C(=O)O[C@H](C)CCCCCCC2 ZINC000040763338 JK Annotated Anodyne COc1c(Br)c(O)c(Br)c2c1C(=O)O[C@@H](C)CCCCCCC2 ZINC000040763339 JK Annotated Anodyne C[C@H](Nc1nccc(N(C(=O)Nc2c(Cl)cccc2Cl)c2ccc(F)cc2)n1)C(C)(C)O ZINC000040763457 JK Annotated Anodyne C=C1CC[C@@H]2CC[C@H](OC(=O)C/C(C)=C/[C@@H](OC(=O)c3ccc(Cl)cc3)C1)C(=O)C2(C)C ZINC000040764021 JK Annotated Mild O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(N3CCCCC3)nc2c1 ZINC000040764221 JK Annotated Anodyne COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc(C)c(Br)c3)c1NC2 ZINC000040764302 JK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc([N+](=O)[O-])c1 ZINC000040764408 JK Annotated Bother CCN(CC)CC(=O)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776006 JK Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776044 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000040776288 JK Annotated Anodyne COc1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3cc(Br)ccc32)cc1 ZINC000040776685 JK Annotated Mild CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@@H]1O[C@@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000040785314 JK Annotated Mild in-vitro Cn1c2c(c3ccccc31)[C@@](C)(c1cccc(CCCC(=O)O)c1)c1cc(C(=O)O)sc1C2=O ZINC000040802248 JK Annotated Anodyne Cn1c2c(c3ccccc31)[C@](C)(c1cccc(CCCC(=O)O)c1)c1cc(C(=O)O)sc1C2=O ZINC000040802252 JK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc(Cl)cc2)OC1=O ZINC000040810812 JK Annotated Mild COc1ccc2c(Cc3ccc(OC(F)(F)F)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000040810829 JK Annotated Anodyne Cc1ccccc1NC(=O)N(c1ccc(N(C)C)cc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000040812370 JK Annotated Anodyne C[C@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=CC(N)=C1C#N ZINC000040812508 JK Annotated Reactive C[C@@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=CC(N)=C1C#N ZINC000040812510 JK Annotated Reactive CCCN1N=C2/C(=C/c3ccc(C(C)(C)C)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000040818381 JK Annotated Anodyne O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000040819064 JK Annotated Mild Cc1ccccc1C[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000040822194 JK Annotated Anodyne COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccc(N(C)C)cc2)n1 ZINC000040822537 JK Annotated Anodyne COc1cc(-n2cnc3cc(-c4ccccc4Cl)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040822706 JK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040822951 JK Annotated Anodyne c1cc(NC2=NCCN2)ccc1CCCCCCCCCCCCc1ccc(NC2=NCCN2)cc1 ZINC000040822984 JK Annotated Anodyne CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1Br)C(C)C ZINC000040828481 JK Annotated Anodyne COc1ccccc1SC[C@H](CN[C@@H]1COc2ccccc2SC1)OC(=O)c1ccccc1 ZINC000040835208 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 ZINC000040835381 JK Annotated Reactive Cc1ccc2c(Cc3nn4c(CO)c(-c5ccc(Br)cc5)nc4s3)coc2c1 ZINC000040835490 JK Annotated Anodyne COc1cc(C)c2c(c1)C=C[C@](C)(CC(=O)/C=C(\C)CCC[C@@H](C)[C@@H](O)C(=O)C=C(C)C)O2 ZINC000040836085 JK Annotated Mild COc1cc(C)c2c(c1)C=C[C@@](C)(CC(=O)/C=C(\C)CCC[C@@H](C)[C@@H](O)C(=O)C=C(C)C)O2 ZINC000040836087 JK Annotated Mild COc1cc(C)c2c(c1)C=C[C@](C)(CC(=O)/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)O2 ZINC000040836089 JK Annotated Mild COc1cc(C)c2c(c1)C=C[C@@](C)(CC(=O)/C=C(\C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)O2 ZINC000040836091 JK Annotated Mild C[C@H]1CC[C@H]2C(=CC(=O)CC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000040836229 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000040836617 JK Annotated Mild in-vitro biogenic CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@H](F)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843792 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@H](F)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843795 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@H](F)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843798 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@H](F)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843800 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843924 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843927 JK Annotated Clean CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843928 JK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@H](O)[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O ZINC000040843931 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040843944 JK Annotated Mild C/C(=C\C[C@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040843946 JK Annotated Mild C/C(=C\C[C@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040843948 JK Annotated Mild C/C(=C\C[C@]12O[C@@]1(C=O)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040843950 JK Annotated Mild C/C(=C\C[C@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040843968 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040843970 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040843972 JK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CO)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040843974 JK Annotated Clean C[C@H](Nc1c(-c2c(F)cc(SCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040845283 JK Annotated Anodyne O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(Cl)c(O)c(Cl)c1 ZINC000040845787 JK Annotated Anodyne O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Br)c1 ZINC000040846585 JK Annotated Anodyne CC(C)OP(=O)(OC(C)C)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000040846644 JK Annotated Anodyne CCN(CC)C(=O)c1sccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12 ZINC000040846689 JK Annotated Bother C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040847117 JK Annotated Anodyne in-vitro Fc1cc(-c2nnc3n2N/C(=N\c2ccc(Cl)cc2Cl)CS3)c(Cl)cc1Cl ZINC000040847150 JK Annotated Mild N#Cc1cc(-c2cccs2)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 ZINC000040847571 JK Annotated Mild O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3cccnc3)c21 ZINC000040847643 JK Annotated Anodyne CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2/C1=C\c1ccccc1 ZINC000040847927 JK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2F)C[C@H]1N1CCc2ccccc2C1 ZINC000040848019 JK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2F)C[C@@H]1N1CCc2ccccc2C1 ZINC000040848020 JK Annotated Anodyne Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3cccc(Cl)c3)s2)cc1 ZINC000040848072 JK Annotated Anodyne CC(C)=CCc1ccc(-c2oc3c4c(c5c(c3c(=O)c2O)OC(C)(C)CC5)OC(C)(C)CC4)cc1O ZINC000040848103 JK Annotated Anodyne in-vitro Clc1ccc(-c2[nH]c3ccccc3c2-c2csc(/N=C/c3c[nH]c4ccccc34)n2)cc1 ZINC000040848145 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cc3n[nH]c4ncccc34)c2F)c1 ZINC000040848269 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cc3n[nH]c4cnccc34)c2F)c1 ZINC000040848270 JK Annotated Mild Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2)C[C@H]1N1CCc2ccccc2C1 ZINC000040848271 JK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000040848272 JK Annotated Anodyne COC(=O)C[C@@H]1[C@@](C)(C(C)=O)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C ZINC000040848375 JK Annotated Anodyne Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040848748 JK Annotated Anodyne O=[N+]([O-])c1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)c1 ZINC000040849047 JK Annotated Bother C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000040849114 JK Annotated Anodyne C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O[C@@H]1O ZINC000040849179 JK Annotated Anodyne C=CC(C)(C)c1cc(CCCc2cc(O)c3c(c2CC=C(C)C)CCC(C)(C)O3)c(O)cc1O ZINC000040859943 JK Annotated Mild C=CC(C)(C)c1cc(CCCc2cc(O)c3c(c2CC=C(C)C)C=CC(C)(C)O3)c(O)cc1O ZINC000040859945 JK Annotated Mild Cn1ccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(C#N)c4)c3F)n[nH]c2c1=O ZINC000040860190 JK Annotated Mild [N-]=[N+]=N[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000040860352 JK Annotated Clean [N-]=[N+]=N[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000040860354 JK Annotated Clean CC1=NN(/C(C)=N\OC(=O)c2ccccc2F)[C@H](c2ccccc2OCc2ccc(F)cc2)C1 ZINC000040860356 JK Annotated Mild CC1=NN(/C(C)=N\OC(=O)c2ccccc2F)[C@@H](c2ccccc2OCc2ccc(F)cc2)C1 ZINC000040860358 JK Annotated Mild Fc1ccc(-c2cc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)on2)cc1 ZINC000040860500 JK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc2ccccc12 ZINC000040860931 JK Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)c2nc(-c3ccccn3)c(-c3ccccn3)nc21 ZINC000040860972 JK Annotated Mild Fc1cc(F)c(-c2c(Cl)nc(-c3cc4ccccc4cn3)nc2NCC(F)(F)F)c(F)c1 ZINC000040861022 JK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040861094 JK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040861096 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4Cl)nnc3s2)c1 ZINC000040861243 JK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000040861437 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cc3n[nH]c4c(C#N)cccc34)c2F)c1 ZINC000040861702 JK Annotated Mild O=C(O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000040861827 JK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccncc1 ZINC000040861829 JK Annotated Anodyne C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)O[C@@H]1O ZINC000040861872 JK Annotated Anodyne CCCCN(CCCC)CC[C@@H](C)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000040862042 JK Annotated Bother CCCCN(CCCC)CC[C@H](C)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000040862044 JK Annotated Bother FC(F)(F)c1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)c1 ZINC000040862053 JK Annotated Anodyne O=C(N/N=C/c1ccc(Br)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040862106 JK Annotated Reactive C/C=C/C=C/C(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(Cl)cc2)[C@H]1Sc1ccc(C)cc1 ZINC000040862473 JK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(Cl)cc2)[C@H]1Sc1ccc(C)cc1 ZINC000040862475 JK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(Cl)cc2)[C@@H]1Sc1ccc(C)cc1 ZINC000040862477 JK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(Cl)cc2)[C@@H]1Sc1ccc(C)cc1 ZINC000040862479 JK Annotated Mild Fc1cc(F)c(-c2c(Cl)nc(-c3nccc4ccccc34)nc2NCC(F)(F)F)c(F)c1 ZINC000040862544 JK Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000040863040 JK Annotated Anodyne O=S(=O)(c1ccccc1)[C@](F)(c1nnc(C2CC2)o1)[C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1 ZINC000040863096 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(O)CC[C@]5(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040863115 JK Annotated Anodyne COc1ccc(S[C@@H]2[C@H](/C=N/OC(=O)c3ccccc3)C(C)=NN2c2ccc(Cl)cc2)cc1 ZINC000040863216 JK Annotated Mild COc1ccc(S[C@H]2[C@H](/C=N/OC(=O)c3ccccc3)C(C)=NN2c2ccc(Cl)cc2)cc1 ZINC000040863218 JK Annotated Mild COc1ccc(S[C@@H]2[C@@H](/C=N/OC(=O)c3ccccc3)C(C)=NN2c2ccc(Cl)cc2)cc1 ZINC000040863220 JK Annotated Mild COc1ccc(S[C@H]2[C@@H](/C=N/OC(=O)c3ccccc3)C(C)=NN2c2ccc(Cl)cc2)cc1 ZINC000040863222 JK Annotated Mild CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cccc6[nH]c(=S)[nH]c56)CC4)cccc3[nH]2)cc1 ZINC000040863391 JK Annotated Anodyne N#Cc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000040863436 JK Annotated Reactive Fc1cc(F)c(-c2c(Cl)nc(-c3ccc4ccccc4n3)nc2NCC(F)(F)F)c(F)c1 ZINC000040863800 JK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040863818 JK Annotated Anodyne CCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040864139 JK Annotated Anodyne CCCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040864141 JK Annotated Anodyne CCCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040864143 JK Annotated Anodyne CCN(CC)c1ccc(C(P2(=O)OCC(C)(C)CO2)P2(=O)OCC(C)(C)CO2)cc1 ZINC000040864147 JK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3F)C[C@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040864268 JK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3F)C[C@@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040864270 JK Annotated Anodyne O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3ccccc3)c21 ZINC000040864304 JK Annotated Anodyne C/C=C/C=C/C(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(Cl)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040864589 JK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(Cl)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040864592 JK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(Cl)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040864596 JK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(Cl)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040864599 JK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864735 JK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864738 JK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864741 JK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864744 JK Annotated Mild CC(=O)O[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000040865109 JK Annotated Anodyne CC(=O)O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000040865112 JK Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040865136 JK Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040865139 JK Annotated Anodyne COc1ccccc1Nc1cc2c(c([N+](=O)[O-])c1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 ZINC000040865279 JK Annotated Bother C[C@@H](CC[C@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000040865981 JK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)cc(OC(C)=O)c1OC(C)=O ZINC000040866499 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000040866880 JK Annotated Mild CC1=NN(/C(C)=N\OC(=O)/C=C/c2ccccc2)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040866928 JK Annotated Mild CC1=NN(/C(C)=N\OC(=O)/C=C/c2ccccc2)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040866930 JK Annotated Mild CCN(C(=O)NCc1ccccc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867007 JK Annotated Anodyne CCN(C(=O)NCc1ccccc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867009 JK Annotated Anodyne CCCCOc1c(-c2c(C)cc(OC)c3c(OC)cccc23)ccc2c1[C@@H](C)N(C=O)[C@H](C)C2 ZINC000040867142 JK Annotated Anodyne CC(C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000040867307 JK Annotated Anodyne in-vitro biogenic Fc1cc(-c2nnc3n2N/C(=N/c2cc(Cl)c(Cl)cc2Cl)CS3)c(Cl)cc1Cl ZINC000040872335 JK Annotated Mild CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)[C@H](O)C3 ZINC000040872344 JK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040872390 JK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(/C=C/c2ccccc2)s1 ZINC000040872607 JK Annotated Anodyne C=C(CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000040872698 JK Annotated Mild C=C(CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000040872700 JK Annotated Mild COc1c(OC(C)C)cc2oc3cc(OC(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000040872702 JK Annotated Bother O=C(Cc1cccc2ccccc12)Nc1cc(Br)ccc1OCCNC1CCCCC1 ZINC000040873176 JK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040873263 JK Annotated Anodyne Cc1ccc([C@H]2CC(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040873265 JK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040873266 JK Annotated Anodyne Cc1ccc([C@H]2CC(=O)[C@@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040873268 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2([C@@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000040873315 JK Annotated Reactive CC1(C)CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccc(Br)cc3)c2C1 ZINC000040873681 JK Annotated Clean COc1ccc(Nc2cc3c(c([N+](=O)[O-])c2C(C)C)C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)C3)cc1 ZINC000040873705 JK Annotated Bother CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 ZINC000040873900 JK Annotated Anodyne C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)O[C@@H]1O ZINC000040873908 JK Annotated Anodyne N#Cc1c(-c2ccccc2)cc(C(F)(F)F)c2c3n(nc12)[C@@]1(c2ccccc2)CCCC[C@H]1CN3 ZINC000040874272 JK Annotated Mild N#Cc1cc(Cl)c(Nc2nc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3s2)c(Cl)c1 ZINC000040874644 JK Annotated Mild COc1cc(O)ccc1[C@@H]1CC(C)=C[C@H]2c3cc4ccc(=O)oc4cc3O[C@H](c3ccc(O)cc3)[C@H]21 ZINC000040874656 JK Annotated Anodyne in-vivo CCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040874850 JK Annotated Anodyne CCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040874852 JK Annotated Anodyne CC(C)(C)c1nc(N2CCNCC2)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1 ZINC000040874926 JK Annotated Anodyne CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1cc(O)c2ccccc2c1O ZINC000040875013 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000040875031 JK Annotated Anodyne in-vitro biogenic CC[C@@H](C)c1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000040875066 JK Annotated Anodyne CC[C@H](C)c1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000040875068 JK Annotated Anodyne C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CSc3ccccc3)cc2)C[C@@H](C)N1 ZINC000040875108 JK Annotated Anodyne CCN(CC)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000040875179 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000040875227 JK Annotated Anodyne Cc1ccc(OCc2nnc(-c3cc(-c4cc(F)c(Cl)cc4Cl)nc4ccccc34)o2)cc1 ZINC000040875385 JK Annotated Anodyne Cc1ccccc1OCc1nnc(-c2cc(-c3cc(F)c(Cl)cc3Cl)nc3ccccc23)o1 ZINC000040875387 JK Annotated Anodyne CC(C)(C)c1nc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1 ZINC000040875417 JK Annotated Anodyne CCCCCc1cc2c(c(O)c1C(=O)O[C@@]1(C(C)C)CC=C(C)CC1)-c1cc(C)ccc1C(C)(C)O2 ZINC000040875689 JK Annotated Anodyne CCCCCc1cc2c(c(O)c1C(=O)O[C@]1(C(C)C)CC=C(C)CC1)-c1cc(C)ccc1C(C)(C)O2 ZINC000040875692 JK Annotated Anodyne CCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040875701 JK Annotated Anodyne FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4C(F)(F)F)nc23)cc1 ZINC000040875969 JK Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@H]2CCCc3ccc(NC(=O)CCc4ccccc4)cc32)cc1 ZINC000040876181 JK Annotated Anodyne CC(=O)c1ccc(-c2cc3c(nc2-c2ccccc2Cl)nc(C(C)(C)C)n2c(=O)[nH]nc32)cc1 ZINC000040876691 JK Annotated Anodyne CC(C)(C)c1nc2nc(-c3ccc(C#N)cc3Cl)c(-c3ccc(Cl)cc3)cc2c2n[nH]c(=O)n12 ZINC000040877109 JK Annotated Mild NC(=O)c1cc(Cl)c(Nc2nc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3s2)c(Cl)c1 ZINC000040877178 JK Annotated Anodyne C[C@@H](N)[C@@H](O)CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)[C@@H](C)N ZINC000040877390 JK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OC(C)=O)[C@@H](C)N(C(C)=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000040877423 JK Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000040877435 JK Annotated Mild CC(C)c1nc(OCc2ncon2)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1 ZINC000040877475 JK Annotated Anodyne O[C@]12CCCCCC[C@@H]3CCN4CCC[C@@H](CCCCCC[C@@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000040877935 JK Annotated Anodyne FC(F)(F)c1ccccc1Nc1ncnc2sc(Nc3c(Cl)cccc3Cl)nc12 ZINC000040879413 JK Annotated Anodyne CCOC(=O)CCc1c(/C=C/c2ccc(OC)c(OC)c2)noc1/C=C/c1ccc(OC)c(OC)c1 ZINC000040879595 JK Annotated Anodyne CC1(C)c2ccoc2C[C@@H]2C=C(CSSCC3=C[C@H]4Cc5occc5C(C)(C)[C@@H]4CC3)CC[C@H]21 ZINC000040879638 JK Annotated Reactive Cc1ccnc(C2(O)C[C@@H]3CC[C@H](C2)N3[C@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000040879685 JK Annotated Anodyne Cc1ccnc(C2(O)C[C@@H]3CC[C@H](C2)N3[C@@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000040879689 JK Annotated Anodyne CC1=NN(/C(C)=N\OC(=O)c2ccccc2F)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040880144 JK Annotated Mild CC1=NN(/C(C)=N\OC(=O)c2ccccc2F)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040880149 JK Annotated Mild CC(C)(C(=O)O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000040880230 JK Annotated Anodyne FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cn1 ZINC000040880352 JK Annotated Anodyne C=COc1ccccc1-c1c(Br)c2cc(C)ccc2c(=O)n1Cc1ccc(OC)cc1 ZINC000040880720 JK Annotated Anodyne CCN/C(=N/c1ccc(OCCn2c3ccccc3c3ccccc32)cc1)SCc1ccc(F)cc1 ZINC000040880904 JK Annotated Mild CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(C(F)(F)F)cc3)cc2c2n[nH]c(=O)n12 ZINC000040881021 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]([C@@H]2[C@@H](O)C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000040881152 JK Annotated Mild C=C(C)[C@@H]1CC[C@@H]([C@@H]2[C@@H](O)C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000040881156 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000040891588 JK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000040891601 JK Annotated Anodyne c1ccc(OCCNc2ccccc2[C@@H]2c3ccccc3CCN2CCOc2ccccc2)cc1 ZINC000040891725 JK Annotated Anodyne c1ccc(OCCNc2ccccc2[C@H]2c3ccccc3CCN2CCOc2ccccc2)cc1 ZINC000040891726 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1CN1CCCC1 ZINC000040891934 JK Annotated Anodyne Fc1ccc(-c2noc(C3CCN(c4cnc5ccc(OC(F)(F)F)cc5c4)CC3)n2)c(Cl)c1 ZINC000040891935 JK Annotated Anodyne CCN1/C(=C/C(C)=C/c2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21 ZINC000040891950 JK Annotated Clean CC(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000040892477 JK Annotated Anodyne COc1ccc(/C=C/C(=N\c2nnc(SCc3ccccc3)s2)c2ccc(Cl)cc2)cc1 ZINC000040892632 JK Annotated Mild Cc1cc(S(=O)(=O)Nc2nc3cscc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000040893023 JK Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(OC)c1Cc1c(O)c(C(=O)C(C)C)c2c(c1OC)C=CC(C)(C)O2 ZINC000040893351 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)N(CC#CN1CCN(c3ccccc3)CC1)c1ccccc1S2 ZINC000040893394 JK Annotated Mild Cc1ccc(-c2nnc(-n3c(/C=C/c4cccc(Cl)c4)nc4ccccc4c3=O)s2)cc1 ZINC000040893420 JK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000040893543 JK Annotated Anodyne in-vitro N#Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000040893814 JK Annotated Mild C=CC(C)(C)c1cc(CCCc2cc(O)c(O)c(C[C@H]3OC3(C)C)c2CC=C(C)C)c(O)cc1O ZINC000040893932 JK Annotated Mild in-vivo C=CC(C)(C)c1cc(CCCc2cc(O)c(O)c(C[C@@H]3OC3(C)C)c2CC=C(C)C)c(O)cc1O ZINC000040893935 JK Annotated Mild in-vivo O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccc(F)cc1 ZINC000040894617 JK Annotated Clean Clc1ccc(/C=C/C(=N\c2nnc(SCc3ccccc3)s2)c2ccc(Cl)cc2)cc1 ZINC000040894772 JK Annotated Mild Fc1ccc(N2N=C(c3ccc(Cl)cc3)[C@H](n3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040894814 JK Annotated Anodyne Cn1cc(CCN2CCCC2)c2ccc(-n3ccc4nc(-c5ccc(Cl)cc5)sc4c3=O)cc21 ZINC000040894839 JK Annotated Anodyne COC(=O)[C@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000040894880 JK Annotated Anodyne COc1ccc(CNC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000040894995 JK Annotated Clean Oc1cc(O)cc(Oc2cc(O)c3c(c2)Oc2c(O)cc(O)c(Oc4cc(O)cc(O)c4)c2O3)c1 ZINC000040895033 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]1(O)[C@H]2CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C(=O)O ZINC000040895324 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]1(O)[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)C(=O)O ZINC000040895327 JK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040895330 JK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040895333 JK Annotated Anodyne Cc1ccccc1N/C(=C/[N+](=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040895382 JK Annotated Anodyne Cc1ccccc1N/C(=C/[N+](=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000040895385 JK Annotated Anodyne C=C(C[C@H](C)CC/C=C(/C)C(=O)O)[C@@H]1C=C2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]1(C)CC ZINC000040895405 JK Annotated Mild C=C(C[C@H](C)CC/C=C(/C)C(=O)O)[C@H]1C=C2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]1(C)CC ZINC000040895408 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)[C@@H](C)C=O ZINC000040895411 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)[C@H](C)C=O ZINC000040895414 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)[C@@H](C)C=O ZINC000040895417 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)[C@H](C)C=O ZINC000040895420 JK Annotated Mild Cn1cccc1-c1nnc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(Cl)cc1Cl ZINC000040895553 JK Annotated Clean CCCC(=O)c1c(O)c(Cc2c(OC)c(C)c(O)c(C(C)=O)c2OC)c(OC)c2c1OC(C)(C)C=C2 ZINC000040895829 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(=O)c1ccccc1)C4=O ZINC000040895872 JK Annotated Anodyne C[C@H]1C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000040896199 JK Annotated Mild C[C@@H]1[C@@H]2[C@]3(CCC1(C)C)CC[C@]1(C)[C@]2(OC3=O)[C@@H](O)C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000040897734 JK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2OC)cc1 ZINC000040898003 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2OC)cc1 ZINC000040898007 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2OC)cc1 ZINC000040898010 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccccc2OC)cc1 ZINC000040898013 JK Annotated Clean COc1ccccc1C(=O)S[C@@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000040898132 JK Annotated Mild COc1ccccc1C(=O)S[C@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000040898135 JK Annotated Mild COc1ccc(N2N=C(C(=O)c3ccccc3)S/C2=C(/C(C)=O)C(=O)c2ccccc2)cc1 ZINC000040898416 JK Annotated Mild COc1ccccc1[C@@H]1[C@H](C)C(=O)[C@H](C)[C@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898770 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898773 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C)C(=O)[C@H](C)[C@@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898775 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898778 JK Annotated Anodyne CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)C12C(=O)c1ccccc1C2=O ZINC000040898853 JK Annotated Clean CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000040899010 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000040899014 JK Annotated Anodyne Cc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CCc2c([nH]c4ccccc24)C3=O)cc1 ZINC000040899438 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(O)c2)cc1 ZINC000040899505 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(O)c2)cc1 ZINC000040899508 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(O)c2)cc1 ZINC000040899510 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(O)c2)cc1 ZINC000040899513 JK Annotated Clean COc1ccccc1C(=O)S[C@@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000040899564 JK Annotated Mild COc1ccccc1C(=O)S[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000040899567 JK Annotated Mild Cc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040899773 JK Annotated Anodyne Cc1ccc([C@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040899776 JK Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040899779 JK Annotated Anodyne Cc1ccc([C@H]2[C@@H](C)C(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040899782 JK Annotated Anodyne Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3S(C)(=O)=O)c2)n1 ZINC000040900700 JK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Cl)c2)cc1 ZINC000040901069 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Cl)c2)cc1 ZINC000040901072 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Cl)c2)cc1 ZINC000040901075 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Cl)c2)cc1 ZINC000040901078 JK Annotated Clean O=C(c1ccc(Cl)cc1Cl)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1=S ZINC000040901296 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000040901379 JK Annotated Anodyne Oc1c(Cl)cc(SSc2cc(Cl)c(O)c(Cl)c2Cl)c(Cl)c1Cl ZINC000040901406 JK Annotated Reactive C/C(=C/CCC(=O)Nc1ccc(-c2ccc(OCC(=O)O)cc2)cc1Cl)c1ccc(C)cc1Cl ZINC000040913356 JK Annotated Anodyne COc1ccccc1-n1c(-c2sc(Nc3ccc(Cl)cc3)nc2C)nc2ccccc2c1=O ZINC000040913372 JK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Cl)cc2)cc1 ZINC000040913954 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Cl)cc2)cc1 ZINC000040913956 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Cl)cc2)cc1 ZINC000040913958 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Cl)cc2)cc1 ZINC000040913960 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(O)cc2)cc1 ZINC000040914133 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(O)cc2)cc1 ZINC000040914135 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(O)cc2)cc1 ZINC000040914137 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(O)cc2)cc1 ZINC000040914139 JK Annotated Clean O=C(c1cc(Cl)cc(Cl)c1)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1=S ZINC000040914214 JK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C)c2)cc1 ZINC000040914263 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C)c2)cc1 ZINC000040914265 JK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C)c2)cc1 ZINC000040914267 JK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C)c2)cc1 ZINC000040914268 JK Annotated Clean CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cc(OC)cc23)on1 ZINC000040914294 JK Annotated Anodyne CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040914457 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000040914684 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000040914686 JK Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040914962 JK Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040914963 JK Annotated Anodyne COc1cc(-c2nn(-c3ccccc3)c3nnc(-c4ccc(Cl)cc4)nc23)cc(OC)c1OC ZINC000040915990 JK Annotated Anodyne Clc1ccc2[nH]c3c[n+](C/C=C\C[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000040916608 JK Annotated Anodyne Clc1ccc2[nH]c3c[n+](CC#CC[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000040916610 JK Annotated Mild Clc1ccc2[nH]c3c[n+](CCCCCC[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000040916667 JK Annotated Anodyne CCOC(=O)C1=NO[C@H](c2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C1 ZINC000040916696 JK Annotated Anodyne CCOC(=O)C1=NO[C@@H](c2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C1 ZINC000040916698 JK Annotated Anodyne COc1cc(-c2nn(-c3ccc(Cl)cc3)c3nnc(-c4ccccc4)nc23)cc(OC)c1OC ZINC000040916773 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040917083 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040917084 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040917085 JK Annotated Anodyne COc1ccc(-c2ccc(-c3n[nH]cc3/C=C3\SC(=N)N(c4nccs4)C3=O)cc2)cc1 ZINC000040917104 JK Annotated Anodyne CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1C)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040917195 JK Annotated Anodyne Fc1cc(-c2nc3scc(-c4cc(F)c(Cl)cc4Cl)n3n2)c(Cl)cc1Cl ZINC000040918172 JK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000040918192 JK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000040918193 JK Annotated Anodyne C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc([N+](C)(C)Cc3ccccc3)c2)c1 ZINC000040918215 JK Annotated Bother O=C(CCN1CCCC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918278 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040918279 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918280 JK Annotated Anodyne CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918294 JK Annotated Anodyne CCSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918295 JK Annotated Anodyne O=S1(=O)Oc2ccccc2N(CCc2ccc(OCc3ccccc3)cc2)c2ncccc21 ZINC000040918343 JK Annotated Anodyne CCn1cc(C(N)=O)c(=O)c2cc(F)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000040918408 JK Annotated Anodyne NNc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918427 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000040918662 JK Annotated Mild CCN(c1ccc2c(c1)C(CCN(C)C)=C(C)C2)S(=O)(=O)c1sc(C)c2cc(Cl)ccc12 ZINC000040918883 JK Annotated Anodyne CC(C)=C1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(=O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040919015 JK Annotated Anodyne CC(=O)OC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@H](C)CC[C@]3(C(=O)O)CC[C@]21C ZINC000040919036 JK Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(-c4ccccc4)cc3)nn2)O1 ZINC000040919048 JK Annotated Mild Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(/C=C/C(=O)N2CCCCC2)cc1 ZINC000040919073 JK Annotated Anodyne Cc1ccc([C@@H]2CN(C)[C@@]3(C(=O)c4cccc5cccc3c45)[C@]23CCc2c([nH]c4ccccc24)C3=O)cc1 ZINC000040919250 JK Annotated Anodyne Cc1c(-c2nnc(C3CCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040933206 JK Annotated Anodyne O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(cc(/C=C/c3ccccc3)oc2=O)O1 ZINC000040933407 JK Annotated Anodyne in-vivo O=C(O)c1cc(Nc2ccc(CCc3ccc(Cl)c(Cl)c3)cc2)ccc1C(F)(F)F ZINC000040933708 JK Annotated Anodyne CCOC(=O)c1cn(CC)c2c(Sc3ccccc3)c(Sc3ccccc3)c(F)cc2c1=O ZINC000040933966 JK Annotated Anodyne CCn1cc(C(=O)OC)c(=O)c2cc(F)c(OCc3ccccc3)c(OCc3ccccc3)c21 ZINC000040933967 JK Annotated Anodyne CCSC(=S)SCC(=O)c1ccc(-c2ccc(CNc3cnc4ccccc4c3)cn2)s1 ZINC000040934030 JK Annotated Anodyne N=C(CCCCCCCCCCCC/C(N)=N\OC(=O)c1ccccc1)NOC(=O)c1ccccc1 ZINC000040934091 JK Annotated Mild CN(Cc1ccc(C(=O)O)cc1)C1CCC(Nc2ccc(Oc3ccc(-c4ncco4)cc3)cc2)CC1 ZINC000040934094 JK Annotated Anodyne CCOC(=O)c1cn(CC)c2c(OCc3ccccc3)c(OCc3ccccc3)c(F)cc2c1=O ZINC000040934126 JK Annotated Anodyne CCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040934303 JK Annotated Anodyne CCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040934304 JK Annotated Anodyne CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2sc3ccccc3c2C)n2nccc2N1 ZINC000040934315 JK Annotated Anodyne CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2sc3ccccc3c2C)n2nccc2N1 ZINC000040934316 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C ZINC000040934412 JK Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(-c4ccccc4)cc3)nn2)O1 ZINC000040934860 JK Annotated Mild CCNCc1ccc(C(=O)Nc2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1 ZINC000040935268 JK Annotated Anodyne C[C@@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(C)c1ccccc12 ZINC000040935320 JK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(C)c1ccccc12 ZINC000040935321 JK Annotated Anodyne C[C@@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(C)c1ccccc12 ZINC000040935323 JK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(C)c1ccccc12 ZINC000040935325 JK Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(-c4ccccc4)cc3)nn2)O1 ZINC000040935387 JK Annotated Mild COc1cc2c(cc1OCCCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000040935586 JK Annotated Mild C=C(C)[C@H]1C[C@]2(CC=C(C)C)CC(=O)[C@@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000040935654 JK Annotated Mild CCOC(=O)c1c(NCCNc2ccccc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040935883 JK Annotated Anodyne CCOC(=O)CCc1c(/C=C/c2ccc(OC)c(OC)c2)n[nH]c1/C=C/c1ccc(OC)c(OC)c1 ZINC000040936235 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000040936334 JK Annotated Mild CCCCCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040936596 JK Annotated Mild CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000040936898 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000040937103 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)c(Cl)c1)c1ccccc1S2 ZINC000040937440 JK Annotated Anodyne CC(C)OC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040937460 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040937583 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000040937600 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000040937602 JK Annotated Anodyne Cc1ccc2cc(/C=C3/C(=O)N(c4c(Cl)cccc4Cl)c4ccccc43)c(Cl)nc2c1C ZINC000040937709 JK Annotated Anodyne O=C1C(O)=C(Cc2ccc(OCCOc3cccc4ccccc34)cc2)C(=O)c2ccccc21 ZINC000040937922 JK Annotated Mild CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccncc1 ZINC000040938073 JK Annotated Anodyne NCCN1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040938235 JK Annotated Anodyne NCCN1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040938237 JK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000040938250 JK Annotated Anodyne CC(C)=CC[C@H]1C[C@]2(C(=O)C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000040938450 JK Annotated Mild in-vitro biogenic CCCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040938738 JK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(Cc3cccc4cccnc34)c2)c(Cc2cccc(F)c2)c1 ZINC000040939123 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@@H](C)c3ccccc3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040939482 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@@H](C)c3ccccc3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040939484 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@H](C)c3ccccc3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040939486 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@H](C)c3ccccc3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000040939488 JK Annotated Anodyne CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1Br ZINC000040939688 JK Annotated Anodyne COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)O1 ZINC000040939920 JK Annotated Anodyne CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(OC(=O)c1ccccc1)c1ccccc12 ZINC000040939922 JK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCC#CC#CCCCC#CCCCC#CCCCCCC#CC(=O)OC ZINC000040940071 JK Annotated Mild CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000040940107 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000040940109 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(N)cc1 ZINC000040940163 JK Annotated Anodyne C[C@@H]1CCC2=C(CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000040940199 JK Annotated Anodyne O=C(CSc1snnc1-c1ccc(Cl)cc1Cl)Nc1ccccc1Br ZINC000040940533 JK Annotated Anodyne O=C1Nc2ccc(cc2)NC(=O)Nc2ccccc2SCCCSc2ccccc2N1 ZINC000040943126 JK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1ccccc1)C(F)(F)F ZINC000040943144 JK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040943157 JK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040943235 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccco1 ZINC000040943261 JK Annotated Anodyne Clc1ccc(-c2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)c(Cl)c1 ZINC000040943407 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000040943680 JK Annotated Anodyne O=c1[nH]c(=S)[nH]c(-c2ccc(I)cc2)c1Cc1c(O)ccc2ccccc12 ZINC000040949479 JK Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccccc5C(F)(F)F)o4)nn23)cc1 ZINC000040949572 JK Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc(Br)cc5)o4)nn23)cc1 ZINC000040949665 JK Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4ccc(-c5cc(Cl)ccc5Cl)o4)nn23)cc1 ZINC000040949961 JK Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCC23CC4CC(CC(C4)C2)C3)=CC(=O)C[C@H]1C ZINC000040950427 JK Annotated Mild COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000040950489 JK Annotated Mild CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1Br ZINC000040950666 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)[C@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040950782 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)[C@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040950784 JK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)C[C@@H]1C=C(C)C(=O)[C@H]1C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040950790 JK Annotated Mild C=C[C@@](C)(CC/C=C(\C)C[C@@H]1C=C(C)C(=O)[C@H]1C=C(C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040950792 JK Annotated Mild CCOC(=O)c1nc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cs1 ZINC000040950847 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040951164 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)c1O ZINC000040951635 JK Annotated Anodyne C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000040951799 JK Annotated Reactive COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000040951937 JK Annotated Mild CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000040952020 JK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(C)c(CC=C(C)C)c1[C@@H]2O ZINC000040952062 JK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(C)c(CC=C(C)C)c1[C@H]2O ZINC000040952065 JK Annotated Anodyne N=C1S/C(=C\c2cc(Cc3ccccc3)[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1 ZINC000040952169 JK Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2ccccc2Br)cc1-c1ccccc1 ZINC000040952522 JK Annotated Anodyne CCc1nc(C)c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)s1 ZINC000040952618 JK Annotated Anodyne CCc1nc(C)c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)o1 ZINC000040952648 JK Annotated Anodyne CNC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)cc1-c1ccccc1 ZINC000040952775 JK Annotated Anodyne Cc1cc(NC(=O)c2ccc([C@@H](C)N3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040953243 JK Annotated Anodyne Cc1cc(NC(=O)c2ccc([C@H](C)N3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040953245 JK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040953365 JK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040953367 JK Annotated Anodyne CCCCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)cn1C ZINC000040953597 JK Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2ccccc2C(C)(C)C)cc1-c1ccccc1 ZINC000040953716 JK Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2cccc(Br)c2)cc1-c1ccccc1 ZINC000040953735 JK Annotated Anodyne CCOCCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1 ZINC000040954001 JK Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2cccc(C(C)(C)C)c2)cc1-c1ccccc1 ZINC000040954997 JK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(N4CCCC4)c(-c4ccccc4)c3)cc2)cc1 ZINC000040955015 JK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1cccc(Cl)c1 ZINC000040955085 JK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1cccc(Cl)c1 ZINC000040955095 JK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(Cl)cc1 ZINC000040955097 JK Annotated Anodyne O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)c(F)c4)c(F)c3)nc2c1 ZINC000040955619 JK Annotated Anodyne CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2ccccc2)nc(NCc2ccccc2)n1 ZINC000040955864 JK Annotated Anodyne C(=C/c1cc(NCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1)\c1ccccc1 ZINC000040955870 JK Annotated Anodyne CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 ZINC000040956095 JK Annotated Anodyne CN(C)c1ccc2c(-c3ccc(C(=S)N4CCCCC4)s3)c3ccc(=[N+](C)C)cc-3sc2c1 ZINC000040956217 JK Annotated Bother O=C(O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000040956818 JK Annotated Anodyne O=C(O[C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000040956821 JK Annotated Anodyne O=C(O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000040956825 JK Annotated Anodyne O=C(O[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000040956829 JK Annotated Anodyne O=C(O[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cc(CO)cc(C(=O)O[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000040956833 JK Annotated Anodyne O=C(O[C@H]1CCC[C@H]2CCCC[C@@H]12)c1cc(CO)cc(C(=O)O[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000040956836 JK Annotated Anodyne O=C(O[C@H]1CCC[C@@H]2CCCC[C@@H]21)c1cc(CO)cc(C(=O)O[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000040956840 JK Annotated Anodyne O=C(O[C@H]1CCC[C@@H]2CCCC[C@@H]21)c1cc(CO)cc(C(=O)O[C@H]2CCC[C@H]3CCCC[C@@H]23)c1 ZINC000040956845 JK Annotated Anodyne CCCCn1cnc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C ZINC000040972499 JK Annotated Anodyne O=S(=O)(Cc1ccc(Cl)cc1)N1CCC2(CC1)C[C@@H](c1ccccc1)c1ccccc1O2 ZINC000040972507 JK Annotated Anodyne O=S(=O)(Cc1ccc(Cl)cc1)N1CCC2(CC1)C[C@H](c1ccccc1)c1ccccc1O2 ZINC000040972509 JK Annotated Anodyne O=c1c2c3ccccc3nc3c4ccccc4n(c(=O)c4c5ccccc5nc5c6ccccc6n1c54)c32 ZINC000040972545 JK Annotated Bother Cc1cc(NC(=O)c2ccc([C@@H]3CCCN3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040972583 JK Annotated Anodyne Cc1cc(NC(=O)c2ccc([C@H]3CCCN3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040972585 JK Annotated Anodyne C[C@@H](N[C@@H]1C[C@H](c2cccc(OCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000040972617 JK Annotated Anodyne Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1 ZINC000040972909 JK Annotated Anodyne CC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1 ZINC000040973281 JK Annotated Anodyne O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12 ZINC000040973472 JK Annotated Anodyne O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12 ZINC000040973474 JK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1OC)C(=O)[C@@H](C)Cl ZINC000040973526 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1OC)C(=O)[C@@H](C)Cl ZINC000040973528 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1OC)C(=O)[C@H](C)Cl ZINC000040973530 JK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1OC)C(=O)[C@H](C)Cl ZINC000040973532 JK Annotated Reactive c1ccc(COc2ccc(-c3nc4scc(-c5ccc(OCc6ccccc6)cc5)n4n3)cc2)cc1 ZINC000040973612 JK Annotated Anodyne CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1 ZINC000040973880 JK Annotated Anodyne CC(C)c1nc2cc3c(cc2[nH]c1=O)nc(-c1ccc(C(=O)O)cc1)n3CCCc1ccccc1 ZINC000040973896 JK Annotated Anodyne CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(C(Cl)(Cl)Cl)cc1)c1ccccc1 ZINC000040974001 JK Annotated Anodyne Cc1c(C2=NC(=S)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040974152 JK Annotated Anodyne [N-]=[N+]=Nc1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040974716 JK Annotated Mild CCCCC1(CCCC)OC(c2ccc3c(c2)OCO3)=NN1C(=O)NC(=O)c1ccccc1Cl ZINC000040975972 JK Annotated Anodyne CCCCC1(CCCC)OC(c2ccc3c(c2)OCO3)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040976083 JK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@](O)(Cc2ccccc2)NC1=O ZINC000040976239 JK Annotated Mild C/C=C(C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@@](O)(Cc2ccccc2)NC1=O ZINC000040976241 JK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=O)[C@@]3(C)CC[C@H]21 ZINC000040976287 JK Annotated Reactive C=CCCCCCCOCC[C@@H]1[C@@H](CCC)OC(=O)[C@@]1(CC=C)S(=O)(=O)c1ccccc1 ZINC000040976473 JK Annotated Mild OCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1 ZINC000040976811 JK Annotated Anodyne CN1N=C(c2ccc(Br)cc2)[C@@H](n2ccnc2)[C@H]1c1ccc(Br)cc1 ZINC000040977498 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000040979299 JK Annotated Anodyne C=CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21 ZINC000040980180 JK Annotated Mild Cc1[nH]c(C)c(-c2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)c(=O)c1Br ZINC000040980598 JK Annotated Anodyne Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCc2ccccc21 ZINC000040981025 JK Annotated Bother CC1=CC[C@@H](/C(C)=C\c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000410428668 JK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1 ZINC000042764685 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)C)co1 ZINC000042765117 JK Annotated Mild CCCCCCCCCCCCC(C)(C)C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1 ZINC000042765133 JK Annotated Mild CCCCCCCCOC(=O)n1c([S@@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 ZINC000042765231 JK Annotated Mild CCCCCCCCOC(=O)n1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 ZINC000042765237 JK Annotated Mild CCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1 ZINC000042765295 JK Annotated Mild CCCCCCCCOC(=O)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000042784486 JK Annotated Mild CCCCCCCCS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccccc1 ZINC000042784682 JK Annotated Mild CCCCCCCCS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccccc1 ZINC000042784683 JK Annotated Mild CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C ZINC000042804537 JK Annotated Anodyne CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@]56C=CC(=O)O[C@H]5O6)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000042805532 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]24C)[C@@H]3C1 ZINC000042806273 JK Annotated Anodyne CN[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000042833983 JK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)NC)CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(C)=O ZINC000042833985 JK Annotated Anodyne C=C[C@@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)(OO)C(C)C ZINC000042834416 JK Annotated Anodyne C=C[C@](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)(OO)C(C)C ZINC000042834418 JK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1C(=O)C[C@]1(C)[C@@H]2CC[C@H]2[C@@H]3[C@H]4[C@@H](C[C@]3(C)CC[C@]21C)OC(=O)[C@@]41CO1 ZINC000042834479 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000042850762 JK Annotated Mild COc1cc(O)ccc1[C@H]1Oc2cc3oc(=O)ccc3cc2[C@@H]2C=C(C)C[C@@H](c3ccc(O)c(O)c3)[C@H]12 ZINC000042851117 JK Annotated Clean CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 ZINC000042851406 JK Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 ZINC000042851729 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000042875433 JK Annotated Mild C[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2C[C@@H](O)[C@]1(O)OC3 ZINC000042875577 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@@H](C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000042875842 JK Annotated Mild CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000042875862 JK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 ZINC000042875921 JK Annotated Mild C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000042876376 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@H]13 ZINC000042876538 JK Annotated Anodyne CCCCO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000042877121 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000042877221 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@@](O)(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@]12O ZINC000042877328 JK Annotated Anodyne CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@@H]3[C@@](C)(O)CC[C@H](Br)[C@@]3(C)CC[C@]12CBr ZINC000042877349 JK Annotated Reactive CC(=O)O[C@H](CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=CC1=O)[C@@](C)(O)CCC=C(C)C ZINC000042877884 JK Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1CC=C(C)C2=O)OC ZINC000042878101 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)CC[C@]4(C)[C@@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6C(=O)C[C@]54C)[C@@H]3[C@H]12 ZINC000042878129 JK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 ZINC000042878203 JK Annotated Mild CSc1cnc2ccccc2c1SCC#CCSc1c(SC)cnc2ccccc12 ZINC000042878253 JK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000042878279 JK Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878470 JK Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878474 JK Annotated Anodyne CN(C)C12CCNC([C@@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000042878477 JK Annotated Anodyne CCOP(=O)(CCN1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1)OCC ZINC000042878515 JK Annotated Mild CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C(=O)C[C@]23C)O1 ZINC000042878536 JK Annotated Anodyne O=c1[nH]c(S)nc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC/C3=C\c1ccc(Cl)cc1 ZINC000042887510 JK Annotated Anodyne COC(=O)[C@@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000042887741 JK Annotated Anodyne CC(=O)/C=C\C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000042887853 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000042888377 JK Annotated Mild OCCN1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000042888714 JK Annotated Anodyne OCCN1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000042888718 JK Annotated Anodyne COc1ccc(OC)c(-c2nc3sccn3c2/C=C2/C(=O)N(C)c3ccc(Cl)cc32)c1 ZINC000042889109 JK Annotated Clean CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]3(C)CC[C@]2(O)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000042889245 JK Annotated Anodyne CC(C)=C1CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)C(=O)C[C@@]56C[C@@]46CC[C@]23C)[C@H](O)C1 ZINC000042890781 JK Annotated Anodyne C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 ZINC000042891151 JK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 ZINC000042891156 JK Annotated Reactive CC(=O)c1c(Nc2ccc(Br)cc2Br)[nH]c2c(Cl)ccc(C)c2c1=O ZINC000042891291 JK Annotated Anodyne CCO[C@@H](Cc1ccc(OCCN2CC=C(c3cccc(Cl)c3Cl)CC2)cc1)C(=O)O ZINC000042891775 JK Annotated Anodyne CCO[C@H](Cc1ccc(OCCN2CC=C(c3cccc(Cl)c3Cl)CC2)cc1)C(=O)O ZINC000042891782 JK Annotated Anodyne C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 ZINC000042920483 JK Annotated Reactive CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@H]3O[C@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO ZINC000042920564 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)C(=O)C[C@H]3[C@@](C)(CO)C(=O)C=C[C@@]32C)CO1 ZINC000042922593 JK Annotated Anodyne CC(C)=C[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)C(=O)C[C@H]3[C@@](C)(CO)C(=O)C=C[C@@]32C)CO1 ZINC000042922595 JK Annotated Anodyne N#Cc1cc(F)cc(-c2ccc3c(c2)[C@](c2ccco2)(C(F)(F)C(F)(F)F)OCC(=O)N3)c1 ZINC000042922864 JK Annotated Mild N#Cc1cc(F)cc(-c2ccc3c(c2)[C@@](c2ccco2)(C(F)(F)C(F)(F)F)OCC(=O)N3)c1 ZINC000042922867 JK Annotated Mild C[N+](C)(C)CCCCCCCCCC[n+]1c(-c2ccccc2)cc(N)c2ccc3ccc(N)cc3c21 ZINC000042964214 JK Annotated Bother in-vivo C[C@@H](c1ccccc1)N1CCc2c([nH]c3ccc(Br)cc23)-c2c1ccnc2Cl ZINC000042965213 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)OCOC(=O)C(C)C ZINC000042989461 JK Annotated Anodyne O=C1/C(=C/c2ccc(F)cc2)CC[C@@]12[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000042989785 JK Annotated Mild O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1cccnc1 ZINC000042990006 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Oc2ccccc2)nc1 ZINC000042990031 JK Annotated Anodyne O=c1oc2ccccc2cc1-c1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 ZINC000043010800 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000043010885 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1c(Nc2ccccc2)nn2ccc(-c3ccc4ccccc4c3)nc12 ZINC000043010891 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2ccc(F)c(O)c2Nc2c(O)cc(O)cc21 ZINC000043011142 JK Annotated Anodyne O=C(c1cc2ccccc2s1)N1CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1 ZINC000043011942 JK Annotated Anodyne O=C(c1cc2ccccc2s1)N1CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C1 ZINC000043011945 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043012141 JK Annotated Anodyne C=CCOC(=O)C1=C(C)NC2=C(C(=O)C(C)(C)CC2)[C@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000043012601 JK Annotated Mild C=CCOC(=O)C1=C(C)NC2=C(C(=O)C(C)(C)CC2)[C@@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000043012604 JK Annotated Mild Cc1ccc(NC(=O)CSc2nccn2-c2cccc3ccccc23)c(Br)c1 ZINC000043012820 JK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/c1ccccc1O ZINC000043012958 JK Annotated Mild O=C(c1cc2ccccc2o1)N1CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1 ZINC000043012993 JK Annotated Anodyne O=C(c1cc2ccccc2o1)N1CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](Cc2ccccc2)C1 ZINC000043012996 JK Annotated Anodyne COc1cccc(-c2ccc3c(c2)Nc2cc(OCc4csc(C)n4)c(OC)cc2NC3=O)c1 ZINC000043013005 JK Annotated Anodyne C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccco3)CC2)cc1)c1ccc(Br)cc1 ZINC000043013404 JK Annotated Anodyne CCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043013547 JK Annotated Anodyne O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)Cn3cccn3)c(Cc3ccccc3)cc2c1 ZINC000043013981 JK Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)Cn3cccn3)c(Cc3ccccc3)cc2c1 ZINC000043013984 JK Annotated Bother O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccco1 ZINC000043014704 JK Annotated Anodyne CCCCNc1nc(NCCCC)nc(Nc2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)n1 ZINC000043015092 JK Annotated Anodyne CCCC/N=C1\N=C(O)/C(=C/c2cn(CCCCCOc3ccc(C#N)cc3)c3ccccc23)N1 ZINC000043015493 JK Annotated Mild CC(C)NC(=N)c1ccc(OCc2ccccc2COc2ccc(C(=N)NC(C)C)cc2)cc1 ZINC000043015504 JK Annotated Anodyne CCCCCc1c2c(cc(O)c1C(=O)OC)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 ZINC000043015583 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCCC3)c2ncccc2c1 ZINC000043015632 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCCC3)c2ncccc2c1 ZINC000043015635 JK Annotated Anodyne CC1(C)C=Cc2c(-c3ccc(NS(C)(=O)=O)cc3)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043015682 JK Annotated Anodyne CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccnc(Nc4ccnc(Cl)c4)c3)cc1N2 ZINC000043016813 JK Annotated Anodyne Clc1ccc(C[C@H](CNc2cc(N3CCCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043017345 JK Annotated Anodyne CCCc1cc(=O)oc2cc(-c3ccc(NC(=O)CCC(=O)O)cc3)c3c(c12)OC(C)(C)C=C3 ZINC000043017749 JK Annotated Anodyne C[C@H](Cc1ccccc1)n1c(-c2ncccc2C(F)(F)F)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043017755 JK Annotated Anodyne Cc1c(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)cnn1-c1ccccc1 ZINC000043017965 JK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccno1 ZINC000043018316 JK Annotated Anodyne Clc1ccc(C[C@H](CNc2cc(NC3CCCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043018882 JK Annotated Anodyne CCOc1ccc2[nH]c3c(ccc4nc5c6cccnc6c6ncccc6c5nc43)c3nccc1c23 ZINC000043019236 JK Annotated Bother COc1cccc(SC2=C(N(c3ccccc3)c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000043020083 JK Annotated Mild COc1c2occc2c(N2C(=O)CS[C@H]2c2ccc(Br)cc2)c2ccc(=O)oc12 ZINC000043020579 JK Annotated Anodyne COc1c2occc2c(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)c2ccc(=O)oc12 ZINC000043020581 JK Annotated Anodyne O=C1C(Sc2cccc3ccccc23)=C(N(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000043020590 JK Annotated Mild C[C@H]1C(=NOCc2ccccc2)[C@@H](C)[C@@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 ZINC000043020829 JK Annotated Mild C[C@H]1C(=NOCc2ccccc2)[C@@H](C)[C@@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000043020834 JK Annotated Mild C[C@@H]1C(=NOCc2ccccc2)[C@@H](C)[C@@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000043020836 JK Annotated Mild CC1(C)C=Cc2c(-c3ccc(NC(=O)CCC(=O)O)cc3)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043021384 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1-c1nc2ccccc2s1 ZINC000043021871 JK Annotated Anodyne COc1ccccc1Cc1cc(-c2ccccc2)nnc1NN=C(c1ccccc1)c1ccccc1 ZINC000043022065 JK Annotated Mild Cc1ccc2c(c1)N[C@H](c1ccccc1SC(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 ZINC000043022136 JK Annotated Mild Cc1ccc2c(c1)N[C@@H](c1ccccc1SC(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 ZINC000043022138 JK Annotated Mild C=C[C@](C)(C/C=C(\C)CCC=C(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000043023350 JK Annotated Mild C=C[C@@](C)(C/C=C(\C)CCC=C(C)C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000043023356 JK Annotated Mild O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccoc1 ZINC000043023743 JK Annotated Anodyne Brc1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2Br)cc1 ZINC000043024102 JK Annotated Anodyne O=S(=O)(Nc1oncc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043024292 JK Annotated Anodyne O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)Cn3ccnc3)c(Cc3ccccc3)cc2c1 ZINC000043024400 JK Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)Cn3ccnc3)c(Cc3ccccc3)cc2c1 ZINC000043024403 JK Annotated Bother Cc1ccc(-c2ccc(S(=O)(=O)Nc3sccc3-c3nc4ccccc4s3)cc2)cc1 ZINC000043024659 JK Annotated Anodyne N#Cc1ccc(OCCCCCn2cc(/C=C3\NC(Nc4ccccc4)=NC3=O)c3ccccc32)cc1 ZINC000043025015 JK Annotated Mild Fc1cc(F)c2nc(-c3ccc(-n4cncn4)cc3)n(Cc3cccc(C(F)(F)F)c3)c2c1 ZINC000043025268 JK Annotated Anodyne CCCCOc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043025493 JK Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000043041493 JK Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C(F)(F)F)c2)C1 ZINC000043041497 JK Annotated Anodyne C[C@@H]1C(=NOCc2ccccc2)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000043059248 JK Annotated Mild C[C@@H]1C(=NOCc2ccccc2)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000043059252 JK Annotated Mild C[C@@H]1C(=NOCc2ccccc2)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000043059254 JK Annotated Mild Cc1csc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000043060345 JK Annotated Anodyne Cc1nnc(-c2cccc(S(=O)(=O)Nc3sccc3-c3nc4ccccc4s3)c2)o1 ZINC000043060349 JK Annotated Anodyne C=C[C@]1(C)Cc2c(OC(=O)c3ccccc3)ccc(OC(=O)c3ccccc3)c2C[C@@H]1C(=C)C ZINC000043060688 JK Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000043061160 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000043061166 JK Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCCC3CCCCC3)c3ccccc32)nc2ccccc21 ZINC000043061247 JK Annotated Mild Clc1ccc(C[C@H](CNc2cc(NC3CCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043061769 JK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)C1CCCC1 ZINC000043061937 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cc(F)cc(O)c2Nc2c(O)cc(O)cc21 ZINC000043061947 JK Annotated Anodyne CCCCCCSc1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1Cl ZINC000043062070 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2cc(Cl)ccc2c1 ZINC000043062281 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000043062419 JK Annotated Anodyne CCn1cc(Cl)c(=Nc2cccc(CCc3ccc(OC(F)(F)F)cc3)c2)c(Cl)c1 ZINC000043062434 JK Annotated Anodyne Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1 ZINC000043062951 JK Annotated Anodyne CSC1=N/C(=C\c2cn(CCCCCOc3ccc(C#N)cc3)c3ccccc23)C(=O)N1C ZINC000043063344 JK Annotated Mild Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1 ZINC000043063864 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C ZINC000043064619 JK Annotated Mild COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](C(C)C)NC23CCCCCC3)c2ncccc2c1 ZINC000043064763 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C(C)C)NC23CCCCCC3)c2ncccc2c1 ZINC000043064768 JK Annotated Anodyne CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043064993 JK Annotated Anodyne O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1 ZINC000043065858 JK Annotated Anodyne CC1=C[C@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000043065934 JK Annotated Anodyne CC1=C[C@@](O)(C[C@@H](C)C2=CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O ZINC000043065938 JK Annotated Anodyne CCCc1cc(=O)oc2cc(-c3cccc4c3Sc3ccccc3S4)c3c(c12)OC(C)(C)C=C3 ZINC000043067342 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 ZINC000043067544 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000043067785 JK Annotated Anodyne CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)cc1Cl ZINC000043067841 JK Annotated Anodyne COc1cccc(-c2ccc3c(c2)Nc2cc(OCc4ccncc4)c(OC)cc2NC3=O)c1 ZINC000043069684 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1-c1nc2ccccc2s1 ZINC000043069737 JK Annotated Anodyne COc1ccc(CN2C(=O)CN(C(=O)c3cc4ccccc4s3)C[C@H]2CCc2ccccc2)cc1 ZINC000043070186 JK Annotated Anodyne COc1ccc(CN2C(=O)CN(C(=O)c3cc4ccccc4s3)C[C@@H]2CCc2ccccc2)cc1 ZINC000043070190 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](C)(CC)CC1 ZINC000043070407 JK Annotated Mild Cc1ccc(/C=C2\CC[C@]3(C2=O)[C@H](c2ccc(C)cc2)C(c2ccccc2)=NN3c2ccccc2)cc1 ZINC000043070891 JK Annotated Mild Cc1csc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1-c1nc2ccccc2s1 ZINC000043070948 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)O[C@H](C)OC(=O)C(C)C ZINC000043071783 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)O[C@@H](C)OC(=O)C(C)C ZINC000043071786 JK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/c1ccccc1 ZINC000043072876 JK Annotated Mild Cc1ccc(/C=N/n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000043073902 JK Annotated Mild COc1ccc2c(c1)sc1c(=O)oc(-c3ccc(F)cc3)c(I)c12 ZINC000043074011 JK Annotated Anodyne COCCOC(=O)C1=C(C)NC2=C(C(=O)C(C)(C)CC2)[C@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000043074149 JK Annotated Mild COCCOC(=O)C1=C(C)NC2=C(C(=O)C(C)(C)CC2)[C@@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000043074152 JK Annotated Mild CCCCc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043074435 JK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1 ZINC000043074713 JK Annotated Mild CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)OCOC(=O)C(C)(C)C ZINC000043074735 JK Annotated Anodyne CCNC(=O)c1cc2c(-c3cc(ONC4CCCCC4)c(Cl)cc3Cl)nc(N)nc2s1 ZINC000043074981 JK Annotated Anodyne CCCCCc1c(Oc2cc(OC)cc3c2C(=O)O[C@@]3(CCCC)OC)c(O)cc(O)c1C(=O)O ZINC000043075533 JK Annotated Anodyne CCCCCc1c(Oc2cc(OC)cc3c2C(=O)O[C@]3(CCCC)OC)c(O)cc(O)c1C(=O)O ZINC000043075535 JK Annotated Anodyne c1ccc(OCCCCCCOc2cccc(-c3cc4cc(C5=NCCN5)ccc4o3)c2)cc1 ZINC000043075613 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1-c1nc2ccccc2s1 ZINC000043076596 JK Annotated Anodyne O=C1CS/C(=N\N=C2[C@H]3CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)N1 ZINC000043076756 JK Annotated Mild COc1ccc2c(CN3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)cc3cc4c(cc3c2c1)OCO4 ZINC000043077290 JK Annotated Bother COc1ccc2c(CN3CCC[C@H](CNC(=O)OC(C)(C)C)C3)cc3cc4c(cc3c2c1)OCO4 ZINC000043077293 JK Annotated Bother ClCCN(CCCl)CCCCOc1cccc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000043077565 JK Annotated Reactive O=c1cc(-c2ccccc2)c2c(O)cc(-c3cccc4c3Sc3ccccc3S4)cc2o1 ZINC000043078264 JK Annotated Anodyne CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc(C(F)(F)F)cc(Cl)c2F)C2=C(CCC(C)(C)C2=O)N1 ZINC000043078712 JK Annotated Mild CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)C2=C(CCC(C)(C)C2=O)N1 ZINC000043078714 JK Annotated Mild CCN(C[C@@](O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043078732 JK Annotated Anodyne CCN(C[C@](O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043078734 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)/C(=N/OCc3ccc(C(=O)O)cc3)c3ccccc32)nc2ccccc21 ZINC000043079296 JK Annotated Mild Cc1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1-c1nc2ccccc2s1 ZINC000043079619 JK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1-c1nc2ccccc2s1 ZINC000043080687 JK Annotated Anodyne NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3C(F)(F)F)n2)cc1 ZINC000043118602 JK Annotated Anodyne Cc1cc(C)n(-c2ccc(S(=O)(=O)Nc3sccc3-c3nc4ccccc4s3)cc2)n1 ZINC000043119803 JK Annotated Anodyne CC(C)CCn1c(CN2C(=O)/C(=N/OCc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000043119924 JK Annotated Mild C1=C\Cc2ccc[n+](c2)CCCCCCCC/C=C\Cc2ccc[n+](c2)CCCCCCCC/1 ZINC000043119941 JK Annotated Anodyne CCCCCc1c2c(cc(OC)c1C(=O)OC)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 ZINC000043120077 JK Annotated Anodyne O=C(NC(=S)n1ccc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccccc1 ZINC000043120220 JK Annotated Anodyne CCOC(=O)N1CCC[C@@H]1c1cc2c(cc1Oc1ccc(F)cc1)nc(-c1cccnc1)n2C ZINC000043120249 JK Annotated Anodyne CCOC(=O)N1CCC[C@H]1c1cc2c(cc1Oc1ccc(F)cc1)nc(-c1cccnc1)n2C ZINC000043120250 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2cncs2)cc1 ZINC000043120446 JK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000043120739 JK Annotated Anodyne Oc1ccc(CCN2CCc3c([nH]c4ccc(Br)cc34)-c3c2ccnc3Cl)cc1 ZINC000043120813 JK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccccc3)[C@@]23CC/C(=C\c2ccccc2)C3=O)cc1 ZINC000043121374 JK Annotated Mild O=C1CS/C(=N\N=C2[C@H]3CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]3c2ccccc2Cl)N1 ZINC000043121516 JK Annotated Mild O=C1/C(=C/c2ccccc2)CC[C@@]12[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000043121983 JK Annotated Mild N#CSc1c(-c2ccc(Br)cc2)nc2sc(Cc3noc4ccccc34)nn12 ZINC000043122273 JK Annotated Reactive COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCC3)c2ncccc2c1 ZINC000043122382 JK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCC3)c2ncccc2c1 ZINC000043122385 JK Annotated Anodyne O=C(OCCBr)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000043122965 JK Annotated Reactive O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Br)c(Cl)c1 ZINC000043123244 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21 ZINC000043128923 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@@H](C)CCN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21 ZINC000043128926 JK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@H](C)CCN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21 ZINC000043128930 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21 ZINC000043128933 JK Annotated Anodyne COc1cc(N)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000043130473 JK Annotated Reactive C/C(=N\NC(=O)c1ccc(C(=O)O)s1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000043151450 JK Annotated Reactive investigational C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@@H](C)N1 ZINC000043153734 JK Annotated Anodyne COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000043171179 JK Annotated Anodyne CC(C)[C@@H]1CCC(=O)N(C2CCCCC2)CCc2cccc(c2)Oc2ccc3c(c2)CN1C(N)=N3 ZINC000043171639 JK Annotated Anodyne O=C(O)CCC(=O)N1CC=C(c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)CC1 ZINC000043174260 JK Annotated Anodyne Cc1ccnc(NCc2cc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)O)cc3)on2)c1 ZINC000043176801 JK Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000043178819 JK Annotated Anodyne COC(C)(C)CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000043193733 JK Annotated Anodyne [O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1c(Cl)cccc1Cl ZINC000043193740 JK Annotated Anodyne CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OCCO)s2)cc1 ZINC000043197496 JK Annotated Anodyne in-man CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000043197828 JK Annotated Anodyne O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 ZINC000043199517 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000043200657 JK Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000043201079 JK Annotated Anodyne COc1cc(-c2cn(Cc3ccc(-c4nc5ccccc5o4)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000043201901 JK Annotated Anodyne O=C(CCCc1ncc(C(F)(F)F)cc1Cl)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000043202577 JK Annotated Clean Cc1cc(C(F)(F)F)cnc1CCCC(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000043202578 JK Annotated Clean O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1 ZINC000043205374 JK Annotated Anodyne O=c1c2cc(-c3ccc(Cl)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 ZINC000043206836 JK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3c(cc4c(c3O)CCC(C)(C)O4)O2)ccc(O)c1O ZINC000043207924 JK Annotated Clean CCCCN(c1c(OC)nn2c(-c3c(OC)cc(COC)cc3OC)csc12)C1CCOCC1 ZINC000043208140 JK Annotated Anodyne CCCN(c1c(OC)nn2c(-c3c(Cl)cc(COC)cc3OC)csc12)C1CCOCC1 ZINC000043208141 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC[C@@H](C[N+]1(C)CCC(O)CC1)OCC ZINC000043226527 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](C[N+]1(C)CCC(O)CC1)OCC ZINC000043226529 JK Annotated Mild CCCCCCCCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000043226540 JK Annotated Mild CCCCCCCCCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000043226541 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H](C[N+]1(C)CCOCC1)OCC ZINC000043226741 JK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](C[N+]1(C)CCOCC1)OCC ZINC000043226743 JK Annotated Mild C/C(=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C1CC1)C1CC1 ZINC000043241940 JK Annotated Anodyne Cc1cccc(P(CCP(c2cccc(C)c2)c2cccc(C)c2)c2cccc(C)c2)c1 ZINC000043242455 JK Annotated Reactive Fc1ccccc1P(CCP(c1ccccc1F)c1ccccc1F)c1ccccc1F ZINC000043260110 JK Annotated Reactive CCCCCCCCC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000043260617 JK Annotated Mild CCCCCCCCCO/N=C(\CCCCCC)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000043260861 JK Annotated Mild CCCCCCCCSc1nc(Cc2cn(Cc3ccc(C(=O)NCC4CC4)cc3)cn2)c[nH]1 ZINC000043260935 JK Annotated Mild CCCCCCCCCCCCCCOC(=O)O[C@@H](C[N+]12CCC(CC1)CC2)CP(=O)(O)O ZINC000043273794 JK Annotated Mild CCCCCCCCCCCCCCOC(=O)O[C@H](C[N+]12CCC(CC1)CC2)CP(=O)(O)O ZINC000043273796 JK Annotated Mild CCCCCCCOC(=O)N1C(C)=NC(C)=C(C(=O)OCC2CC2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000043274203 JK Annotated Mild CCCCCCCOC(=O)N1C(C)=NC(C)=C(C(=O)OCC2CC2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000043274205 JK Annotated Mild CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3cc4cc(Cl)ccc4[nH]3)cc2OC)C=C1 ZINC000043278930 JK Annotated Mild CCCCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)C=C1 ZINC000043279054 JK Annotated Mild CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3cc4cc(OC)ccc4[nH]3)cc2OC)C=C1 ZINC000043279059 JK Annotated Mild CCCCCCCCCCCCCCCc1nc2c(cc(S(=O)(=O)O)c3ccccc32)o1 ZINC000043279090 JK Annotated Mild CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000043327990 JK Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000043328085 JK Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCc4ccc(Cl)cc4)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 ZINC000043328086 JK Annotated Reactive O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cc(F)cc(F)c1F ZINC000043328140 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 ZINC000043328159 JK Annotated Mild Fc1cccc([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1F ZINC000043335181 JK Annotated Mild Fc1cccc([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1F ZINC000043335183 JK Annotated Mild CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1 ZINC000043335216 JK Annotated Mild CCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O ZINC000043335255 JK Annotated Mild CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 ZINC000043335371 JK Annotated Mild CCCCCCCCC/C=C/S(=O)(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000043335481 JK Annotated Mild CCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C ZINC000043362047 JK Annotated Mild CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 ZINC000043362098 JK Annotated Mild CCCCCCCCCCn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 ZINC000043362158 JK Annotated Mild CCCCCCCCCCn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 ZINC000043362160 JK Annotated Mild CCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 ZINC000043362192 JK Annotated Mild CSC[C@H](OP(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 ZINC000043362226 JK Annotated Reactive CSC[C@@H](OP(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 ZINC000043362228 JK Annotated Reactive Cc1ccc(SCCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 ZINC000043365936 JK Annotated Reactive O=P(OCCSc1ccccc1)(N(CCCl)CCCl)N(CCCl)CCCl ZINC000043366000 JK Annotated Reactive CCCCCCCC[C@H]1O[C@H]1C/C=C\CCCCCC/C(O)=N/S(=O)(=O)c1ccccc1 ZINC000043379706 JK Annotated Mild CCCCCCCC[C@@H]1O[C@H]1C/C=C\CCCCCC/C(O)=N/S(=O)(=O)c1ccccc1 ZINC000043379708 JK Annotated Mild CCCCCCCC[C@H]1O[C@@H]1C/C=C\CCCCCC/C(O)=N/S(=O)(=O)c1ccccc1 ZINC000043379710 JK Annotated Mild CCCCCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCC/C(O)=N/S(=O)(=O)c1ccccc1 ZINC000043379712 JK Annotated Mild C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1 ZINC000043382192 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1 ZINC000043382193 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3cccc4ccccc34)CC2)OO1 ZINC000043393448 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3cccc4ccccc34)CC2)OO1 ZINC000043393451 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3ccc(OC)cc3)CC2)OO1 ZINC000043393531 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3ccc(OC)cc3)CC2)OO1 ZINC000043393534 JK Annotated Reactive CCCCCCCCCC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(C)C)c2c1 ZINC000043393860 JK Annotated Mild CCCCCCCCCCCCCCC[C@H](O)[C@@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043397148 JK Annotated Mild CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043397149 JK Annotated Mild CCCCCCCCCCCCCCC[C@H](O)[C@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043397150 JK Annotated Mild CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043397151 JK Annotated Mild CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043411298 JK Annotated Mild CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043411300 JK Annotated Mild CCCCCCCCCCCCC/C=C\[C@H](O)[C@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043411302 JK Annotated Mild CCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](CO)/N=C(\S)NCCc1ccccc1 ZINC000043411304 JK Annotated Mild CCCCCCCCCCNC(=O)CCC/C=C/c1ccc(C(=O)NN2CCc3ccccc32)cc1 ZINC000043439722 JK Annotated Mild CCCCCCCCCCCCCCCCOC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000043439821 JK Annotated Mild I/C=C/CCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1 ZINC000043442944 JK Annotated Mild O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043443139 JK Annotated Mild I/C=C/CCC[P+](c1ccccc1)(C1CCCCC1)C1CCCCC1 ZINC000043443145 JK Annotated Mild CCCCCCCCCCCCCCCCCCNCCN1CCS[C@@H]1c1ccccc1 ZINC000043469943 JK Annotated Mild CCCCCCCCCCCCCCCCCCNCCN1CCS[C@H]1c1ccccc1 ZINC000043469947 JK Annotated Mild CCCCCCCCCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000043481970 JK Annotated Mild CCCCCCCCCCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000043481973 JK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000043491343 JK Annotated Anodyne C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043510552 JK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000043510554 JK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@H]1OC(=O)C=C[C@@H]1C ZINC000043511309 JK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000043511340 JK Annotated Anodyne Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000043523758 JK Annotated Reactive CCCCCCCCCCCCC(=O)/C=C1\[C@@H](O)[C@@H](C(=O)OC)[C@H](CC)N1Cc1ccccc1 ZINC000043524278 JK Annotated Mild Cc1cc(N)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000043524559 JK Annotated Reactive COc1ccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)cc1N ZINC000043531629 JK Annotated Reactive CCCCCCCC(=O)OC[C@H]1OC(=O)N(c2ccccc2C(=O)OC)[C@@H]1CC1CCCCC1 ZINC000043531731 JK Annotated Mild CCCCCCCC(=O)OC[C@H]1OC(=O)N(c2ccc(OC)cc2)[C@@H]1CCCc1ccccc1 ZINC000043532184 JK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(-c4ccccc4)cc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043532449 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCOc3ccc(-c4ccccc4)cc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043532479 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043532625 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043532716 JK Annotated Reactive FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000043569383 JK Annotated Mild CCCCCCCCNC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000043569822 JK Annotated Mild CCCCCCCCCCCCCCN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043574799 JK Annotated Mild CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000043587150 JK Annotated Anodyne CCCCCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 ZINC000043587308 JK Annotated Mild CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000043587416 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)n1cc(CCCCCC)nn1 ZINC000043589920 JK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043598516 JK Annotated Mild CCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043598519 JK Annotated Mild CC1(C)CCC[C@@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000043598545 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000043598681 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000043598683 JK Annotated Anodyne CCCCCCCN(C(=O)Nc1ccc(OC)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606079 JK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(OC)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606080 JK Annotated Mild CCCCCCCCCCC[C@H](O)C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1 ZINC000043606325 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(C)=O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000043606339 JK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000043617294 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)[C@H](O)[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000043617420 JK Annotated Anodyne CCCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000043620445 JK Annotated Mild CCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043628109 JK Annotated Mild CCCCCCCCCCC[C@@H](O)C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1 ZINC000043640900 JK Annotated Mild O=S1c2ccc(N(CCCl)CCCl)cc2-c2cc(N(CCCl)CCCl)ccc21 ZINC000043649544 JK Annotated Reactive CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)OC[C@H](O)CO)cc1 ZINC000043663910 JK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)OC[C@@H](O)CO)cc1 ZINC000043663911 JK Annotated Mild CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000043664305 JK Annotated Anodyne CCCCCCCN=c1ccn(CCCCCCn2ccc(=NCCCCCCC)cc2)cc1 ZINC000043676850 JK Annotated Mild C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 ZINC000043677106 JK Annotated Reactive C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 ZINC000043677109 JK Annotated Reactive CCCCCCCCCCCCCCCCNc1ccc(C(SCC)SCC)cc1 ZINC000043706012 JK Annotated Mild CCCCCCCN=c1ccn(CCCCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000043706533 JK Annotated Mild c1ccc(COC[C@@H]2CCCCC23OOC2(CCCC[C@@H]2COCc2ccccc2)OO3)cc1 ZINC000043706670 JK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000043721275 JK Annotated Anodyne in-vitro CC1=C(O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000043721314 JK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@]1(C)CC3 ZINC000043721339 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@]1(C)CC3 ZINC000043721342 JK Annotated Anodyne CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3cccs3)cc2OCc2ccccc2)C=C1 ZINC000043815749 JK Annotated Mild CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)C=C1 ZINC000043835365 JK Annotated Mild CCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 ZINC000043845694 JK Annotated Mild CSC[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 ZINC000043871819 JK Annotated Reactive CSC[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccccc1 ZINC000043871822 JK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](O)C[C@@H]5O[C@H](C[C@]12C)[C@]31C[C@]541)C(C)C ZINC000043871982 JK Annotated Mild CCCCCCCCCCNC(=N)N/C(N)=N\OCCCOc1cc(Cl)c(Cl)cc1Cl ZINC000043888674 JK Annotated Mild CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccccc2o1 ZINC000043920232 JK Annotated Mild CCCCCCCN=c1ccn(CCCCCn2ccc(=NCCCCCCC)cc2)cc1 ZINC000043938644 JK Annotated Mild CCCCCCCCCCCCCCCCCCC[C@@H]1Oc2c(C)c(C)c(O)c(C)c2S1 ZINC000043938796 JK Annotated Mild CCCCCCCCCCCCCCCCCCC[C@H]1Oc2c(C)c(C)c(O)c(C)c2S1 ZINC000043938798 JK Annotated Mild C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000043938940 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000043938942 JK Annotated Anodyne CCCCCCC[C@@H]1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000043946861 JK Annotated Mild CCCCCCC[C@H]1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000043946867 JK Annotated Mild C/C(=N/NC(=S)NNC(=S)c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000043947231 JK Annotated Mild C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 ZINC000043967571 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3cc(Cl)cc(Cl)c3)CC2)OO1 ZINC000043967573 JK Annotated Reactive CCCCCCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000043990403 JK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000044018226 JK Annotated Anodyne CCCCCCCCCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 ZINC000044031598 JK Annotated Reactive CCCCCCCCCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 ZINC000044031600 JK Annotated Reactive CCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CC)N1CCc1ccccc1 ZINC000044031762 JK Annotated Mild CCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CC)N1Cc1ccccc1 ZINC000044031775 JK Annotated Mild CCCCCCCC(=O)OC[C@H]1OC(=O)N(c2ccccc2C(=O)OC)[C@@H]1CCCc1ccccc1 ZINC000044032102 JK Annotated Mild Cc1ccc(N)cc1Nc1c2ccccc2nc2c(OCCN(CCCl)CCCl)cccc12 ZINC000044032130 JK Annotated Reactive CCCCCCCCCCCC1=C(C)C(=O)[C@](C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C1=O ZINC000044032240 JK Annotated Mild ClP1(Cl)=N[P@@]2(Cl)=N[P@@](Cl)(=N1)OCCOCCOCCOCCO2 ZINC000044052712 JK Annotated Reactive ClP1(Cl)=N[P@]2(Cl)=N[P@@](Cl)(=N1)OCCOCCOCCOCCO2 ZINC000044052715 JK Annotated Reactive ClP1(Cl)=N[P@@]2(Cl)=N[P@](Cl)(=N1)OCCOCCOCCOCCO2 ZINC000044052718 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccccc3-c3ccccc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000044069378 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000044069448 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC3c4ccccc4-c4ccccc43)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000044069452 JK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCOc3ccccc3-c3ccccc3)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000044069986 JK Annotated Reactive C[C@H]1O[C@H](Cc2ccc3ccccc3n2)[C@@H]2[C@H]1[C@H](C(=O)NCc1ccccc1)C[C@@H]1CCCC[C@H]12 ZINC000044086506 JK Annotated Anodyne C[C@H]1O[C@H](Cc2ccc3ccccc3n2)[C@H]2[C@H]1[C@H](C(=O)NCc1ccccc1)C[C@@H]1CCCC[C@H]12 ZINC000044086509 JK Annotated Anodyne N#Cc1c(C(F)(F)F)cc(-c2ccccc2)c2c1nn1c(C(F)(F)F)cc(C(F)(F)F)nc21 ZINC000044086892 JK Annotated Mild CCCCCCCCCCN(CCCCCCCCCC)S[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O ZINC000044086927 JK Annotated Mild N#Cc1c(-c2ccccc2)cc(C(F)(F)F)c2c1nn1c(C(F)(F)F)cc(C(F)(F)F)nc21 ZINC000044087015 JK Annotated Mild CC(=C/C(C)=C\[C@]1(C)O[C@@H](C)[C@]2(C)O[C@H]12)/C=C(C)\C=C(C)/C=C(\C)[C@@H]1OC(=O)C(C)(C)C(=O)[C@H]1C ZINC000044093772 JK Annotated Anodyne CCCCCCCCCOc1c(C(=O)Nc2nnn[nH]2)oc2c3ccccc3n(-c3ccccc3)c12 ZINC000044118124 JK Annotated Mild CC1=C(CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000044136243 JK Annotated Mild in-man CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(C)=O)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000044138118 JK Annotated Mild C[C@](C#N)(COc1cc(F)c(F)cc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000044138129 JK Annotated Mild C[C@@](C#N)(COc1cc(F)c(F)cc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000044138132 JK Annotated Mild CCCCCCCCCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 ZINC000044138246 JK Annotated Mild C[C@](C#N)(COc1cc(F)c(F)cc1C(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000044146182 JK Annotated Mild C[C@@](C#N)(COc1cc(F)c(F)cc1C(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000044146185 JK Annotated Mild FC(F)(F)C(=C(c1ccccc1)c1ccccc1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000044181552 JK Annotated Mild CCCCCCCCCCC[C@@H]1CCC(SCCC(=O)O)(SCCC(=O)O)c2ccccc21 ZINC000044181738 JK Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2scc(C)c2C)cc1 ZINC000044201682 JK Annotated Clean CC[C@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000044221209 JK Annotated Anodyne CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000044221214 JK Annotated Anodyne CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@@]31OO2 ZINC000044246945 JK Annotated Reactive CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(c4ccccc4)c4ccccc4)[C@]31OO2 ZINC000044246947 JK Annotated Reactive CCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)C=C1 ZINC000044246970 JK Annotated Mild CCCCCCCCCCCCCCOC(=O)O[C@@H](CC(=O)O)C[N+]12CCC(CC1)CC2 ZINC000044246981 JK Annotated Mild CCCCCCCCCCCCCCOC(=O)O[C@H](CC(=O)O)C[N+]12CCC(CC1)CC2 ZINC000044246983 JK Annotated Mild CCCCCCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000044247233 JK Annotated Mild CCCCCCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000044247235 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000044264752 JK Annotated Anodyne CCCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N(CCCCCCC)C1=S ZINC000044265385 JK Annotated Mild CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6N(C)C5)C[C@H]4N3)C[C@H](C)C[C@H]21 ZINC000044280932 JK Annotated Anodyne C[C@](Cl)(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br)C(Br)Br ZINC000044281088 JK Annotated Reactive C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](O)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000044351079 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)O)[C@H]3CC[C@@H]12 ZINC000044351608 JK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 ZINC000044352332 JK Annotated Anodyne CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@]56C=CC(=O)O[C@@H]5O6)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000044358613 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000044359083 JK Annotated Anodyne in-vitro biogenic CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@H]5[C@]6(C)C(=O)O[C@@H]6CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21 ZINC000044360202 JK Annotated Anodyne C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000044361424 JK Annotated Reactive C[C@H]1C(=O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044361844 JK Annotated Anodyne in-vitro biogenic Cc1cc(Sc2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c(Cl)cc1Cl ZINC000044386698 JK Annotated Mild CC(=O)O[C@@H]1C[C@@H](Br)C(C)(C)O[C@]1(C)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000044386899 JK Annotated Reactive CCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000044387022 JK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000044387025 JK Annotated Mild CCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCN(C)CCCN1C ZINC000044387026 JK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCCN(C)CCCN1C ZINC000044387029 JK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)(OC2)[C@H]13 ZINC000044387114 JK Annotated Anodyne C/C(=C\[C@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000044387263 JK Annotated Anodyne C/C(=C\[C@@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000044387266 JK Annotated Anodyne C/C(=C\[C@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000044387269 JK Annotated Anodyne C/C(=C\[C@@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000044387272 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000044387498 JK Annotated Anodyne CCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCNCCCN1C ZINC000044387657 JK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC(=O)NCCCN(C)CCCCNCCCN1C ZINC000044387660 JK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2)(C(=O)C[C@@H]2[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 ZINC000044387743 JK Annotated Anodyne CC(=O)OC/C(=C\CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=CC1=O)CCC=C(C)C ZINC000044388288 JK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000044404081 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@@H]6CC(=O)C(C)(C)[C@@]5(C[C@@H](O)[C@]43C)OO6)[C@H]12 ZINC000044404119 JK Annotated Reactive CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000044404235 JK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)c1nc([C@H](O)CCC)co1 ZINC000044404766 JK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)c1nc([C@H](O)CCC)co1 ZINC000044404770 JK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)c1nc([C@@H](O)CCC)co1 ZINC000044404774 JK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)c1nc([C@@H](O)CCC)co1 ZINC000044404778 JK Annotated Mild COc1cc(O)ccc1[C@@H]1CC(C)=C[C@H]2c3cc4ccc(=O)oc4cc3O[C@H](c3ccc(O)c(O)c3)[C@H]21 ZINC000044405714 JK Annotated Clean CC(C)=C1CCN2[C@H]3C[C@H]4C5=CC[C@H]6C[C@H](N(C)C)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@H](C)C[C@H]12 ZINC000044405841 JK Annotated Anodyne CCCCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044405932 JK Annotated Mild CCCCCCCCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044405936 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H]2O[C@@H]2C(C)(C)[C@@H]1CC3)C(C)C ZINC000044406048 JK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000044406064 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4NCCC4=C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406212 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4NCCC4=C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406217 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4NCC[C@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406333 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4NCC[C@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406337 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@H]4NCC[C@@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406341 JK Annotated Anodyne CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C[C@@H]4NCC[C@@H]4C(C)C)C3=CC[C@H]2[C@H]1OC(C)=O ZINC000044406345 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000044406552 JK Annotated Anodyne C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000044417239 JK Annotated Anodyne CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044417834 JK Annotated Anodyne CC(C)[C@@H]1C[C@H](O)C=C2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)CC[C@@]3(C)O ZINC000044418969 JK Annotated Reactive O=C1C[C@@H](c2noc(-c3ccc(C(F)(F)F)cc3)n2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000044429260 JK Annotated Anodyne O=C1C[C@H](c2noc(-c3ccc(C(F)(F)F)cc3)n2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000044429261 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C(=CC[C@]3(C)[C@@H]2[C@H](O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C(C)(C)[C@H]1O ZINC000044430340 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)CO ZINC000044430606 JK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000044430659 JK Annotated Anodyne CCCCO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000044430758 JK Annotated Anodyne CC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H]([C@H](O)C[C@H]4C)[C@@]3(C)[C@@H](OC(C)=O)C[C@@]12C ZINC000044430801 JK Annotated Anodyne C=CCCC/C=C/C=C\CCCCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 ZINC000044431136 JK Annotated Reactive CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@@](C)(O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000044431207 JK Annotated Anodyne C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](OO)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000044431435 JK Annotated Reactive C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](OO)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000044431438 JK Annotated Reactive in-vitro biogenic CCCCC1(CCCC)OOC(CCCC)(CCCC)OOC(CCCC)(CCCC)OO1 ZINC000044431589 JK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]56CC[C@H](OC5=O)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]12 ZINC000044431715 JK Annotated Mild O=S(=O)(O)Oc1c2ccccc2c2ccc3c(OS(=O)(=O)O)c4ccccc4c4ccc1c2c34 ZINC000004551892 JK Annotated Bother CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)cc1 ZINC000004635572 JK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2c(F)cccc2F)cc1 ZINC000004635577 JK Annotated Anodyne CC(=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000004726906 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760283 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760284 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](c1cccs1)N(C)C2=O ZINC000004760285 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](c1cccs1)N(C)C2=O ZINC000004760286 JK Annotated Anodyne COc1ccccc1-n1cc(-c2ccc(C)cc2)nc1S(=O)(=O)C/C(O)=N/c1cccc(Cl)c1 ZINC000004765689 JK Annotated Anodyne COc1ccccc1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792730 JK Annotated Mild COc1ccccc1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004792735 JK Annotated Mild COc1ccccc1C/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792738 JK Annotated Mild COc1ccc(CC/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1OC ZINC000004792873 JK Annotated Mild COc1ccc(CC/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1OC ZINC000004792877 JK Annotated Mild COc1ccc(CC/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1OC ZINC000004792879 JK Annotated Mild COc1ccc(CC/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1OC ZINC000004792882 JK Annotated Mild C[C@H](CCc1ccccc1)/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793596 JK Annotated Mild C[C@H](CCc1ccccc1)/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793601 JK Annotated Mild COc1cccc(C/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004793898 JK Annotated Mild COc1cccc(C/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004793901 JK Annotated Mild COc1cccc(C/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004793903 JK Annotated Mild COc1cccc(C/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004793907 JK Annotated Mild CCN(CCC/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12)c1cccc(C)c1 ZINC000004794364 JK Annotated Mild CCN(CCC/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12)c1cccc(C)c1 ZINC000004794365 JK Annotated Mild CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3c(OC)ccc(Cl)c23)ccc1O ZINC000004830964 JK Annotated Clean CC/C(=C\C=C\C(O)(C(F)(F)F)C(F)(F)F)c1cccc(CCc2ccc(CO)c(CO)c2)c1 ZINC000004847300 JK Annotated Anodyne CC/C(=C\C=C\C(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(CO)c(CO)c2)c1 ZINC000004847301 JK Annotated Anodyne CO[C@@H](C/C=C\C=C\CC/C=C/C[C@H](C)/C=C/C(=C\C(=O)O)CC(=O)O)/C(C)=C\C=C(/C)C(=O)O ZINC000004994994 JK Annotated Anodyne CO[C@H](C/C=C\C=C\CC/C=C/C[C@@H](C)/C=C/C(=C\C(=O)O)CC(=O)O)/C(C)=C\C=C(/C)C(=O)O ZINC000004994998 JK Annotated Anodyne FC(F)(F)c1cc(Nc2ccc(Oc3ccccc3)cc2)c2cc(-c3ccncc3)ccc2n1 ZINC000045166946 JK Annotated Anodyne COc1cccc(-c2cccc(CNC3CCN(C[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)c2)c1 ZINC000045167110 JK Annotated Anodyne COc1cccc(-c2cccc(CNC3CCN(C[C@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)c2)c1 ZINC000045167112 JK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccc(S(C)(=O)=O)cc5)c4)s3)nc12 ZINC000045167137 JK Annotated Anodyne COc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045167161 JK Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(Cc3cccs3)C(=O)C3CCN(C)CC3)cc2)nc1 ZINC000045167237 JK Annotated Anodyne Fc1cccc(Nc2nc(NCc3ccc4ccsc4c3)nc(Nc3cccc(F)c3)n2)c1 ZINC000045167402 JK Annotated Anodyne C=C(C)[C@H]1CC=C(CN2CCC[C@H](n3ccc4cc(NC(=O)c5ccco5)ccc43)CC2)CC1 ZINC000045167795 JK Annotated Mild C=C(C)[C@@H]1CC=C(CN2CCC[C@H](n3ccc4cc(NC(=O)c5ccco5)ccc43)CC2)CC1 ZINC000045167797 JK Annotated Mild FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(CNC[C@@H]5CCCO5)c4)c3)nc2c1 ZINC000045167854 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(CNC[C@H]5CCCO5)c4)c3)nc2c1 ZINC000045167856 JK Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1 ZINC000045167862 JK Annotated Anodyne CC(C)CCN(Cc1cncn1Cc1cccc(Cl)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000045167880 JK Annotated Anodyne CC1(C)CN(CCC2CCC(NC(=O)/C=C/c3ccc(F)cc3F)CC2)Cc2ccc(C#N)cc21 ZINC000045167942 JK Annotated Mild c1ccc(-n2ncc(CNCc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)n2)cc1 ZINC000045167996 JK Annotated Anodyne CCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000045168094 JK Annotated Mild CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168426 JK Annotated Anodyne CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168428 JK Annotated Anodyne CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168430 JK Annotated Anodyne CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168432 JK Annotated Anodyne O=C(NC1CCCCCC1)[C@@H]1CCCN1C(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045168460 JK Annotated Anodyne O=C1CCCN1CCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045168509 JK Annotated Anodyne CN(C)CCN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)ccnc3c2)o1 ZINC000045168742 JK Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)CCCOCc3ccccc3)cc2)nc1 ZINC000045169035 JK Annotated Anodyne c1ccc(CN2CCCN(c3ccc4c(c3)CCN(Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)cc1 ZINC000045169135 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCCc5ccncc5)c4)s3)nc2c1 ZINC000045169141 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCCc5cccnc5)c4)s3)nc2c1 ZINC000045169147 JK Annotated Anodyne CCC[C@@H](CNCc1cccc(OC(F)(F)C(F)F)c1)CNc1cc(=O)c2ccccc2[nH]1 ZINC000045169189 JK Annotated Anodyne CCC[C@H](CNCc1cccc(OC(F)(F)C(F)F)c1)CNc1cc(=O)c2ccccc2[nH]1 ZINC000045169192 JK Annotated Anodyne c1ccc(Cn2nnnc2-c2cccc(Nc3ccnc4cc(-c5nccs5)ccc34)c2)cc1 ZINC000045186566 JK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(C[C@@H]6CCCN(C)C6)CC5)c4)s3)[nH]c12 ZINC000045186601 JK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCN(C[C@H]6CCCN(C)C6)CC5)c4)s3)[nH]c12 ZINC000045186605 JK Annotated Anodyne COc1c(CN2CCCC2)cccc1-c1cc2c(-c3ccc(C(=O)O)c(C(C)C)c3)ccnc2[nH]1 ZINC000045186686 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)c(=O)c1Br ZINC000045186748 JK Annotated Anodyne Cc1cccc(-n2c(Nc3ccc(C)c(Cl)c3)nc3ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc32)c1 ZINC000045187629 JK Annotated Anodyne Cc1cccc(-n2c(Nc3ccc(C)c(Cl)c3)nc3ccc(S(=O)(=O)N[C@H](C)C(C)C)cc32)c1 ZINC000045187632 JK Annotated Anodyne CC(=O)Nc1ccc(CN(Cc2cccc(OC(C)(C)C)c2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045187673 JK Annotated Anodyne CCN(CC)CCOc1ccc(NC(=O)c2oc3ccccc3c2/C=C/c2ccccc2)cc1 ZINC000045187688 JK Annotated Anodyne Cc1ccc(Nc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000045187738 JK Annotated Mild C[C@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@H](C)N1C ZINC000045187762 JK Annotated Anodyne C[C@@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@@H](C)N1C ZINC000045187765 JK Annotated Anodyne CC(C)CCN(Cc1cncn1Cc1ccccc1F)C(=O)c1cncc(-c2ccccc2)c1 ZINC000045187991 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3cccc(SC)c3)n([C@@H](C)C(C)C)c2c1 ZINC000045188124 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3cccc(SC)c3)n([C@@H](C)C(C)C)c2c1 ZINC000045188127 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3cccc(SC)c3)n([C@H](C)C(C)C)c2c1 ZINC000045188130 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3cccc(SC)c3)n([C@H](C)C(C)C)c2c1 ZINC000045188133 JK Annotated Anodyne Fc1ccc2nc(-c3cccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)c3)[nH]c2c1 ZINC000045188225 JK Annotated Anodyne N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)/C=C/c3c[nH]c4ccc(F)cc34)CC1)CC2 ZINC000045188246 JK Annotated Mild Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045188802 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(OCCn3cnc(Cl)c3Cl)cc2)c(=O)c1Br ZINC000045188871 JK Annotated Anodyne C[C@@H](N/C(=N\c1ccccc1Cl)Nc1ccc(C#N)cc1O)c1ccc(Br)cc1 ZINC000045188901 JK Annotated Mild O=c1c2ccc(Sc3ccccn3)cc2n(-c2ccccc2)c2cc(Sc3ccccn3)ccc12 ZINC000045188907 JK Annotated Bother Cc1ccccc1C1CCN(C2CCC(NC(=O)c3cc(-c4ccccc4)oc3C)CC2)CC1 ZINC000045188990 JK Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045189619 JK Annotated Anodyne Cc1[nH]c2ccccc2c1C1=CCN(CCN2CCCc3c(Br)cccc3C2=O)CC1 ZINC000045189733 JK Annotated Anodyne Oc1ccccc1CNCc1ccc(-c2cnc(N3CCC[C@@H](c4ccccc4)C3)nc2)cc1 ZINC000045189736 JK Annotated Clean Oc1ccccc1CNCc1ccc(-c2cnc(N3CCC[C@H](c4ccccc4)C3)nc2)cc1 ZINC000045189739 JK Annotated Clean O=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)c1cncc(-c2cccs2)c1 ZINC000045189745 JK Annotated Anodyne Cc1c(C(=O)N[C@@H](C)c2ccccc2)c2cc(O)c(Br)cc2n1C1CCCCC1 ZINC000045189829 JK Annotated Anodyne COC(=O)c1cccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045189880 JK Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)c3)nc12 ZINC000045190137 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5c(C)cccc5[nH]4)c3)c2)c1 ZINC000045190188 JK Annotated Anodyne O=C1OC2(CN1C[C@@H]1CCN(Cc3ccc(-n4ccnc4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190277 JK Annotated Anodyne O=C1OC2(CN1C[C@H]1CCN(Cc3ccc(-n4ccnc4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190279 JK Annotated Anodyne CCCCCC[C@@H](C)c1cc(OCCN(CC)CC)c2c(c1)OC(C)(C)C=C2c1ccncc1 ZINC000045190638 JK Annotated Anodyne CCCCCC[C@H](C)c1cc(OCCN(CC)CC)c2c(c1)OC(C)(C)C=C2c1ccncc1 ZINC000045190641 JK Annotated Anodyne CC(=O)Oc1c(Cl)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000045190659 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c(=O)c1Br ZINC000045191135 JK Annotated Anodyne CSc1ccc2ccccc2c1CCNCCCCNCCc1c(SC)ccc2ccccc12 ZINC000045191217 JK Annotated Anodyne CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 ZINC000045191222 JK Annotated Anodyne O=C1CCCN1CCCNCc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045191595 JK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4ccc(CN5CCN(C6CCN(C)CC6)CC5)cc4)s3)[nH]c12 ZINC000045191626 JK Annotated Anodyne Cn1cc(Br)c(-c2cccc(Nc3ccnc4cc(-c5nccs5)ccc34)c2)n1 ZINC000045191684 JK Annotated Anodyne N#Cc1ccc(Sc2nnc(-c3ccccc3Cl)n2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000045191827 JK Annotated Mild CCOc1ccc(-c2cc3nc(C4CCNCC4)c(C(=O)Nc4ccc(C)cc4Cl)cn3n2)cc1 ZINC000045191977 JK Annotated Anodyne Cc1cc(N(C)[C@@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192033 JK Annotated Anodyne Cc1cc(N(C)[C@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192036 JK Annotated Anodyne Cc1ccc2[nH]cc(/C=C/C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)c2c1 ZINC000045192077 JK Annotated Mild CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@@H](C)C(C)C)c2c1 ZINC000045192089 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@@H](C)C(C)C)c2c1 ZINC000045192091 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@H](C)C(C)C)c2c1 ZINC000045192094 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@H](C)C(C)C)c2c1 ZINC000045192097 JK Annotated Anodyne CC(=O)Oc1c(C(=O)C2CCC(C(C)(C)C)CC2)c(OC(C)=O)c2ccccc2c1OC(C)=O ZINC000045192288 JK Annotated Anodyne C[C@@]1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000045192299 JK Annotated Anodyne C[C@]1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000045192302 JK Annotated Anodyne C[C@@]1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000045192305 JK Annotated Anodyne C[C@]1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000045192307 JK Annotated Anodyne Cc1cc(-c2ccc(CNCCc3cccs3)cc2)ccc1S(=O)(=O)NCc1ccccc1 ZINC000045192355 JK Annotated Anodyne CC(C)C[C@H](Nc1ccc(C#N)c2ccccc12)C(=O)NC(C)(C)C12CC3CC(CC(C3)C1)C2 ZINC000045192463 JK Annotated Mild CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(Br)cc2F)n1 ZINC000045192513 JK Annotated Anodyne Cc1cc(NC[C@@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192605 JK Annotated Anodyne Cc1cc(NC[C@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192608 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)c3)nc2c1 ZINC000045192640 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNC[C@H]5CCCO5)cc4)c3)nc2c1 ZINC000045192645 JK Annotated Anodyne CCC(CC)[C@@H](CC(=O)NC(C)(C)CCc1ccccc1OC)Nc1ccc(C#N)c2ccccc12 ZINC000045192694 JK Annotated Mild CCC(CC)[C@H](CC(=O)NC(C)(C)CCc1ccccc1OC)Nc1ccc(C#N)c2ccccc12 ZINC000045192697 JK Annotated Mild O=[N+]([O-])c1ccc(N/C(=N\c2ccccc2Br)N[C@H]2CCCc3ccccc32)c(O)c1 ZINC000045192728 JK Annotated Mild O=[N+]([O-])c1ccc(N/C(=N\c2ccccc2Br)N[C@@H]2CCCc3ccccc32)c(O)c1 ZINC000045192731 JK Annotated Mild OC(/C=C/c1ccc(F)cc1)=N/C1CCC(CCN2CCc3ccc(-c4cnccn4)cc3CC2)CC1 ZINC000045192763 JK Annotated Mild CC[C@@H](COCc1ccc(Cl)cc1)N(C)CCN(C)[C@@H](CC)COCc1ccc(Cl)cc1 ZINC000045192904 JK Annotated Anodyne CC[C@@H](COCc1ccc(Cl)cc1)N(C)CCN(C)[C@H](CC)COCc1ccc(Cl)cc1 ZINC000045192907 JK Annotated Anodyne COc1cc(NC(=O)N2CCc3ccc(OCCN(C(C)C)C(C)C)cc32)cc(C(F)(F)F)c1 ZINC000045193260 JK Annotated Anodyne CC(=O)Nc1ccc(OCCN(CC(C)C)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 ZINC000045193551 JK Annotated Mild COc1cc(C/N=C(/Nc2ccc(-c3ccccc3)cc2)Nc2ccc(C#N)cc2O)cc(OC)c1 ZINC000045193650 JK Annotated Mild Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045193699 JK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)NCc5cccc(F)c5)c4)s3)[nH]c12 ZINC000045193753 JK Annotated Anodyne COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)c1 ZINC000045193761 JK Annotated Anodyne O=C1CCCN1CCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045193796 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNC[C@@H]5CCCO5)c4)s3)nc2c1 ZINC000045193875 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNC[C@H]5CCCO5)c4)s3)nc2c1 ZINC000045193878 JK Annotated Anodyne COc1cc2c(cc1CCNCCCCNCCc1cc3c(cc1OC)CCCC3)CCCC2 ZINC000045193916 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)cc3)c2)c1 ZINC000045194022 JK Annotated Anodyne N#Cc1ccc(N[C@@H](CC2CCCCC2)C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc12 ZINC000045194062 JK Annotated Mild CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@H](C)C(C)(C)C)c2c1 ZINC000045194155 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@H](C)C(C)(C)C)c2c1 ZINC000045194158 JK Annotated Anodyne CC[C@H]1CN(Cc2ccccc2Br)CC[C@H]1CCCc1ccnc2ccc(O)cc12 ZINC000045194616 JK Annotated Anodyne CC(C)(CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)Nc1ccc(C#N)c2ccccc12 ZINC000045194743 JK Annotated Mild CSc1cccc(Nc2nc3ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc3n2[C@H](C)C(C)(C)C)c1 ZINC000045194951 JK Annotated Anodyne CSc1cccc(Nc2nc3ccc(S(=O)(=O)N[C@H](C)C(C)C)cc3n2[C@H](C)C(C)(C)C)c1 ZINC000045194953 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)c(=O)c1Cl ZINC000045195243 JK Annotated Anodyne CN(C)CCNCc1nc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)cs1 ZINC000045195560 JK Annotated Anodyne CCC[C@@H](C)C(=O)N1CCO[C@@](COCc2cccc(C(F)(F)F)c2)(c2ccc(Cl)cc2)C1 ZINC000045195739 JK Annotated Anodyne CCC[C@H](C)C(=O)N1CCO[C@@](COCc2cccc(C(F)(F)F)c2)(c2ccc(Cl)cc2)C1 ZINC000045195742 JK Annotated Anodyne CCC[C@@H](C)C(=O)N1CCO[C@](COCc2cccc(C(F)(F)F)c2)(c2ccc(Cl)cc2)C1 ZINC000045195745 JK Annotated Anodyne CCC[C@H](C)C(=O)N1CCO[C@](COCc2cccc(C(F)(F)F)c2)(c2ccc(Cl)cc2)C1 ZINC000045195748 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(OCCOc3ccc(C(F)(F)F)cn3)cc2)c(=O)c1Br ZINC000045195984 JK Annotated Anodyne CCCCCCNC(=O)[C@@H]1Cc2c([nH]c3ccc(C)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045196083 JK Annotated Anodyne CCCCCCNC(=O)[C@H]1Cc2c([nH]c3ccc(C)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045196086 JK Annotated Anodyne CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1 ZINC000045196197 JK Annotated Anodyne CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1 ZINC000045196200 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)c1I ZINC000045196249 JK Annotated Anodyne Cn1cnc(CCNC(=O)c2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000045196297 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2)c(=O)c1Br ZINC000045201016 JK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)s3)nc12 ZINC000045201040 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 ZINC000045201042 JK Annotated Anodyne CNC(=O)Cc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)cc1 ZINC000045201055 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(OCc3ccccc3C(F)(F)F)nc2)c(=O)c1Br ZINC000045201140 JK Annotated Anodyne Cc1cc(NC(=O)c2coc3cc(F)c(N4C[C@@H](C)N(C)[C@H](C)C4)cc23)cnc1-c1ccc(C#N)cc1 ZINC000045201232 JK Annotated Mild Cc1cc(NC(=O)c2coc3cc(F)c(N4C[C@H](C)N(C)[C@@H](C)C4)cc23)cnc1-c1ccc(C#N)cc1 ZINC000045201234 JK Annotated Mild CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000045201309 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@@H]3CCCC[C@@H]3C)c2c1 ZINC000045201656 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@@H]3CCCC[C@@H]3C)c2c1 ZINC000045201658 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@H]3CCCC[C@@H]3C)c2c1 ZINC000045201660 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@H]3CCCC[C@@H]3C)c2c1 ZINC000045201662 JK Annotated Anodyne CC(=O)N(Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1c(C)cccc1C ZINC000045201899 JK Annotated Anodyne c1ccc(-n2ncc(CNCc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)n2)cc1 ZINC000045202081 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(CNC3CCCCC3)ccc12 ZINC000045202283 JK Annotated Clean CN1CCC[C@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202521 JK Annotated Anodyne CN1CCC[C@@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202523 JK Annotated Anodyne N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)Nc3ccnc4ccccc34)CC1)C2 ZINC000045202584 JK Annotated Mild CN1CCN([C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)c2ccccc2-c2ccsc2)CC1 ZINC000045202641 JK Annotated Anodyne CN1CCN([C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)c2ccccc2-c2ccsc2)CC1 ZINC000045202643 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccccc5)c4)s3)nc2c1 ZINC000045202700 JK Annotated Anodyne N#Cc1ccc2c(c1)CCN(CCCn1c(-c3ccc4ccccc4c3)nc3ccncc31)CC2 ZINC000045202716 JK Annotated Mild CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)cc12 ZINC000045202813 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(CNCCc5ccncc5)c4)c3)nc2c1 ZINC000045202941 JK Annotated Anodyne CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2cnc3ccccc3c2)CC1 ZINC000045202953 JK Annotated Anodyne CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2cnc3ccccc3c2)CC1 ZINC000045202955 JK Annotated Anodyne C[C@]1(CCN2CCC(c3c[nH]c4cnccc34)CC2)CCCc2c(Br)cccc2C1=O ZINC000045203054 JK Annotated Anodyne C[C@@]1(CCN2CCC(c3c[nH]c4cnccc34)CC2)CCCc2c(Br)cccc2C1=O ZINC000045203056 JK Annotated Anodyne CCN(CCN(C)C)Cc1ccc(-c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1 ZINC000045203068 JK Annotated Anodyne Cc1ccn2c(N(Cc3ccccc3)C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1 ZINC000045209645 JK Annotated Anodyne Cc1cc2ccc(/C=C/C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)cc2[nH]1 ZINC000045209833 JK Annotated Mild Cc1[nH]c(C)c(Cc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000045209969 JK Annotated Anodyne CC/C(=C(\CC)c1ccc(O)c(CNC2CCCCC2)c1)c1ccc(O)c(CNC2CCCCC2)c1 ZINC000045209999 JK Annotated Clean Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(OCCN(C)C)cc(C(F)(F)F)c1)CC2 ZINC000045210150 JK Annotated Anodyne CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cc(CN4CCN(C)CC4)ccc3[nH]2)co1 ZINC000045210540 JK Annotated Anodyne FC(F)(F)c1ccc(/C=C/c2cncnc2Nc2ccc3nc(Cc4ccccc4)[nH]c3c2)cc1 ZINC000045210714 JK Annotated Anodyne Nc1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000045210718 JK Annotated Anodyne N#Cc1ccc(N/C(=N\c2cccc(Cl)c2Cl)NCc2ccc(Cl)cc2Cl)c(O)c1 ZINC000045210901 JK Annotated Mild Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)s3)nc12 ZINC000045211099 JK Annotated Anodyne CN(C)CCN(C)Cc1cccc(-c2ccc3c(Nc4ccc(F)cc4Cl)ccnc3c2)c1 ZINC000045211111 JK Annotated Anodyne CCN(CC)CCN(CCN(CC)CC)c1ccc2c(c1)Sc1c(Cl)ccc(Cl)c1S2 ZINC000045211146 JK Annotated Anodyne COc1cc2c(cc1N(C(C)C)S(=O)(=O)c1sc3ccc(Cl)cc3c1C)CCNCC2 ZINC000045211170 JK Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CC5CCC(CC5)C4)c3)c2c1 ZINC000045211203 JK Annotated Clean CC(C)(C)[C@@H](Nc1ccc(C#N)c2ccccc12)C(=O)NC1(Cc2ccc(O)cc2)CCCC1 ZINC000045211253 JK Annotated Mild OCCN1CCN(Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045211330 JK Annotated Anodyne c1ccc2c(c1)CN(Cc1cc3ccccc3[nH]1)CC1(CCN(Cc3c[nH]c4cnccc34)CC1)O2 ZINC000045211399 JK Annotated Anodyne O=S(=O)(c1cccc(Br)c1)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045226668 JK Annotated Anodyne CC(C)CCNC(=O)[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045226709 JK Annotated Anodyne CC(C)CCNC(=O)[C@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045226712 JK Annotated Anodyne CCCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(N(C)C)cc1 ZINC000045226826 JK Annotated Mild Cc1ccccc1C1CCN(C2CCC(NC(=O)c3ccc(-c4cccs4)s3)CC2)CC1 ZINC000045226872 JK Annotated Anodyne CC1(C)CN(CCC2CCC(NC(=O)/C=C/c3ccccc3F)CC2)Cc2ccc(C#N)cc21 ZINC000045226997 JK Annotated Mild Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)N(C)[C@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227130 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)N(C)[C@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227133 JK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)N(C)[C@@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227136 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNCCc5ccncc5)cc4)c3)nc2c1 ZINC000045227229 JK Annotated Anodyne Nc1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000045227284 JK Annotated Anodyne C=CCOC(=O)N1CC[C@@H](CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)C1 ZINC000045227391 JK Annotated Mild C=CCOC(=O)N1CC[C@H](CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)C1 ZINC000045227394 JK Annotated Mild N#Cc1ccc(N/C(=N/[C@@H]2CCCc3ccccc32)Nc2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000045227430 JK Annotated Mild N#Cc1ccc(N/C(=N/[C@H]2CCCc3ccccc32)Nc2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000045227434 JK Annotated Mild CC(C)CCN(Cc1cncn1Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1C#N ZINC000045227597 JK Annotated Mild CC(C)CCn1c(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1Cl ZINC000045227793 JK Annotated Bother CN(C)CC[C@@H]1CCCc2ccc(NC(=O)Nc3ccc(-c4ccncc4)c4ccccc34)cc21 ZINC000045228062 JK Annotated Anodyne CN(C)CC[C@H]1CCCc2ccc(NC(=O)Nc3ccc(-c4ccncc4)c4ccccc34)cc21 ZINC000045228065 JK Annotated Anodyne CN(C)CCNCc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)o1 ZINC000045228085 JK Annotated Anodyne COCCNCc1ncsc1-c1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ccnc2c1 ZINC000045228166 JK Annotated Anodyne CCN(CC)CCCN(C(=O)Nc1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000045228334 JK Annotated Mild CCN(CC)CCCN(C(=O)Nc1c(Cl)cncc1Cl)c1nc(-c2ccc(F)cc2)cs1 ZINC000045228362 JK Annotated Anodyne O=C(Nc1ccc2c(ccn2[C@@H]2CCCN(Cc3cc(F)cc(F)c3F)CC2)c1)c1ccco1 ZINC000045228375 JK Annotated Anodyne O=C(Nc1ccc2c(ccn2[C@H]2CCCN(Cc3cc(F)cc(F)c3F)CC2)c1)c1ccco1 ZINC000045228378 JK Annotated Anodyne O=S(=O)(c1c(Cl)cccc1Cl)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045228398 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=C(\Nc1ccc(C#N)cc1O)Nc1ccccc1Br ZINC000045228416 JK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(\Nc1ccc(C#N)cc1O)Nc1ccccc1Br ZINC000045228419 JK Annotated Mild FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)s3)nc2c1 ZINC000045228490 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNC[C@H]5CCCO5)cc4)s3)nc2c1 ZINC000045228492 JK Annotated Anodyne COc1ccccc1NC(=O)O[C@H](COc1ccc(N)cc1)CN1CC=C(c2ccccc2)CC1 ZINC000045228513 JK Annotated Clean COc1ccccc1NC(=O)O[C@@H](COc1ccc(N)cc1)CN1CC=C(c2ccccc2)CC1 ZINC000045228517 JK Annotated Clean CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)/C=C/c3ccccc3C)cc2)nc1 ZINC000045228681 JK Annotated Anodyne CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045228812 JK Annotated Anodyne C[C@@H](CC1CCCCC1)NCc1cccc(NS(=O)(=O)c2ccc(O)c(-c3ccno3)c2)c1 ZINC000045228882 JK Annotated Anodyne Cc1ccccc1C1CCN(C2CCC(NC(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)CC1 ZINC000045229119 JK Annotated Anodyne COc1ccc(Cn2cncc2CN(CCC(C)C)C(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000045229307 JK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(OCc3cccc(C(F)(F)F)c3)nc2)c(=O)c1Br ZINC000045229396 JK Annotated Anodyne NCc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045229438 JK Annotated Anodyne c1cc(-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)cc(-c2nc3ccccc3[nH]2)c1 ZINC000045229605 JK Annotated Anodyne CC(=O)c1cccc(Nc2nc3c(C#N)c(OCc4cc(Cl)cc(Cl)c4)ccc3[nH]2)c1 ZINC000045229958 JK Annotated Mild O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cccc(-c3ccccc3F)c2)CC1 ZINC000045230079 JK Annotated Anodyne O=c1ccc2ccc(F)c3c2n1C[C@@H]3CN1CCC(NCc2cccc(-c3ccccc3F)c2)CC1 ZINC000045230082 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045230189 JK Annotated Anodyne COc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(N5CCCC5=O)cc4C)cc3)CC2)c1 ZINC000045230295 JK Annotated Anodyne CCc1c(CCNCCCCCCNCCc2ccc(Br)cc2)ccc(OC)c1OC ZINC000045230418 JK Annotated Anodyne CC(=O)Oc1c(Br)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000045230867 JK Annotated Anodyne C=CCOC(=O)N1CC[C@H](CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1 ZINC000045231095 JK Annotated Mild C=CCOC(=O)N1CC[C@@H](CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1 ZINC000045231098 JK Annotated Mild CN(C)C(=O)c1ccc(CN(Cc2ccc(OC(C)(C)C)cc2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045231138 JK Annotated Anodyne CCOc1ccc(Nc2c(C)c(NC3CCC(NCc4ccccc4)CC3)c(C#N)c3ccnn23)cc1 ZINC000045244875 JK Annotated Mild Cc1cc(C)cc(Oc2c(COCc3ccc(F)cc3)c(C)[nH]c(=O)c2I)c1 ZINC000045245070 JK Annotated Anodyne COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccc(C)cc2)c1 ZINC000045245314 JK Annotated Anodyne COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Br)c(C)c3)o2)c1C ZINC000045245369 JK Annotated Anodyne O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000045245533 JK Annotated Anodyne O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cccc(C(F)(F)F)c2O)on1 ZINC000045245803 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSCC(C)C)c(C)[nH]c(=O)c2I)c1 ZINC000045245807 JK Annotated Anodyne CC(C)(O)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21 ZINC000045245828 JK Annotated Bother CCOC(=O)c1cc(C(C)(C)Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045245892 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(COCc3cccs3)c(C)[nH]c(=O)c2I)c1 ZINC000045253251 JK Annotated Anodyne Brc1cc2c(cc1[C@@H]1Nc3cc(I)ccc3[C@@H]3C=CC[C@@H]31)OCO2 ZINC000045253282 JK Annotated Clean Cc1cc(C)cc(Oc2c(CSCc3cccs3)c(C)[nH]c(=O)c2I)c1 ZINC000045253326 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSC3CCCC3)c(C)[nH]c(=O)c2I)c1 ZINC000045253346 JK Annotated Anodyne Fc1ccc(-c2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1F ZINC000045253458 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSCc3nccs3)c(C)[nH]c(=O)c2I)c1 ZINC000045253459 JK Annotated Anodyne Clc1ccc([C@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)c(Cl)c1 ZINC000045253578 JK Annotated Anodyne Clc1ccc([C@@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)c(Cl)c1 ZINC000045253579 JK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=N[C@H](c2ccc(Cl)cc2)CO1 ZINC000045253661 JK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=N[C@@H](c2ccc(Cl)cc2)CO1 ZINC000045253665 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(COCc3ccccc3)c(C)[nH]c(=O)c2I)c1 ZINC000045254022 JK Annotated Anodyne Cc1ccc(Cl)c(Oc2nc3c(c(C)nc4sc5c(c43)CCCC5)c(=O)n2-c2ccccc2)c1 ZINC000045254374 JK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000045254447 JK Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1I)OCO3)N2 ZINC000045254458 JK Annotated Clean COc1ccc(-c2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc3c2[nH]c2ccccc23)cc1 ZINC000045254495 JK Annotated Reactive Cc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N3CCNC(C)(C)C3)nc2c1 ZINC000045254503 JK Annotated Anodyne Cc1ccc(NC(=O)c2c(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(C#N)c3n2CCC3)cc1 ZINC000045254705 JK Annotated Mild Cc1ccc(NC(=O)c2c(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(C#N)c3n2CCC3)cc1 ZINC000045254707 JK Annotated Mild c1ccc(CN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000045255062 JK Annotated Anodyne c1ccc(CN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045255063 JK Annotated Anodyne NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccc3[nH]ccc3c2)c1 ZINC000045255207 JK Annotated Anodyne CCN1[C@H]2CC[C@@H]1CC(c1ccnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000045255241 JK Annotated Anodyne COc1ccc(/C(=N/Cc2ccc(F)cc2F)c2ccc(=O)n(Cc3ccc(F)cc3F)c2)c(O)c1 ZINC000045257046 JK Annotated Mild COc1cc(N2C(N)=C(C#N)[C@@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045257462 JK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045257467 JK Annotated Reactive c1ccc(CCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000045257513 JK Annotated Anodyne c1ccc(CCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045257518 JK Annotated Anodyne O=c1[nH]c2cccc(OCC3CCN(CC[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045257997 JK Annotated Anodyne O=c1[nH]c2cccc(OCC3CCN(CC[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045258002 JK Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1CC(c1ccnc3c(-c4ccc(C)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000045258171 JK Annotated Anodyne CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4ccc(C#N)cc4)nccc23)ncn1 ZINC000045258217 JK Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc1)C2 ZINC000045258247 JK Annotated Bother O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccc(C(F)(F)F)cc2O)on1 ZINC000045258350 JK Annotated Anodyne COc1ccc(-c2nc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc3c2[nH]c2ccccc23)cc1 ZINC000045258760 JK Annotated Reactive N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(C5=NCCN5)ccc34)ccc2Cl)c1 ZINC000045258885 JK Annotated Mild CNc1ncc2cc(-c3c(C)ccc4c(Nc5cc(C(C)(C)C)nn5C)nccc34)ccc2n1 ZINC000045259155 JK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@](C)(/C=C/C[C@@H](C)CCCC(C)C)O2 ZINC000045260257 JK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@](C)(/C=C/C[C@H](C)CCCC(C)C)O2 ZINC000045260259 JK Annotated Anodyne Cc1ccnc(NC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 ZINC000045260306 JK Annotated Mild Cc1cc(I)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1 ZINC000045260498 JK Annotated Mild O=C1C[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(-c3ccc(O)cc3)cc2)C1 ZINC000045260518 JK Annotated Clean N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000045260550 JK Annotated Anodyne COc1cc(N2C(N)=C(C#N)[C@@H](/C=C/c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045260598 JK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](/C=C/c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045260602 JK Annotated Reactive O=C(NNc1nc(-c2ccccc2)nc2c1[C@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 ZINC000045260625 JK Annotated Reactive O=C(NNc1nc(-c2ccccc2)nc2c1[C@@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 ZINC000045260628 JK Annotated Reactive COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000045260645 JK Annotated Reactive O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045260696 JK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045260699 JK Annotated Anodyne Cc1nc2sc3c(c2c2nc(Oc4ccc(F)cc4Cl)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045260758 JK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(CNc4ccccc4)cc3)cc1)C2 ZINC000045261068 JK Annotated Bother O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@H](c2ccc(Cl)cc2)C1 ZINC000045261594 JK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@@H](c2ccc(Cl)cc2)C1 ZINC000045261597 JK Annotated Anodyne COc1ccc(/C(=N/Cc2ccc(F)c(F)c2)c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)c(O)c1 ZINC000045261632 JK Annotated Mild O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(/C=C/c2ccccc2)c1 ZINC000045261952 JK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)[C@@H]2C)n1 ZINC000045262008 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)[C@@H]2C)n1 ZINC000045262011 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(C)cc3)N[C@@H](c3ccc(C)cc3)[C@@H]2C)n1 ZINC000045262014 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(C)cc3)N[C@@H](c3ccc(C)cc3)[C@@H]2C)n1 ZINC000045262017 JK Annotated Mild O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 ZINC000045262031 JK Annotated Clean O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(CCc2cccc(O)c2)cc1 ZINC000045283351 JK Annotated Anodyne CC(C)=C/C=C/[C@@]1(C)CCc2c([C@@H]3CC(=O)c4c(cc(O)c(CC=C(C)C)c4O)O3)ccc(O)c2O1 ZINC000045283434 JK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(Sc2nc3ccccc3s2)cc1O ZINC000045283478 JK Annotated Anodyne O=CC1=C(SCc2ccc3ccccc3c2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 ZINC000045283641 JK Annotated Reactive CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)[C@@H]2C)n1 ZINC000045283856 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)[C@@H]2C)n1 ZINC000045283858 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@@H]2C)n1 ZINC000045283860 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@@H]2C)n1 ZINC000045283863 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]2CC)n1 ZINC000045283874 JK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2CC)n1 ZINC000045283878 JK Annotated Mild O=C1C[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(-c3ccc(CO)cc3)cc2)C1 ZINC000045283923 JK Annotated Clean COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045284142 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@@]2(C1)[C@@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000045284171 JK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@]2(O)C[C@@]3(C)CCC[C@]3(C)C(=O)[C@@H]2CC(C)(C)O)c1 ZINC000045284175 JK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cncnc3)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045284245 JK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cncnc3)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045284248 JK Annotated Anodyne CCCC[C@H](CNCc1ccccc1)N1CCN(CC2CCCCCC2)[C@H](Cc2ccc(O)cc2)C1 ZINC000045284376 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N5CCCCC5)ccc34)ccc2Cl)c1 ZINC000045284593 JK Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)c(Cl)c3)cc1)C2 ZINC000045284632 JK Annotated Bother CC(C)(C)OC(=O)n1ccc2c(CCOc3cccc(-c4cccc(-c5nnn[nH]5)c4)c3)cccc21 ZINC000045284705 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1F ZINC000045284845 JK Annotated Clean O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2cccc(O)c2)c1 ZINC000045285138 JK Annotated Anodyne COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1NC1CCCCC1 ZINC000045285424 JK Annotated Anodyne Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000045285548 JK Annotated Mild S=c1[nH]nc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n1-c1ccccc1 ZINC000045285550 JK Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)cc(-c2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)nc1O ZINC000045285641 JK Annotated Mild C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000045285875 JK Annotated Anodyne Cc1cc(C)cc(Sc2c(CSC(C)C)c(C)[nH]c(=O)c2I)c1 ZINC000045285881 JK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)Nc2c(C#N)c3n(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1 ZINC000045285893 JK Annotated Mild CC(C)Cc1ccc([C@H](C)C(=O)Nc2c(C#N)c3n(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1 ZINC000045285894 JK Annotated Mild CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](CCC3CCCCC3)(CC(C)C)C2=O)cc1 ZINC000045285986 JK Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@@](CCC3CCCCC3)(CC(C)C)C2=O)cc1 ZINC000045285988 JK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000045286025 JK Annotated Reactive C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON(c1ccccc1)[C@@H](c1ccccc1)[C@H]2c1cccs1 ZINC000045286167 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON(c1ccccc1)[C@@H](c1ccccc1)[C@@H]2c1cccs1 ZINC000045286169 JK Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(OC)cc1 ZINC000045286207 JK Annotated Anodyne COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2ncc(C)c(C)n2)c(OC)c1OC ZINC000045286222 JK Annotated Anodyne N=C1C(=S)N(c2ccc(Br)cc2)C(=S)N1c1ccc(Br)cc1 ZINC000045286256 JK Annotated Anodyne COc1ccc(-c2cc(-c3c(O)ccc4c(-c5ccccc5)cc(=O)oc34)nc(O)c2C#N)cc1 ZINC000045286292 JK Annotated Mild Cc1ccc2ccc(C(=O)NCC3=C[C@@H]4Oc5ccccc5C(=O)C4=CN3c3ncccc3C)cc2c1 ZINC000045286373 JK Annotated Mild CN(C)c1ccc(-c2cc(-c3c(O)ccc4c(-c5ccccc5)cc(=O)oc34)nc(O)c2C#N)cc1 ZINC000045286446 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N5CCOCC5)ccc34)ccc2Cl)c1 ZINC000045286854 JK Annotated Mild COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(OC)cc3)n2)cc1 ZINC000045286904 JK Annotated Reactive COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045286930 JK Annotated Anodyne Cc1ccc([C@@H]2C(c3ccc(Cl)cc3)=NO[C@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000045286954 JK Annotated Anodyne CC1(C)C(=O)C(O)=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C[C@@H]2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C ZINC000045287059 JK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2nc3ccccc3s2)c1O ZINC000045287103 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(-n5ccnc5)ccc34)ccc2Cl)c1 ZINC000045287175 JK Annotated Mild N=C1C(=S)N(c2ccc(I)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 ZINC000045287185 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1cccc2ccccc12 ZINC000045287529 JK Annotated Anodyne CN(C)c1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)noc2n1 ZINC000045287633 JK Annotated Mild C[C@@H]1c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045287700 JK Annotated Anodyne C[C@H]1c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045287701 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cnc1Cl ZINC000045287804 JK Annotated Clean C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1cccc2ccccc12 ZINC000045287920 JK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2ccccc2CO)c1O ZINC000045287922 JK Annotated Anodyne COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000045288032 JK Annotated Reactive Cc1cc(C)cc(Sc2c(CSCC(C)C)c(C)[nH]c(=O)c2I)c1 ZINC000045288310 JK Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1ccc(-c2ccc(O)cc2)cc1 ZINC000045288501 JK Annotated Anodyne CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000045288622 JK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000045288628 JK Annotated Mild Cc1cc(C)cc(Sc2c(CN(C)Cc3ccco3)c(C)[nH]c(=O)c2I)c1 ZINC000045288694 JK Annotated Anodyne CCCOc1c(C(=O)NC2=CCCCCC2)sc(C(=O)NC2=CCCCCC2)c1OCCC ZINC000045288706 JK Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(OC)cc1 ZINC000045288882 JK Annotated Anodyne Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc2ccccc2c1 ZINC000045289006 JK Annotated Mild CCCC/C=N/NC(=O)c1sc(C(=O)N/N=C/CCCC)c(OCCC)c1OCCC ZINC000045289194 JK Annotated Reactive Cc1cc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c(C)c1 ZINC000045289222 JK Annotated Anodyne CCc1ccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cc1C(=O)O ZINC000045289461 JK Annotated Clean COc1ccc(-c2nc(-c3ccccc3)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045289484 JK Annotated Anodyne O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(/C=C/c2ccccc2)cc1 ZINC000045289850 JK Annotated Anodyne COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2Sc2ncccn2)c(OC)c1OC ZINC000045289908 JK Annotated Anodyne Cc1cc(C)cc(Sc2c(CSCc3ccco3)c(C)[nH]c(=O)c2I)c1 ZINC000045290014 JK Annotated Anodyne COc1cc(OC)c(OC)cc1/C=C/C(=O)n1cc(/C=C/C(=O)OC(C)(C)C)c2ccccc21 ZINC000045290105 JK Annotated Anodyne CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)nccc34)ccc2n1 ZINC000045290146 JK Annotated Anodyne c1ccc(CCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000045290456 JK Annotated Anodyne c1ccc(CCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045290459 JK Annotated Anodyne Cc1ccc(-n2c(Cc3csc4nc(-c5ccc(Br)cc5)cn34)n[nH]c2=S)cc1 ZINC000045290887 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSC[C@@H]3CCCO3)c(C)[nH]c(=O)c2I)c1 ZINC000045290905 JK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSC[C@H]3CCCO3)c(C)[nH]c(=O)c2I)c1 ZINC000045290908 JK Annotated Anodyne O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(CCc2ccc(O)cc2)c1 ZINC000045290991 JK Annotated Anodyne CC(C)=C/C=C/[C@]1(C)CCc2c([C@@H]3CC(=O)c4c(cc(O)c(CC=C(C)C)c4O)O3)ccc(O)c2O1 ZINC000045291104 JK Annotated Anodyne O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1F ZINC000045291161 JK Annotated Clean O=C(/C=C/c1cccs1)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000045291182 JK Annotated Mild CC(=O)N1[C@H]2CC[C@@H]1CC(c1ccnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn13)C2 ZINC000045291547 JK Annotated Anodyne COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2ncccn2)c(OC)c1OC ZINC000045291707 JK Annotated Anodyne COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045298557 JK Annotated Anodyne O=c1cc(-c2ccccc2)nc2n(-c3ccccc3)nc(-c3ccc4c(n3)-c3ccccc3CCC4)n12 ZINC000045298572 JK Annotated Anodyne N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl ZINC000045298626 JK Annotated Anodyne COc1ccc(-c2nc(-c3cccnc3)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045299004 JK Annotated Anodyne Clc1ccc(-c2nc(N3CCN(c4ccccn4)CC3)nc3c2CCc2ccccc2-3)cc1 ZINC000045299073 JK Annotated Anodyne CC(C)c1ccc(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)cc1 ZINC000045299230 JK Annotated Anodyne CCC(CC)[C@@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000045299363 JK Annotated Anodyne CCC(CC)[C@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000045299366 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc1-3 ZINC000045299497 JK Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccnn1-c1ccccc1 ZINC000045299571 JK Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccnn1-c1ccccc1 ZINC000045299573 JK Annotated Anodyne COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2ncc(C)c(C)n2)c(OC)c1OC ZINC000045300125 JK Annotated Anodyne CC(C)(C)OC(=O)/C=C1/c2ccccc2-c2c(NC(=O)/C=C/c3ccc4c(c3)OCO4)cccc21 ZINC000045300250 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1ccccc1 ZINC000045300620 JK Annotated Anodyne COc1ccc(CN([C@@H]2CCc3ccccc3C2)[C@@H]2CC(=O)c3ccccc32)c(OC)c1OC ZINC000045300718 JK Annotated Anodyne COc1ccc(CN([C@H]2CCc3ccccc3C2)[C@@H]2CC(=O)c3ccccc32)c(OC)c1OC ZINC000045300720 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccccc1Cl ZINC000045300942 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON(c1ccccc1)[C@@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000045301044 JK Annotated Anodyne CCN1/C(=C/c2sc3ccc(-c4ccccc4)cc3[n+]2CCO)C=Cc2cc(OC)ccc21 ZINC000045301507 JK Annotated Clean O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cccc(C(F)(F)F)n2)on1 ZINC000045301538 JK Annotated Anodyne CC1(C)CC(NCCCCCCCOc2ccc(OCc3ccccc3)cc2)CC(C)(C)N1 ZINC000045301790 JK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCCCC(c3ccc(C(F)(F)F)cc3)=N2)c(Cl)cc1Cl ZINC000045301922 JK Annotated Anodyne O[C@@]1(c2ccccc2)CCN(Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)ncc34)c2)C1 ZINC000045301948 JK Annotated Anodyne O[C@]1(c2ccccc2)CCN(Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)ncc34)c2)C1 ZINC000045301951 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)c1 ZINC000045302033 JK Annotated Anodyne C[C@H](c1ccccc1)N1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccs1 ZINC000045302130 JK Annotated Anodyne CCc1ccc(C(=O)Oc2ccccc2-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045302134 JK Annotated Anodyne CSc1cccc(Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3n2[C@@H](C)C(C)C)c1 ZINC000045302203 JK Annotated Anodyne CSc1cccc(Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3n2[C@H](C)C(C)C)c1 ZINC000045302204 JK Annotated Anodyne Cc1ccc(F)c(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OC3=O)CC2)c1Cl ZINC000045302293 JK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)s3)nc12 ZINC000045302359 JK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)s3)nc12 ZINC000045302360 JK Annotated Anodyne Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[C@H](O)CN(C)Cc1ccccc1 ZINC000045302392 JK Annotated Anodyne Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[C@@H](O)CN(C)Cc1ccccc1 ZINC000045302393 JK Annotated Anodyne OCCN1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045302483 JK Annotated Anodyne CCN(CC)Cc1cccc(-c2cc3c(-c4ccc(C(=O)O)c(C(C)C)c4)ccnc3[nH]2)c1OC ZINC000045302484 JK Annotated Anodyne COC(C)(C)CNCc1cc2cc3c(cc2n(Cc2cccc(C(F)(F)F)c2)c1=O)CCC3 ZINC000045302501 JK Annotated Anodyne O=C1CCCN1CCCNCc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045302510 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3cccs3)[C@@]3(CCCN([C@H](C)c4ccccc4)C3)ON2c2ccccc2)cc1 ZINC000045302535 JK Annotated Anodyne Cc1nc2sc3c(c2c2nc(Oc4cc(F)cc(F)c4)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045302541 JK Annotated Anodyne O=c1n(CC2CCCCC2)c2cc(Cl)cc(OCCNc3ccncc3)c2n1CC1CCCCC1 ZINC000045302564 JK Annotated Anodyne O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2F)C1)c1ccco1 ZINC000045302566 JK Annotated Anodyne O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2F)C1)c1ccco1 ZINC000045302567 JK Annotated Anodyne O=C(c1ccc(F)c2ccccc12)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045302599 JK Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000045302656 JK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000045302657 JK Annotated Mild COc1ccc(-c2cccc(CNC3CCN(C[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)c2)cc1 ZINC000045302706 JK Annotated Anodyne COc1ccc(-c2cccc(CNC3CCN(C[C@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)c2)cc1 ZINC000045302707 JK Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000045302781 JK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000045302782 JK Annotated Mild COc1c(Br)cc(Br)cc1-c1ccc(CN2CC3CCC2CC3)[nH]1 ZINC000045302812 JK Annotated Anodyne COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)c1 ZINC000045302856 JK Annotated Anodyne Nc1cccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000045302955 JK Annotated Anodyne N#Cc1ccc(N2CCN(Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)s4)cc3)CC2)nc1 ZINC000045303030 JK Annotated Mild CN1CC=C(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)cc23)CC1 ZINC000045303126 JK Annotated Anodyne COc1cccc(CN2Cc3ccccc3OC3(CCN(Cc4c[nH]c5cnccc45)CC3)C2)c1 ZINC000045303186 JK Annotated Anodyne CCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000045303241 JK Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)N5CCCC[C@@H]5CN5CC[C@H](O)C5)c4)c3)nc12 ZINC000045303287 JK Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)N5CCCC[C@H]5CN5CC[C@H](O)C5)c4)c3)nc12 ZINC000045303288 JK Annotated Anodyne Cc1ccc(OCCN(Cc2ccc(C(=O)NO)cc2)c2ncc(-c3ccc(C)cc3)s2)cc1 ZINC000045315314 JK Annotated Anodyne O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1Cl ZINC000045315594 JK Annotated Clean O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NCc1ccccc1C(F)(F)F ZINC000045315785 JK Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccco5)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045315880 JK Annotated Anodyne Cc1ccc(-c2cnc(N(CCCCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1 ZINC000045316237 JK Annotated Anodyne COc1ccc(/C(=N/Cc2ccc(C)cc2)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c(O)c1 ZINC000045317398 JK Annotated Mild Sc1nc2nc(-c3ccccc3)nc3c2c(nn3-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)[nH]1 ZINC000045317545 JK Annotated Anodyne CCCC[C@H](Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1cc(C(=O)OCC)no1 ZINC000045318020 JK Annotated Anodyne CCCC[C@@H](Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1cc(C(=O)OCC)no1 ZINC000045318024 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)CCN(CCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045318136 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)CCN(CCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000045318140 JK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3Cl)cc1)C2 ZINC000045318386 JK Annotated Bother Nc1n[nH]c(/N=N/c2c(O)ccc3ccccc23)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000045318495 JK Annotated Clean CC(C)N1CCN(c2c(-c3nnc(S)n3-c3ccccc3)cnc3c(C(F)(F)F)cccc23)CC1 ZINC000045319153 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N5CCNCC5)ccc34)ccc2Cl)c1 ZINC000045319164 JK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2cccc(C(=O)O)c2)c1O ZINC000045319182 JK Annotated Anodyne Cc1cc(-c2ccc(S(=O)(=O)Nc3cc4c(cc3OC(C)C)CCN(C)CC4)cc2)ccc1Cl ZINC000045319233 JK Annotated Anodyne Cc1ccc(OCCCN(Cc2ccc(C(=O)NO)cc2)c2ncc(-c3ccc(C)cc3)s2)cc1 ZINC000045319977 JK Annotated Anodyne O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 ZINC000045320119 JK Annotated Anodyne FC(F)(F)c1cccc2c(NC3CCCCC3)c(-c3nnc(S)n3-c3ccccc3)cnc12 ZINC000045320279 JK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)Nc2c(C#N)c3n(c2C(=O)Nc2ccccc2)CCC3)cc1 ZINC000045320351 JK Annotated Mild CC(C)Cc1ccc([C@H](C)C(=O)Nc2c(C#N)c3n(c2C(=O)Nc2ccccc2)CCC3)cc1 ZINC000045320355 JK Annotated Mild N#CCCCOc1ccc2c(c1)c1cc(Cl)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 ZINC000045320485 JK Annotated Mild Cc1cc(C)cc(Sc2c(CN3CCCCC3)c(C)[nH]c(=O)c2I)c1 ZINC000045321231 JK Annotated Anodyne CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2C)S/C1=N\c1sc2ccccc2[n+]1C ZINC000045321464 JK Annotated Mild Cc1[nH]c(C)c(-c2ccc(OCCCCSc3ccncc3)cc2)c(=O)c1Br ZINC000045321517 JK Annotated Anodyne Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 ZINC000045321678 JK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 ZINC000045321681 JK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 ZINC000045321684 JK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@@H](Cl)C(=O)N4c4ccc(Cl)cc4)cc3)c2c1 ZINC000045321687 JK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2cc(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1 ZINC000045321770 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 ZINC000045321778 JK Annotated Anodyne C[C@@]1(CCc2ccccc2)N/C(=N/c2ccc(Cl)cc2)N=C(N)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000045321833 JK Annotated Mild C[C@@]1(CCc2ccccc2)N/C(=N/c2ccc(Cl)cc2)N=C(N)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000045321836 JK Annotated Mild COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccc(Cl)cc2)c1 ZINC000045321912 JK Annotated Anodyne CC(=O)Nc1nc(C(=O)Nc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)cs1 ZINC000045322003 JK Annotated Anodyne Nc1ccnc(N2CCC(CCOc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)CC2)c1 ZINC000045322019 JK Annotated Anodyne N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(OCCn4cccc4)ccc3c2[nH]1 ZINC000045322207 JK Annotated Mild O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045322317 JK Annotated Anodyne Cc1cc(CNC(=O)c2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)on1 ZINC000045322446 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3cccs3)nc2c1 ZINC000045322563 JK Annotated Anodyne CN(C)CCCN1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1 ZINC000045322763 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1Cl)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045322822 JK Annotated Anodyne CN1CCC(NCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1 ZINC000045323102 JK Annotated Anodyne CN(C)CCN(C)Cc1ccc(-c2ccc3c(Nc4ccc(F)cc4Cl)ccnc3c2)o1 ZINC000045323280 JK Annotated Anodyne NC(=S)Nc1cccc(OCCCCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=S)c1 ZINC000045323457 JK Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)C[C@H]5NC(=O)c6ccccc65)c4)c3)nc12 ZINC000045323566 JK Annotated Anodyne Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)C[C@@H]5NC(=O)c6ccccc65)c4)c3)[nH]c12 ZINC000045323569 JK Annotated Anodyne CN(C)CCN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)o1 ZINC000045323848 JK Annotated Anodyne CCCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000045323902 JK Annotated Mild CN(C)CCNCc1ncsc1-c1ccc2c(Nc3ccc(F)cc3Cl)ccnc2c1 ZINC000045323933 JK Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045323990 JK Annotated Anodyne N#Cc1ccc(N/C(=N\CCc2c[nH]c3ccccc23)Nc2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000045323999 JK Annotated Mild Cc1ccc(-c2cnc(N(CCOc3ccccc3)Cc3ccc(C(=O)NO)cc3)s2)cc1 ZINC000045324385 JK Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)c3)nc12 ZINC000045324501 JK Annotated Anodyne Cc1ccc(Cn2cnc3cc(C(=O)Nc4ccc(-c5cccc(CN(C)C)c5)cc4)ccc3c2=O)o1 ZINC000045324573 JK Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2 ZINC000045324580 JK Annotated Anodyne C[C@@H](CC(=O)NCC1(c2ccc(F)cc2Cl)CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000045324608 JK Annotated Anodyne C[C@H](CC(=O)NCC1(c2ccc(F)cc2Cl)CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000045324611 JK Annotated Anodyne O=[N+]([O-])c1cccc(-n2nc(NCc3ccc(Cl)cc3)nc2-c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000045325188 JK Annotated Bother COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(C)c(Br)c3)o2)c1C ZINC000045334406 JK Annotated Anodyne N#Cc1ccc2c(c1)CN(C1CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)CC1)CCC2 ZINC000045334514 JK Annotated Mild O=[N+]([O-])c1ccc(C2=NN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCCC2)cc1 ZINC000045334534 JK Annotated Bother COc1ccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c[nH]c4cccc(Br)c34)CC2)cc1 ZINC000045334625 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c[nH]c4cccc(Br)c34)CC2)cc1 ZINC000045334627 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c[nH]c4cccc(Br)c34)CC2)cc1 ZINC000045334629 JK Annotated Anodyne COc1ccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c[nH]c4cccc(Br)c34)CC2)cc1 ZINC000045334631 JK Annotated Anodyne OC1(Cc2ccccc2)CCN(Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)ncc34)c2)CC1 ZINC000045334637 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n(C3CCCCC3)c2c1 ZINC000045334722 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n(C3CCCCC3)c2c1 ZINC000045334724 JK Annotated Anodyne COc1ccccc1-c1cccc(CNC2CCN(C[C@@H]3Cn4c(=O)ccc5ccc(F)c3c54)CC2)c1 ZINC000045334744 JK Annotated Anodyne COc1ccccc1-c1cccc(CNC2CCN(C[C@H]3Cn4c(=O)ccc5ccc(F)c3c54)CC2)c1 ZINC000045334746 JK Annotated Anodyne Cc1ccc(Oc2nc3c(c(C)nc4sc5c(c43)CCCC5)c(=O)n2-c2ccccc2)cc1 ZINC000045334816 JK Annotated Anodyne Cc1nc2sc3c(c2c2nc(Oc4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045335032 JK Annotated Bother CN(C)C(=O)c1ccc(CN(Cc2cccc(OC(C)(C)C)c2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045335121 JK Annotated Anodyne COc1cccc(Oc2nc3c(c(C)nc4sc5c(c43)CCCC5)c(=O)n2-c2ccccc2)c1 ZINC000045335259 JK Annotated Anodyne Cc1cccc(Oc2nc3c(c(C)nc4sc5c(c43)CCCC5)c(=O)n2-c2ccccc2)c1 ZINC000045335278 JK Annotated Anodyne O=C1OC2(CN1CC1CCN(Cc3ccc(O)c(Cl)c3)CC1)c1ccccc1-c1ccccc12 ZINC000045335339 JK Annotated Anodyne O=C1OC2(CN1C[C@@H]1CCN(Cc3ccc(O)cc3Cl)C1)c1ccccc1-c1ccccc12 ZINC000045335347 JK Annotated Anodyne O=C1OC2(CN1C[C@H]1CCN(Cc3ccc(O)cc3Cl)C1)c1ccccc1-c1ccccc12 ZINC000045335350 JK Annotated Anodyne O=C1N/C(=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)S/C1=C\c1ccccc1Cl ZINC000045335836 JK Annotated Mild OC(/C=C/c1cccc(F)c1)=N\C1CCC(CCN2CCc3ccc(-c4cnccn4)cc3CC2)CC1 ZINC000045335867 JK Annotated Mild Cc1cccc(Cl)c1CNc1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1 ZINC000045336036 JK Annotated Anodyne O=S(=O)(NCC[C@@H]1CC[C@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045336613 JK Annotated Anodyne O=S(=O)(NCC[C@H]1CC[C@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045336616 JK Annotated Anodyne CC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045336683 JK Annotated Anodyne CCCCCCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045336752 JK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5c(C)cccc5[nH]4)c3)cc2)c1 ZINC000045336812 JK Annotated Anodyne O=S(=O)([C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000045336818 JK Annotated Anodyne CCC[C@@H](C)NC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Br)cc1 ZINC000045337043 JK Annotated Anodyne CCC[C@H](C)NC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Br)cc1 ZINC000045337045 JK Annotated Anodyne Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1cc(Br)c(C)c(Br)c1 ZINC000045337169 JK Annotated Anodyne COc1c(C(C)(C)C)cc(C(=O)Cn2c(NCCCO)nc3cc(C)c(C)cc32)cc1C(C)(C)C ZINC000045337184 JK Annotated Anodyne N#Cc1c(Cl)c(Cl)c(C(C(=O)c2ccc(F)cc2)=C2NCCCCN2)c(C#N)c1Cl ZINC000045337245 JK Annotated Mild O=C(c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1)N1CCCCO1 ZINC000045337434 JK Annotated Anodyne O=C(CSC(=S)N(Cc1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1Cl ZINC000045337465 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O ZINC000045337514 JK Annotated Clean CC[C@H](C)CCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O ZINC000045337516 JK Annotated Clean CCc1c(CCNCCCCCCN[C@@H](C)Cc2ccc3c(c2CC)OCO3)ccc(OC)c1OC ZINC000045337568 JK Annotated Anodyne CCc1c(CCNCCCCCCN[C@H](C)Cc2ccc3c(c2CC)OCO3)ccc(OC)c1OC ZINC000045337570 JK Annotated Anodyne COCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1 ZINC000045337588 JK Annotated Anodyne CCCCN(Cc1cc(Br)cc(Br)c1O)C(=S)Nc1ccccc1 ZINC000045337604 JK Annotated Clean O=S(=O)(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045337868 JK Annotated Anodyne COc1ccc2c(c1)[nH]c1c(C)c(OS(=O)(=O)c3cccc4c(N(C)C)cccc34)ccc12 ZINC000045337916 JK Annotated Anodyne COc1ccc2c(c1)[nH]c1cc(OS(=O)(=O)c3cccc4c(N(C)C)cccc34)c(C)cc12 ZINC000045338169 JK Annotated Anodyne CCCS(=O)(=O)NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045338239 JK Annotated Anodyne CCc1noc(-c2cc(COc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)on2)n1 ZINC000045338647 JK Annotated Anodyne COc1ccc(N2CCN(c3nc(N)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000045338793 JK Annotated Clean Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(CCN6CCCCC6)CC5)c4)s3)nc12 ZINC000045338859 JK Annotated Anodyne O=C1[C@@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 ZINC000045338902 JK Annotated Anodyne O=S(=O)(NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045338987 JK Annotated Anodyne COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=S)n2Cc2ccco2)c1 ZINC000045339089 JK Annotated Bother Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 ZINC000045339729 JK Annotated Reactive Cc1c(C)c2c(c(Cc3cn(CCCCC[C@@H]4CCSS4)nn3)c1O)CCC(C)(C)O2 ZINC000045347764 JK Annotated Reactive Cc1c(C)c2c(c(Cc3cn(CCCCC[C@H]4CCSS4)nn3)c1O)CCC(C)(C)O2 ZINC000045347767 JK Annotated Reactive CC(C)CCC(CCC(C)C)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045347817 JK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000045348362 JK Annotated Reactive Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(F)cc1 ZINC000045348813 JK Annotated Reactive Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000045349298 JK Annotated Reactive Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 ZINC000045349461 JK Annotated Reactive C=CCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC=C)cc2)cc1 ZINC000045350075 JK Annotated Mild Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1F ZINC000045350234 JK Annotated Anodyne Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000045350267 JK Annotated Reactive COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ncn4c(=O)c5ccccc5nc34)n2)cc1 ZINC000045350420 JK Annotated Bother COc1cc(OC)c(C(=O)/C=C/c2ccccc2Br)c(O)c1CN1CCCCC1 ZINC000045350725 JK Annotated Mild CCCCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045351266 JK Annotated Anodyne CC1=C([C@@H]2CCCN(C)C2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1 ZINC000045351409 JK Annotated Anodyne CC1=C([C@H]2CCCN(C)C2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1 ZINC000045351413 JK Annotated Anodyne CCC[C@@H](C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1 ZINC000045351572 JK Annotated Anodyne CCC[C@H](C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1 ZINC000045351575 JK Annotated Anodyne Cc1ccc2nc(/N=C3\C(=O)N(CN4CCCCC4)c4cccc(Br)c43)sc2c1 ZINC000045351695 JK Annotated Mild COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000045353209 JK Annotated Reactive Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 ZINC000045353411 JK Annotated Reactive O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 ZINC000045353415 JK Annotated Reactive CC(C)CCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC(C)C)cc2)cc1 ZINC000045354054 JK Annotated Anodyne C=CCc1c(O)cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc1O ZINC000045355543 JK Annotated Mild CC(C)CC[C@H](c1ncc(C(C)C)cn1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045355755 JK Annotated Anodyne CC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045357026 JK Annotated Anodyne Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(F)cc1 ZINC000045357158 JK Annotated Reactive Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nnn[nH]4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 ZINC000045357451 JK Annotated Anodyne C1#Cc2ccc[n+](c2)CCCCCCCCCCC[n+]2cccc(c2)C#CCCCCCCCC1 ZINC000045357615 JK Annotated Mild COc1cc(/C=C/c2cc(O)c(CCC(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045358247 JK Annotated Anodyne O=C1C=C2C[C@]3(O)COc4cc(OCc5ccccc5)ccc4C3=C2C=C1OCc1ccccc1 ZINC000045358407 JK Annotated Mild O=C1C=C2C[C@@]3(O)COc4cc(OCc5ccccc5)ccc4C3=C2C=C1OCc1ccccc1 ZINC000045358409 JK Annotated Mild COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1 ZINC000045358477 JK Annotated Anodyne COc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1 ZINC000045358479 JK Annotated Anodyne CCCc1c(O)cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc1O ZINC000045358538 JK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](c2ccc(C(F)(F)F)nc2)C2CC2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000045364071 JK Annotated Anodyne Brc1cccc(CNC[C@H]2CCC[C@@H](CNCc3cccc(Br)c3)C2)c1 ZINC000045364187 JK Annotated Anodyne Brc1cccc(CNC[C@H]2CCC[C@H](CNCc3cccc(Br)c3)C2)c1 ZINC000045364190 JK Annotated Anodyne Brc1cccc(CNC[C@@H]2CCC[C@@H](CNCc3cccc(Br)c3)C2)c1 ZINC000045364194 JK Annotated Anodyne CC(C)NC(=N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)NC(C)C)cc4s3)s2)cc1 ZINC000045364413 JK Annotated Anodyne COc1ccc(-c2csc(-c3ccc(C)nc3)n2)c2cc(C(=O)Nc3ccc(F)cc3)oc12 ZINC000045364630 JK Annotated Anodyne CC(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1 ZINC000045364994 JK Annotated Anodyne FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(N5CCCCC5)c4)nn23)cc1OCC1CC1 ZINC000045365252 JK Annotated Anodyne CC(C)N(/C(Cc1ccccn1)=N\P(=O)(Oc1ccccc1)Oc1ccccc1)C(C)C ZINC000045365372 JK Annotated Mild CC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045365655 JK Annotated Anodyne CCCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000045366335 JK Annotated Anodyne COc1cc(CCc2cc(O)c(CCC(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045366592 JK Annotated Anodyne Brc1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(Br)cc3)C2)cc1 ZINC000045366742 JK Annotated Anodyne Brc1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(Br)cc3)C2)cc1 ZINC000045366746 JK Annotated Anodyne Brc1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(Br)cc3)C2)cc1 ZINC000045366749 JK Annotated Anodyne COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(Br)c2)c1 ZINC000045367096 JK Annotated Anodyne CC(=O)Nn1c(Cl)cnc1NCc1ccc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F ZINC000045367135 JK Annotated Anodyne N#CCCNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045367201 JK Annotated Mild O=c1[nH]c2cccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2[nH]1 ZINC000045367755 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O ZINC000045367775 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O ZINC000045367779 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O ZINC000045367781 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O ZINC000045367784 JK Annotated Anodyne CC1(C)CCCC(C)(C)N1CCCCCCCCCCCCCN1C(C)(C)CCCC1(C)C ZINC000045367857 JK Annotated Anodyne O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 ZINC000045367953 JK Annotated Anodyne CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045368641 JK Annotated Anodyne CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045368644 JK Annotated Anodyne O=C1N/C(=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000045368685 JK Annotated Mild CCN(CC)C(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045368907 JK Annotated Anodyne CC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045368915 JK Annotated Anodyne O=C1N/C(=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000045369597 JK Annotated Mild Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3cccc(Br)c3)c12 ZINC000045369682 JK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccccc3Br)c12 ZINC000045369687 JK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccoc3)nc3ccccn23)CC1 ZINC000045370058 JK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCN(C)C)c3)c(-c3ccccc3)c12 ZINC000045370964 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc4c(c3)OCO4)nc2c1 ZINC000045371320 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000045371529 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000045371536 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000045371541 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000045371545 JK Annotated Anodyne Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3Cl)C2)cc1F ZINC000045372482 JK Annotated Anodyne CCOC(=O)C(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)(CCCc1nccn1C)C(=O)OCC ZINC000045372999 JK Annotated Anodyne COc1ccc(C(=O)Oc2ccccc2-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045373437 JK Annotated Anodyne CCC(CC)C(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCc2ccccn2)C1 ZINC000045373481 JK Annotated Anodyne CN(CCCCCCCCCCCN(C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000045373833 JK Annotated Anodyne Cc1cc[n+](CCCc2ccc(-c3ccc(CCC[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C ZINC000045374657 JK Annotated Anodyne Cc1c(S(=O)(=O)Nc2ccc3c(c2)C([C@H]2CCN(C)C2)=CC3)sc2ccc(Cl)cc12 ZINC000045384205 JK Annotated Anodyne c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)s3)sc2cc1C1=NCCN1 ZINC000045384344 JK Annotated Anodyne N=C(N)c1cc2c(O[C@H](COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1 ZINC000045385444 JK Annotated Anodyne N=C(N)c1cc2c(O[C@@H](COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1 ZINC000045385448 JK Annotated Anodyne CCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000045385773 JK Annotated Anodyne O=C(Nc1ccccc1-n1cc(Br)cn1)c1cccc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2 ZINC000045385953 JK Annotated Bother COc1cc(CCc2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045386366 JK Annotated Anodyne COC(=O)[C@@H](Cc1c(-c2ccc(C(F)(F)F)cc2)sc2ccccc12)NCc1ccccc1 ZINC000045386442 JK Annotated Anodyne COC(=O)[C@H](Cc1c(-c2ccc(C(F)(F)F)cc2)sc2ccccc12)NCc1ccccc1 ZINC000045386446 JK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccccc1)C(F)(F)F ZINC000045386452 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O ZINC000045386527 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O ZINC000045386531 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O ZINC000045386533 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O ZINC000045386537 JK Annotated Anodyne C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000045386678 JK Annotated Mild C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)[C@@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000045386682 JK Annotated Mild C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O)C2(C)C ZINC000045386686 JK Annotated Mild COc1cc(/C=C2\S/C(=N\c3nc(C45CC6CC(CC(C6)C4)C5)cs3)NC2=O)cc(OC)c1O ZINC000045386718 JK Annotated Mild COc1ccc(-c2csc3c2-n2cc(-c4cc(OC)c(OC)c(OC)c4)cc2C3=O)cc1O ZINC000045386938 JK Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CC1)C[C@H](CCO)c1cccc(Br)c12 ZINC000045387185 JK Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CC1)C[C@@H](CCO)c1cccc(Br)c12 ZINC000045387189 JK Annotated Anodyne O=C(O)c1ccccc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCc2ccccc21 ZINC000045387223 JK Annotated Anodyne CCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000045387238 JK Annotated Anodyne CCCc1cc(=O)oc2cc(OC(=O)/C=C(/C)C(F)(F)F)cc(OC(=O)/C=C(/C)C(F)(F)F)c12 ZINC000045387291 JK Annotated Anodyne O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)nc1Nc1ccc(Cl)cc1 ZINC000045387449 JK Annotated Reactive C1#Cc2ccc[n+](c2)CCCCCCCCCC[n+]2cccc(c2)C#CCCCCCCCC1 ZINC000045387569 JK Annotated Mild Cc1ccc2nc(/N=C3\C(=O)N(CN(c4ccccc4)c4ccccc4)c4ccccc43)sc2c1 ZINC000045388547 JK Annotated Mild Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1 ZINC000045388669 JK Annotated Reactive Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3c4c(O)cc(O)cc4[C@@H]2[C@H]3c2ccc(O)cc2)cc1 ZINC000045388798 JK Annotated Anodyne c1cc(C2=NCCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCCN4)cc3s2)cc1 ZINC000045389135 JK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCO)c3)c(-c3ccccc3)c12 ZINC000045390263 JK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C3CCCCC3)nc2c1 ZINC000045390583 JK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc(Br)cc3)c12 ZINC000045391126 JK Annotated Anodyne CC(C)CC[C@H](c1ccc(C2CC2)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045391209 JK Annotated Anodyne O=C1N/C(=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000045391413 JK Annotated Mild CCN(CC)CN1C(=O)/C(=N\c2nc3ccc(C)cc3s2)c2c(Br)cccc21 ZINC000045391516 JK Annotated Mild CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O ZINC000045391597 JK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O ZINC000045391601 JK Annotated Anodyne C=CCOc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045391650 JK Annotated Mild Clc1cccc(Cl)c1CNC[C@H]1CCC[C@@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000045391964 JK Annotated Anodyne Clc1cccc(Cl)c1CNC[C@H]1CCC[C@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000045391968 JK Annotated Anodyne Clc1cccc(Cl)c1CNC[C@@H]1CCC[C@@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000045391972 JK Annotated Anodyne COC(=O)/C(=C\c1c(-c2ccc(C(F)(F)F)cc2)sc2ccccc12)NCc1ccccc1 ZINC000045392010 JK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccs3)c(-c3cccc(Br)c3)c12 ZINC000045392580 JK Annotated Anodyne CC(C)[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045392673 JK Annotated Anodyne Cc1cccc2cc(CNC34CC5CC(CC(C5)C3)C4)c(N3CCC(N4CCC(O)CC4)CC3)nc12 ZINC000045394053 JK Annotated Anodyne CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12 ZINC000045484100 JK Annotated Bother COC(=O)[C@]1(Cc2cc3ccccc3[nH]2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000045484161 JK Annotated Anodyne COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(/C=C/c3ccccc3)s2)cc1 ZINC000045484199 JK Annotated Anodyne COc1ccc(-c2nnc(-n3c(/C=C/c4ccc(C)cc4)nc4ccccc4c3=O)s2)cc1 ZINC000045484260 JK Annotated Anodyne NC(=O)CN1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000045484344 JK Annotated Anodyne NC(=O)CN1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000045484347 JK Annotated Anodyne COc1cccc(-c2cc3cc4c(c(NCc5cc(OC)c(OC)c(OC)c5)n3n2)CCC4)c1 ZINC000045484359 JK Annotated Anodyne C[C@H](F)c1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045484796 JK Annotated Anodyne C[C@@H](F)c1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045484799 JK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccs1)C(F)(F)F ZINC000045495283 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000045495388 JK Annotated Anodyne CCOP(=O)(CN1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1)OCC ZINC000045495573 JK Annotated Mild COc1cc(Br)ccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000045495767 JK Annotated Clean CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C(=O)C[C@]23C)O1 ZINC000045496666 JK Annotated Anodyne COc1cc(-c2nc(C=O)cc3c4ccccc4n(CCCc4ccccc4)c23)cc(OC)c1OC ZINC000045497274 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(/C)CCC(=O)[C@@H](C)CC/C=C(\C)C[C@H](O)C=C(C)C)c1O ZINC000045497890 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(/C)CCC(=O)[C@H](C)CC/C=C(\C)C[C@H](O)C=C(C)C)c1O ZINC000045497892 JK Annotated Anodyne CCOC(=O)c1cc2c(Cn3ccnc3C)c(O)c(OC)cc2nc1CSc1ccc(F)cc1 ZINC000045497968 JK Annotated Clean COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000045498118 JK Annotated Anodyne Clc1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000045498170 JK Annotated Anodyne Clc1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000045498172 JK Annotated Anodyne Clc1ccc([C@H]2CC3(N4CCCCC4)CCNC2[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl ZINC000045498173 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)C(=O)C[C@]12C ZINC000045505716 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C/C(=N\O)[C@@]3(C)CC[C@]12C3 ZINC000045506006 JK Annotated Mild N#Cc1ccc2[nH]c(-c3ccnc(NCc4ccccc4)c3)c(-c3ccc(F)c(Cl)c3)c2n1 ZINC000045506295 JK Annotated Mild Cc1ccc2c(Cc3nn4c(CN5CCOCC5)c(-c5ccc(Cl)cc5)nc4s3)coc2c1 ZINC000045506388 JK Annotated Anodyne C/C(=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C)c1ccc(C)c(=O)o1 ZINC000045506734 JK Annotated Mild CCN(CC)c1ccc2nc3ccc(=NN=C4C(=O)C=Cc5ccccc54)cc-3n(-c3ccccc3)c2c1 ZINC000472660157 JK Annotated Mild C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780237 JK Annotated Mild C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780291 JK Annotated Mild Cc1cc(OCC(=O)ON=C2CCCCCCCCCCC(=O)O[C@@H](C)CC2)ccc1Cl ZINC000472780299 JK Annotated Mild Cc1cc(OCC(=O)ON=C2CCCCCCCCCCC(=O)O[C@H](C)CC2)ccc1Cl ZINC000472780386 JK Annotated Mild C[C@H]1CCC(=NOC(=O)[C@H](C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000472780589 JK Annotated Mild C[C@H](Oc1ccc(Cl)cc1)C(=O)ON=C1CCCCCCCCCCC(=O)O[C@H](C)CC1 ZINC000472780598 JK Annotated Mild C[C@H]1CCC(=NOC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000472780604 JK Annotated Mild C[C@@H]1CCC(=NOC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000472780608 JK Annotated Mild Cc1cc(O[C@@H](C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)ccc1Cl ZINC000472780742 JK Annotated Mild Cc1cc(O[C@H](C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)ccc1Cl ZINC000472780743 JK Annotated Mild C[C@H]1CCC(=NOC(=O)COc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000472780751 JK Annotated Mild C[C@@H]1CCC(=NOC(=O)COc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000472780785 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)ON=C1CCCCCCCCCCC(=O)O[C@@H](C)CC1 ZINC000472780788 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)ON=C1CCCCCCCCCCC(=O)O[C@H](C)CC1 ZINC000472780795 JK Annotated Mild C[C@@H]1CCC(=NOC(=O)COc2ccc(Cl)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000472780798 JK Annotated Mild C[C@H]1CCC(=NOC(=O)COc2ccc(Cl)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000472780804 JK Annotated Mild C[C@H](Oc1ccc(Cl)cc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780845 JK Annotated Mild C[C@@H](Oc1ccc(Cl)cc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780850 JK Annotated Mild CCCCCCCCCCCCCCCCON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780857 JK Annotated Mild C[C@H](Oc1cccc(Cl)c1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780887 JK Annotated Mild C[C@@H](Oc1cccc(Cl)c1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472780891 JK Annotated Mild C[C@H](Oc1ccccc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472802923 JK Annotated Mild C[C@@H](Oc1ccccc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472802925 JK Annotated Mild CC(C)(Oc1ccc(Cl)cc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472802926 JK Annotated Mild Cc1cc(OC(C)(C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)ccc1Cl ZINC000472802934 JK Annotated Mild O=C1CCCCCCCCCCC(=NOC(=O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000472802948 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472802981 JK Annotated Mild O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)c(F)c1 ZINC000473081276 JK Annotated Anodyne COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473081744 JK Annotated Anodyne COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473081753 JK Annotated Anodyne COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473081754 JK Annotated Anodyne COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473081755 JK Annotated Anodyne Cc1ccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1C ZINC000473082024 JK Annotated Reactive Cc1ccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1C ZINC000473082025 JK Annotated Reactive CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCC3)c2)n(C(C)C)n1 ZINC000473082515 JK Annotated Anodyne COC(=O)C1=C(Nc2ccc(F)cc2)C[C@@H](c2ccccc2)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000473082893 JK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(F)cc4)c4c(O)cc(O)cc4[C@@H]23)cc1 ZINC000473082924 JK Annotated Anodyne COC(=O)[C@]12CCC(=O)[C@H]1[C@@]13C=C(C(C)C)[C@@H]2C[C@@H]1[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@@H]1CC3 ZINC000473082934 JK Annotated Anodyne COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(CC1CC1)C[C@@H]2c1ccccc1)OCO4 ZINC000473083592 JK Annotated Anodyne COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(CC1CC1)C[C@H]2c1ccccc1)OCO4 ZINC000473083597 JK Annotated Anodyne COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(CC1CC1)C[C@@H]2c1ccccc1)OCO4 ZINC000473083600 JK Annotated Anodyne COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(CC1CC1)C[C@H]2c1ccccc1)OCO4 ZINC000473083601 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000473083660 JK Annotated Bother CN(C(=O)CCC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2C(=O)OC(C)(C)C)cc1 ZINC000473083693 JK Annotated Anodyne Cc1ccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 ZINC000473083949 JK Annotated Reactive Cc1ccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 ZINC000473083951 JK Annotated Reactive CC(C)n1nc(NC=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473083997 JK Annotated Anodyne CC(C)n1nc(NC=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473084005 JK Annotated Anodyne CC(C)n1nc(NC=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473084008 JK Annotated Anodyne Clc1ccc(Br)cc1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473084010 JK Annotated Anodyne CC[C@@](C)(OCc1ccccc1)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(O)cccc1C3=O ZINC000473084024 JK Annotated Clean CC[C@](C)(OCc1ccccc1)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(O)cccc1C3=O ZINC000473084030 JK Annotated Clean Oc1ccc([C@@H]2C(c3cc(O)cc(O)c3)=C(Cc3ccc(Cl)cc3)c3cc(O)cc(O)c32)cc1 ZINC000473084313 JK Annotated Anodyne Oc1ccc([C@H]2C(c3cc(O)cc(O)c3)=C(Cc3ccc(Cl)cc3)c3cc(O)cc(O)c32)cc1 ZINC000473084317 JK Annotated Anodyne COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCCCl ZINC000473085007 JK Annotated Reactive COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@@H](Cl)CCCCCCCl ZINC000473085016 JK Annotated Reactive CC(C)=CCC/C(C)=C/Cc1cc(C(=O)/C=C/c2ccc(O)cc2)c(O)c(CC=C(C)C)c1O ZINC000473085737 JK Annotated Mild COc1cc([C@@H](c2ccccc2)N(CCCl)CCCl)c(O)c2c1C(=O)c1ccccc1C2=O ZINC000473085958 JK Annotated Reactive COc1cc([C@H](c2ccccc2)N(CCCl)CCCl)c(O)c2c1C(=O)c1ccccc1C2=O ZINC000473085959 JK Annotated Reactive C/C(=C\CCC/C(C)=C/C(=O)C[C@@]1(C)CC[C@@H](C(C)(C)O)O1)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000473085972 JK Annotated Mild C/C(=C\CCC/C(C)=C/C(=O)C[C@@]1(C)CC[C@@H](C(C)(C)O)O1)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000473085976 JK Annotated Mild CCN1c2ccc(F)cc2N/C(=N/[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc(Cl)ccc21 ZINC000473086025 JK Annotated Mild CN(C)CCCNc1nc(=NCc2ccccc2)[nH]c2cc(-c3ccc(C(F)(F)F)cc3)sc12 ZINC000473086044 JK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3c(-c4ccc(OC)cc4)csc3n2)c1 ZINC000473086260 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccn2)cc1 ZINC000473086316 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccn2)cc1 ZINC000473086319 JK Annotated Anodyne O=C(COc1ccc(C(=O)NO)cc1)Nc1ccc2ccnc(Nc3ccc4ccccc4c3)c2c1 ZINC000473086353 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(C(C)(C)C)cc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000473086863 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(C(C)(C)C)cc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000473086869 JK Annotated Anodyne COc1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473086871 JK Annotated Anodyne CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3ccc(OC)cc3)cc(C(C)C)c2O)n1 ZINC000473086910 JK Annotated Mild CN=c1nc(-c2ccc(C(F)(F)F)cc2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473086990 JK Annotated Anodyne C[n+]1c(C#Cc2ccc(-c3ccc(O)cc3)cc2)cccc1C#Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000473087302 JK Annotated Mild COc1ccc(N=C(C)Nc2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 ZINC000473087428 JK Annotated Mild C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 ZINC000473087629 JK Annotated Mild CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)cc1 ZINC000473087633 JK Annotated Anodyne COc1ccc(-c2cncc(Oc3cccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)c3)n2)cc1 ZINC000473087847 JK Annotated Anodyne CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3cccs3)cc(C(C)(C)C)c2O)n1 ZINC000473087959 JK Annotated Mild C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000473088076 JK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000473088446 JK Annotated Anodyne CC(C)NC(=O)N1CC[C@H](/N=C2/Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1 ZINC000473088484 JK Annotated Mild Nc1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473088579 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000473088649 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000473088663 JK Annotated Anodyne COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4ccccc4)cc3Cl)c2c1 ZINC000473088679 JK Annotated Anodyne CCCCOC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473088723 JK Annotated Mild C/C(=N/Cc1ccccc1F)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 ZINC000473088978 JK Annotated Mild CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3ccc(C)cc3)cc(C(C)C)c2O)n1 ZINC000473088982 JK Annotated Mild Cc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]23)cc1 ZINC000473088998 JK Annotated Anodyne C/C(=N/Cc1cccc(F)c1)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 ZINC000473089000 JK Annotated Mild CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3ccc(OC)cc3)cc(C(C)(C)C)c2O)n1 ZINC000473089009 JK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1ccc(C=O)cc1 ZINC000473089076 JK Annotated Anodyne CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3ccco3)cc(C(C)(C)C)c2O)n1 ZINC000473089138 JK Annotated Mild O=C(Nc1nc(-c2cc3cc(Br)ccc3o2)cs1)Nc1ccccc1[N+](=O)[O-] ZINC000473089159 JK Annotated Bother CCOC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473089183 JK Annotated Mild CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC000473089244 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC000473089255 JK Annotated Anodyne Cc1cccc(-c2ccc(C#Cc3cccc(C#Cc4ccc(-c5cccc(C)c5)cc4)[n+]3C)cc2)c1 ZINC000473089343 JK Annotated Mild C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)c1ccc(F)cc1 ZINC000473089534 JK Annotated Mild CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3cccs3)cc(C(C)C)c2O)n1 ZINC000473089549 JK Annotated Mild C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 ZINC000473089604 JK Annotated Mild COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4ccccc4F)cc3Cl)c2c1 ZINC000473089744 JK Annotated Anodyne CCc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 ZINC000473089860 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000473090064 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000473090071 JK Annotated Bother CC(=Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 ZINC000473090479 JK Annotated Mild O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000473090483 JK Annotated Bother CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000473090525 JK Annotated Anodyne NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1 ZINC000473090786 JK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000473090833 JK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000473090836 JK Annotated Anodyne O=C(c1cccnc1Cl)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12 ZINC000473090892 JK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3c(-c4ccc(Cl)cc4)csc3n2)c1 ZINC000473091424 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000473091432 JK Annotated Anodyne Fc1ccc(Br)c(F)c1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473091900 JK Annotated Anodyne Cc1ccc(-c2ccc(C#Cc3cccc(C#Cc4ccc(-c5ccc(C)cc5)cc4)[n+]3C)cc2)cc1 ZINC000473092001 JK Annotated Mild CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1coc2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000473092207 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1coc2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000473092231 JK Annotated Anodyne N#Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473092242 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000473092271 JK Annotated Mild C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000473093439 JK Annotated Anodyne C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000473093444 JK Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12 ZINC000473093983 JK Annotated Anodyne CC(C)COC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473094017 JK Annotated Mild C/C=C/C=C/C=C/C[N@@+](C)(CCCCCCCCCCCCCCCC)Cc1ccccc1 ZINC000473095074 JK Annotated Mild C/C=C/C=C/C=C/C[N@+](C)(CCCCCCCCCCCCCCCC)Cc1ccccc1 ZINC000473095085 JK Annotated Mild C#CCOC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473096099 JK Annotated Mild Cc1ccccc1-c1ccc(C#Cc2cccc(C#Cc3ccc(-c4ccccc4C)cc3)[n+]2C)cc1 ZINC000473096105 JK Annotated Mild CC(C)OC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473096513 JK Annotated Mild CCCOC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473096810 JK Annotated Mild COc1cc(Sc2c(-c3ccccc3)[nH]c3cc(Br)ccc23)cc(OC)c1OC ZINC000473097128 JK Annotated Anodyne O=C(CCCO[N+](=O)[O-])Oc1cccc(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000473097825 JK Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000473097866 JK Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000473097868 JK Annotated Anodyne NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1 ZINC000473097877 JK Annotated Anodyne COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12 ZINC000473097880 JK Annotated Anodyne CCCN(CCC)c1nc(-c2ccc(OCC)cc2)c(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000473097939 JK Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4ccc(Br)cc4n3)cc2)[nH]o1 ZINC000473098071 JK Annotated Anodyne COc1cc(Cc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)cc(OC)c1OC ZINC000473099590 JK Annotated Anodyne Cc1nc2cc(Br)ccc2nc1Oc1ccc(/N=C\c2ccc(Cl)cc2)cc1 ZINC000473099806 JK Annotated Mild CCOc1ccc(-c2nc(C(OCC)OCC)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473100643 JK Annotated Anodyne COc1cc(Sc2c(-c3ccccc3)[nH]c3cccc(Br)c23)cc(OC)c1OC ZINC000473100659 JK Annotated Anodyne CN(C(=O)c1csc(-c2cccnc2)n1)c1ccc(OCB2C=Cc3ccccc3N2)cc1 ZINC000473100673 JK Annotated Anodyne C=CCNC(=S)Nc1cc2c(cc1Oc1cc(C)cc(C)c1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000473101624 JK Annotated Mild C=CCNC(=S)Nc1cc2c(cc1Oc1cc(C)cc(C)c1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000473101629 JK Annotated Mild C=CC[C@@H]1C(=O)Nc2cc(NC(=S)Nc3ccccc3OC)c(N(CCC)CCC)cc21 ZINC000473102904 JK Annotated Mild C=CC[C@H]1C(=O)Nc2cc(NC(=S)Nc3ccccc3OC)c(N(CCC)CCC)cc21 ZINC000473102908 JK Annotated Mild O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1 ZINC000473102929 JK Annotated Anodyne O=C(CCCO[N+](=O)[O-])Oc1ccc(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)cc1 ZINC000473102931 JK Annotated Anodyne Cc1nc2cc(Br)ccc2nc1Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1 ZINC000473103925 JK Annotated Mild COc1cc(Sc2c(-c3ccccc3)[nH]c3c(Cl)c(Cl)ccc23)cc(OC)c1OC ZINC000473103943 JK Annotated Anodyne Cc1c(CNC(=O)c2ccc(C(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)C)cc1)CCC2 ZINC000473103989 JK Annotated Anodyne COc1cc2nc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3Br)c2c2ccccc12 ZINC000473104078 JK Annotated Bother COc1cc(Sc2c(-c3ccccc3)[nH]c3c(Br)cccc23)cc(OC)c1OC ZINC000473104894 JK Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc([C@@H]2CC[C@H](C(=O)O)CC2)c2ccccn12 ZINC000473104897 JK Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc([C@@H]2CC[C@@H](C(=O)O)CC2)c2ccccn12 ZINC000473104898 JK Annotated Anodyne COc1ccccc1C(=O)n1c(-c2cn(C)c3ccc(Br)cc23)nc2ccccc21 ZINC000473104913 JK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)c2c(-c3ccccc3)cc(=O)oc2C(C(=O)C(C)C)=C1O ZINC000473105917 JK Annotated Mild CN(C(=O)c1csc(-c2cccnc2)n1)c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000473105978 JK Annotated Anodyne CC(C)c1nn(C)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1 ZINC000473105995 JK Annotated Anodyne CC(C)c1c(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OCC(F)(F)F)c2)cnn1C ZINC000473107047 JK Annotated Anodyne Oc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCN(c2ccccc2)CC1 ZINC000473107202 JK Annotated Clean CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2[C@H]1c1cc(OC)cc(OC)c1 ZINC000473107203 JK Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000473107204 JK Annotated Anodyne CCCOc1ccc2c(c1)N(CC)/C(=C/C=C/c1sc3ccc(OCCC)cc3[n+]1CC)S2 ZINC000473107282 JK Annotated Clean C/C=C/C=C/C=C/C[N@+](C)(CCCCCCCCCCCCCCCCCC)Cc1ccccc1 ZINC000473107624 JK Annotated Mild C/C=C/C=C/C=C/C[N@@+](C)(CCCCCCCCCCCCCCCCCC)Cc1ccccc1 ZINC000473107631 JK Annotated Mild C[n+]1c(CCc2ccc(-c3ccccc3)cc2)cccc1CCc1ccc(-c2ccccc2)cc1 ZINC000473107783 JK Annotated Anodyne CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1 ZINC000473108002 JK Annotated Anodyne COc1ccc2cc(-c3c[nH]c(=N)c4c(-c5ccc(Oc6ccccc6)cc5)csc34)ccc2c1 ZINC000473108232 JK Annotated Anodyne N=c1[nH]cc(-c2ccc(N3CCOCC3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473108481 JK Annotated Anodyne Oc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCN(Cc2ccccc2)CC1 ZINC000473108499 JK Annotated Clean N=c1[nH]cc(-c2ccc(Oc3ccccc3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473108514 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)[C@@H](CSCc1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 ZINC000473108536 JK Annotated Bother O=C(c1ccc(Cl)cc1)[C@H](CSCc1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 ZINC000473108537 JK Annotated Bother N=c1[nH]cc(-c2cnn(Cc3ccccc3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473108567 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=C[C@@]3(OC)C(=C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000473108781 JK Annotated Mild C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)O)[C@](C)(CCC(=O)O)C3=C[C@@H]12 ZINC000473109483 JK Annotated Mild Cn1ccc2[n+](CCCCCCC[n+]3c4ccn(C)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473109540 JK Annotated Anodyne NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1 ZINC000473109974 JK Annotated Anodyne COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c([N+](=O)[O-])cc(C(C)C)cc12 ZINC000473110125 JK Annotated Bother CO[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC1=C(C=O)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@]12C ZINC000473110535 JK Annotated Reactive CC(C)C[C@H]1CN2C(=CC3=NC[C@H](C(C)C)N3C[C@@H]2Cc2ccccc2)N1CCc1ccccc1 ZINC000473110951 JK Annotated Anodyne C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)OC(=O)CC[C@]4(C)C3=C[C@@H]12 ZINC000473111445 JK Annotated Mild Cn1ccc2[n+](CCCCCCCCC[n+]3c4ccn(C)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473111448 JK Annotated Anodyne CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(OCCCO[N+](=O)[O-])cc21 ZINC000473111480 JK Annotated Clean CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@H]1c1cc(OC)cc(OC)c1 ZINC000473111508 JK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000473111509 JK Annotated Anodyne Cn1ccc2[n+](CCCCCCCC[n+]3c4ccn(C)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473111512 JK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(Cc2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473111862 JK Annotated Anodyne CN(C)c1cc(Cl)c(C(=O)N(Cc2cccnc2)c2ccc(O)c(C(C)(C)C)c2)c(Cl)c1 ZINC000473111873 JK Annotated Anodyne CC(C)(C)OC(=O)N1C=C(c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)CCC1 ZINC000473112265 JK Annotated Anodyne Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccccc1 ZINC000473112300 JK Annotated Clean Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccccc1 ZINC000473112302 JK Annotated Clean CCOC(=O)c1csc2nc(-c3ccc(NC(=O)Nc4ccc(Br)cn4)cc3)cn12 ZINC000473112595 JK Annotated Anodyne CN(C)c1cc(Cl)c(C(=O)N(c2ccc(O)c(C(C)(C)C)c2)C2CCCCC2)c(Cl)c1 ZINC000473112639 JK Annotated Anodyne Brc1cccc(/C=C/CSSC/C=C/c2cccc(Br)c2)c1 ZINC000473112654 JK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)C(=O)[C@@H]1[C@H](O)C=C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC=C(C)C ZINC000473112779 JK Annotated Anodyne O=C(c1nc(-c2c[nH]c3ccc(Br)cc23)c[nH]1)c1c[nH]c2ccc(Br)cc12 ZINC000473112809 JK Annotated Anodyne CC(C)Oc1ccc(Cc2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000473112850 JK Annotated Anodyne CSc1ccc(Cc2c(-c3ccc(F)cc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000473112940 JK Annotated Anodyne COc1c(C)cc(Cc2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1C ZINC000473112975 JK Annotated Anodyne O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2ccc(Cl)cc2)nc(Cc2ccc(F)cc2)n1 ZINC000473113257 JK Annotated Bother Cc1ccc(Cc2c(-c3ccc(Cl)cc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000473113290 JK Annotated Anodyne Nc1sc(Cc2cccc3ccccc23)c(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473113297 JK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(Cc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473113321 JK Annotated Anodyne Brc1ccc(-c2cc(CN(c3ncccn3)c3nc4ccccc4s3)on2)cc1 ZINC000473113324 JK Annotated Anodyne Brc1ccc(/C=C/CSSC/C=C/c2ccc(Br)cc2)cc1 ZINC000473113332 JK Annotated Reactive Fc1ccc(/C(COc2ccc(Br)cc2)=N\NC(=S)Nc2ccccc2)cc1 ZINC000473113340 JK Annotated Mild N=c1[nH]cc(-c2cnn(CCC(=O)O)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473113737 JK Annotated Anodyne COc1cc2c3c(c4ccc(NS(=O)(=O)C(C)C)cc4c2cc1OC)CN1CCCC[C@@H]1C3 ZINC000473113823 JK Annotated Bother COc1cc2c3c(c4ccc(NS(=O)(=O)C(C)C)cc4c2cc1OC)CN1CCCC[C@H]1C3 ZINC000473113835 JK Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473114075 JK Annotated Bother CSc1ccc(Cc2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000473114398 JK Annotated Anodyne O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2cccc(Cl)c2)nc(Cc2ccc(F)cc2)n1 ZINC000473114597 JK Annotated Bother C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SSC(=O)[C@@H]2C ZINC000473114659 JK Annotated Reactive CN(C)c1cc(Cl)c(C(=O)N(CC2CCCCC2)c2ccc(O)c(C(C)(C)C)c2)c(Cl)c1 ZINC000473114691 JK Annotated Anodyne COc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2Cc2ccc(SC)cc2)cc1 ZINC000473114970 JK Annotated Anodyne CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N/OC(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000473115000 JK Annotated Mild COc1ccccc1-c1cc(-c2cc3c(ccc4ccccc43)oc2=O)nc(Cc2ccc(F)cc2)n1 ZINC000473115306 JK Annotated Bother Nc1sc(-c2ccccc2)c(Cc2cccc3ccccc23)c1C(=O)c1ccc(Cl)cc1 ZINC000473115524 JK Annotated Anodyne O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2ccccc2Cl)nc(Cc2ccc(F)cc2)n1 ZINC000473115810 JK Annotated Bother Nc1sc(-c2ccccc2)c(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473116339 JK Annotated Anodyne Nc1sc(-c2ccc(F)cc2)c(Cc2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473116418 JK Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4c5c(cn(Cc6ccccc6)c5C[C@@]4(C)O)C=C[C@@H]23)O1 ZINC000473117386 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)nc(=NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473117387 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)nc(=NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473117388 JK Annotated Anodyne Nc1sc(Cc2ccc(OC(F)(F)F)cc2)c(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473117748 JK Annotated Anodyne CCO[C@@H]1O[C@@]2(OCC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@@]5(O[C@@H](C=C(C)C)C[C@@H]5C)[C@@H]4CC=C1[C@H]32 ZINC000473117908 JK Annotated Anodyne CCO[C@H]1O[C@@]2(OCC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@@]5(O[C@@H](C=C(C)C)C[C@@H]5C)[C@@H]4CC=C1[C@H]32 ZINC000473117916 JK Annotated Anodyne FC(F)(F)Oc1ccc(-c2cc(CN(c3ncccn3)c3nc4ccccc4s3)on2)cc1 ZINC000473118625 JK Annotated Anodyne CC1=C(/N=N/c2ccccc2)N=C(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)NN1 ZINC000473118727 JK Annotated Clean CC1=C(/N=N/c2ccccc2)N=C(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)NN1 ZINC000473118731 JK Annotated Clean FC(F)(F)Sc1ccc(-c2cc(CN(c3ncccn3)c3nc4ccccc4s3)on2)cc1 ZINC000473118860 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000473119434 JK Annotated Mild NC(=O)c1c[nH]c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2c1=Nc1ccc(Cl)cc1 ZINC000473119673 JK Annotated Mild Cc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000473119910 JK Annotated Anodyne CNC(=O)CCn1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473120554 JK Annotated Anodyne OC[C@@H](O)c1cccc(-c2ccc3c(c2)CN(CC2CC2)CCN3c2ccc(C(F)(F)F)cc2)n1 ZINC000473120603 JK Annotated Anodyne Cc1nc(C)c(CN=c2[nH]c(OCCCc3nc4ccccc4s3)nc(Cl)c2C)s1 ZINC000473120654 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1cc(Sc1ccccc1Br)c1nsnc21 ZINC000473120680 JK Annotated Clean O=S(=O)(c1ccccc1)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12 ZINC000473120718 JK Annotated Anodyne CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)nc12 ZINC000473121168 JK Annotated Anodyne C=CC(=O)NCCn1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473122240 JK Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)c2ccc3[nH]cc(C(N)=O)c(=Nc4ccc(Cl)cc4)c3c2)cc1 ZINC000473122633 JK Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@H]4C(=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@@H]12 ZINC000473122671 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000473123214 JK Annotated Mild C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)C(C)(C)O ZINC000473123220 JK Annotated Reactive C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](Br)C(C)(C)O ZINC000473123222 JK Annotated Reactive C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@H](Br)C(C)(C)O ZINC000473123223 JK Annotated Reactive C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)C(C)(C)O ZINC000473123224 JK Annotated Reactive Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473123243 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OCC ZINC000473123776 JK Annotated Mild N#Cc1ccc(Nc2nccc(Oc3ccc4c(=O)c(C(=O)O)cn(C5CCCCC5)c4c3)n2)cc1 ZINC000473124144 JK Annotated Mild COc1cc(-c2cc(CN(c3ncccn3)c3nc4ccccc4s3)on2)cc(OC)c1OC ZINC000473124178 JK Annotated Anodyne N=c1[nH]cc(-c2cnn([C@@H]3CCCNC3=O)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473124179 JK Annotated Anodyne N=c1[nH]cc(-c2cnn([C@H]3CCCNC3=O)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473124180 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000473125619 JK Annotated Anodyne C#CCOC(=O)CC[C@@]1(C)[C@H](C(=C)C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473125709 JK Annotated Mild O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1 ZINC000473126186 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OCCC ZINC000473126376 JK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)OC(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000473127201 JK Annotated Anodyne C=CCOC(=O)CC[C@@]1(C)[C@H](C(=C)C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473128429 JK Annotated Mild O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000473129191 JK Annotated Anodyne CCO[C@H]1OC[C@]23CCC[C@]1(C)[C@@H]2CC[C@@]1(C)[C@H](Cc2cc(O)ccc2O)[C@@](C)(O)CC[C@H]31 ZINC000473130844 JK Annotated Anodyne COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000473130926 JK Annotated Anodyne COc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4CCc4cc(O)ccc4-5)c(O)cc(OC)c32)c1 ZINC000473130943 JK Annotated Bother O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(Oc2ccc(Cl)cc2Cl)o1 ZINC000473131327 JK Annotated Anodyne COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(O)cc(OC)c4c3ccc3cc(OC)ccc34)cc1-2 ZINC000473132404 JK Annotated Bother COc1ccc2c(ccc3c(-c4c(O)ccc5c4CCc4cc(O)cc(OC)c4-5)c(O)cc(OC)c32)c1 ZINC000473132449 JK Annotated Bother CCOC(=O)c1csc(/N=C/c2cc(/C=C/C(=O)c3ccc(C)cc3)cc(C(C)(C)C)c2O)n1 ZINC000473133139 JK Annotated Mild CCCCCC(=O)c1c(O)cc(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000473133364 JK Annotated Mild CCCCCC(=O)c1c(O)cc(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000473133365 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000473134372 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000473134374 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000473134375 JK Annotated Mild C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)C[C@H](O)[C@H](O)C(C)(C)O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000473134376 JK Annotated Mild CC(C)(C)OC(=O)N1CC=C(c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)CC1 ZINC000473134393 JK Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000473134395 JK Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000473134396 JK Annotated Mild O=S(=O)(c1ccc(OC(F)(F)F)cc1)C1CCC(=C2c3ccccc3CCc3ccccc32)CC1 ZINC000473134406 JK Annotated Clean Cc1ccc(Cn2cc(C(=O)Nc3cccc4ccccc34)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473134430 JK Annotated Anodyne C=CC(=O)N1CCC[C@H](c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)C1 ZINC000473134441 JK Annotated Anodyne C=CC(=O)N1CCC[C@@H](c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)C1 ZINC000473134442 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3c4ccc([C@H](C)[C@@H]5NC[C@@H](C)C[C@H]5O)c(C)c4C[C@@H]32)C1 ZINC000473134942 JK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@H]4C(C)(C)CC[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473135120 JK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)CC[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473135121 JK Annotated Anodyne C=C(C)[C@H]1CC[C@@](C)(O)[C@@H](C2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C2O)C1 ZINC000473135154 JK Annotated Mild C=C(C)[C@H]1CC[C@@](C)(O)[C@@H](C2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C2O)C1 ZINC000473135155 JK Annotated Mild CC1=CP(C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1c(=O)oc1ccccc21 ZINC000473135190 JK Annotated Anodyne C=C(C)[C@H]1CC[C@@](C)(O)[C@@H](C2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C2O)C1 ZINC000473135257 JK Annotated Mild Cc1ccc(Cn2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473135359 JK Annotated Anodyne O=S(=O)(NCCCN(c1ccccc1)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000473135809 JK Annotated Anodyne Cc1ccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)cc1 ZINC000473135954 JK Annotated Bother Cc1ccccc1-c1cc(-c2cc3c(ccc4ccccc43)oc2=O)nc(Cc2ccc(F)cc2)n1 ZINC000473135979 JK Annotated Bother CC(C)c1ccc(/C=C/C(=O)c2ccc(N[C@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)cc2)cc1 ZINC000473136027 JK Annotated Mild CC(C)c1ccc(/C=C/C(=O)c2ccc(N[C@@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)cc2)cc1 ZINC000473136028 JK Annotated Mild CC(C)CCn1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2CCC(C)C)nc2ccccc21 ZINC000473136242 JK Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N1NC(SCc3cccc4ccccc34)=NC1=N2 ZINC000473136320 JK Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N1NC(SCc3cccc4ccccc34)=NC1=N2 ZINC000473136321 JK Annotated Mild CNC(=O)CN1C=C(c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)CCC1 ZINC000473136557 JK Annotated Anodyne C=CC(=O)N1CC=C(c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)CC1 ZINC000473136682 JK Annotated Anodyne Cc1ccc(Cn2cc(C(=O)N[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473136719 JK Annotated Anodyne Cc1cc(-c2cc3cc(Cl)ccc3oc2=O)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000473136741 JK Annotated Anodyne C=CC(=O)N1C=C(c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)CCC1 ZINC000473136768 JK Annotated Anodyne Cc1cccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)c1 ZINC000473137275 JK Annotated Bother Cc1cc(O)cc(Oc2cc(C)cc(OCc3ccc([C@@](C)(O)CCCC(C)C)c(O)c3)c2)c1 ZINC000473137278 JK Annotated Anodyne CCC[C@H](C)n1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@@H](C)CCC)nc2ccccc21 ZINC000473137605 JK Annotated Mild CCC[C@@H](C)n1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@H](C)CCC)nc2ccccc21 ZINC000473137606 JK Annotated Mild CCC[C@H](C)n1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@H](C)CCC)nc2ccccc21 ZINC000473137607 JK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(N[C@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)cc2)cc1 ZINC000473137623 JK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(N[C@@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)cc2)cc1 ZINC000473137624 JK Annotated Mild COc1ccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)cc1 ZINC000473137625 JK Annotated Bother Cc1ccc(Cn2cc(C(=O)NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473137626 JK Annotated Anodyne Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)c3c2-c2ccc(Cl)c(C)c2C3)cc1 ZINC000473137645 JK Annotated Anodyne Cc1ccc(Cn2cc(CN[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473137659 JK Annotated Anodyne Cc1ccc(/C=C/C(=O)c2ccc(N[C@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)cc2)cc1 ZINC000473137687 JK Annotated Mild Cc1ccc(/C=C/C(=O)c2ccc(N[C@@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)cc2)cc1 ZINC000473137690 JK Annotated Mild Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473137699 JK Annotated Anodyne CNC(=O)c1ccc(-c2ccccc2C)cc1O[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000473137872 JK Annotated Anodyne CCCCCCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)O)cc21 ZINC000473144222 JK Annotated Mild COc1ccc2c([nH]c3c(-c4c(O)c(C)cc5c4[nH]c4ccccc45)c(O)c(C)cc32)c1C=O ZINC000473145995 JK Annotated Anodyne O=C(/C=C/c1ccc[n+](Cc2cccc(Cl)c2Cl)c1)c1cc2cc(Br)ccc2o1 ZINC000473147433 JK Annotated Mild O=C(/C=C/c1ccc[n+](Cc2ccc(Br)cc2)c1)c1cc2cc(Br)ccc2o1 ZINC000473148632 JK Annotated Mild CCOC(=O)c1csc(-c2csc(-c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)n2)n1 ZINC000473149133 JK Annotated Anodyne CCOC(=O)c1csc(-c2csc(-c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)n2)n1 ZINC000473149134 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000473150513 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000473150525 JK Annotated Anodyne C=C(C)[C@@H](O)[C@@H](O)C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000473150571 JK Annotated Mild CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473150880 JK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000473151231 JK Annotated Anodyne O=C(/C=C/c1ccc[n+](Cc2ccccc2Br)c1)c1cc2cc(Br)ccc2o1 ZINC000473151255 JK Annotated Mild O=C(/C=C/c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1)c1cc2cc(Br)ccc2o1 ZINC000473151304 JK Annotated Mild N[C@@H]1CC[C@@H](Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473152107 JK Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473152111 JK Annotated Anodyne CCCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473152115 JK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1C[C@@H]2CC[C@H](C1)N2)C1CC1 ZINC000473152118 JK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473152127 JK Annotated Anodyne COc1cc(-c2cc(F)c3ncc(C(=O)C4CC4)c(N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473152142 JK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473152145 JK Annotated Anodyne C[C@@H]1CC(=O)[C@@H](C(C)(C)O)O[C@H]2C[C@@]3(C)C(=C21)C=C[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C ZINC000473152422 JK Annotated Anodyne Cc1[nH]c2c(c1[C@]1(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)C1=O)C(=O)C[C@H](c1ccccc1)C2 ZINC000473153117 JK Annotated Mild Cc1[nH]c2c(c1[C@]1(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)C1=O)C(=O)C[C@@H](c1ccccc1)C2 ZINC000473153118 JK Annotated Mild Cc1[nH]c2c(c1[C@]1(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)C1=O)C(=O)C[C@@H](c1ccccc1)C2 ZINC000473153119 JK Annotated Mild Cc1[nH]c2c(c1[C@]1(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)C1=O)C(=O)C[C@H](c1ccccc1)C2 ZINC000473153120 JK Annotated Mild CCc1cc2c(cc1COc1c(Cl)cc(CN=c3nn[nH][nH]3)cc1OC)C(C)(C)CCC2(C)C ZINC000473153330 JK Annotated Anodyne Cn1cc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1 ZINC000473153719 JK Annotated Anodyne O=C1O/C(=C\Cn2cnc3ccnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473153942 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(CNC(=O)c2ccc3cc(O)ccc3c2)cc1)C(C)(C)C ZINC000473153949 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(CNC(=O)c2ccc3cc(O)ccc3c2)cc1)C(C)(C)C ZINC000473153952 JK Annotated Anodyne C=CCOc1cc(-c2noc(-c3ccc(O)cc3)n2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000473154362 JK Annotated Mild CC1=N[C@@H](C)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473154376 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(COc3ccn4cc(-c5cncnc5)nc4n3)cc2)ccc1Cl ZINC000473154494 JK Annotated Anodyne Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(C(F)(F)F)cc1 ZINC000473154598 JK Annotated Anodyne Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1cccc(C(F)(F)F)c1 ZINC000473154602 JK Annotated Anodyne CC(C)COc1ncc(-c2cccc3cc4c(NS(=O)(=O)C5CC5)noc4cc23)cc1Cl ZINC000473154647 JK Annotated Anodyne C=C(C)[C@@H](O)[C@@H](O)C[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1 ZINC000473154718 JK Annotated Mild CC(C)(C)c1ccc(-c2nc(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cs2)cc1 ZINC000473154819 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000473154902 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000473154903 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)co2)cc1 ZINC000473155023 JK Annotated Anodyne O=C1OC(c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)=N/C1=C/c1ccc(F)cc1Cl ZINC000473156185 JK Annotated Clean CC[C@H](C)c1cc(/C=N/Nc2nc3ccccc3s2)cc(/C=C/C(=O)c2ccc(F)cc2)c1O ZINC000473158144 JK Annotated Mild CC[C@@H](C)c1cc(/C=N/Nc2nc3ccccc3s2)cc(/C=C/C(=O)c2ccc(F)cc2)c1O ZINC000473158145 JK Annotated Mild [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CNC(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 ZINC000473158150 JK Annotated Reactive COc1ccc([C@H](C)Oc2ccc(Cn3cnc4cc(-c5ccnc(F)c5)cnc43)cc2OC)cn1 ZINC000473159048 JK Annotated Anodyne COc1ccc([C@@H](C)Oc2ccc(Cn3cnc4cc(-c5ccnc(F)c5)cnc43)cc2OC)cn1 ZINC000473159054 JK Annotated Anodyne COc1cc([C@@H](C)n2cnc3cc(C#CCCO)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159119 JK Annotated Mild COc1cc([C@H](C)n2cnc3cc(C#CCCO)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159126 JK Annotated Mild COc1ccc(COc2ccc([C@@H](C)n3c(=N)[nH]c4cc(-c5ccc(F)cc5)ccc43)cc2OC)cn1 ZINC000473159139 JK Annotated Anodyne COc1ccc(COc2ccc([C@H](C)n3c(=N)[nH]c4cc(-c5ccc(F)cc5)ccc43)cc2OC)cn1 ZINC000473159149 JK Annotated Anodyne COc1ccc(-c2cnc3c(c2)ncn3Cc2ccc(O[C@H](C)c3ccc(OC)nc3)c(OC)c2)cn1 ZINC000473159192 JK Annotated Anodyne COc1ccc(-c2cnc3c(c2)ncn3Cc2ccc(O[C@@H](C)c3ccc(OC)nc3)c(OC)c2)cn1 ZINC000473159194 JK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1C[C@@H]2CC[C@H](C1)N2)C1CC1 ZINC000473159229 JK Annotated Anodyne CCCCC[C@H](Br)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O ZINC000473159245 JK Annotated Reactive CCCCC[C@@H](Br)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O ZINC000473159254 JK Annotated Reactive CC(C)(C)c1ccc(-c2nc(CN3CCC(C(=O)c4ccc5c(c4)CCCC5)CC3)co2)cc1 ZINC000473159320 JK Annotated Anodyne CC[C@@H](C)c1cc(/C=N/Nc2nc3ccccc3s2)cc(/C=C/C(=O)c2ccc(OC)cc2)c1O ZINC000473160939 JK Annotated Mild CC[C@H](C)c1cc(/C=N/Nc2nc3ccccc3s2)cc(/C=C/C(=O)c2ccc(OC)cc2)c1O ZINC000473160944 JK Annotated Mild CCOC(=O)[C@@H]1C[C@H]1CN[C@@H]1CC[C@@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000473162533 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]1CN[C@@H]1CC[C@@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000473162594 JK Annotated Anodyne CCOC(=O)[C@H]1C[C@H]1CN[C@@H]1CC[C@@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000473162596 JK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H]1CN[C@@H]1CC[C@@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000473162599 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc12 ZINC000473162857 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)cc12 ZINC000473162858 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=NC[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473164862 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CCN(C)C)CC1 ZINC000473164865 JK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164888 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 ZINC000473164905 JK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164951 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473164966 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 ZINC000473164976 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(F)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164978 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473164983 JK Annotated Anodyne CNC[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473165000 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CCN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473165189 JK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473165296 JK Annotated Anodyne CC1(C)OC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)C[C@@H](O)[C@@H]1O ZINC000473166205 JK Annotated Anodyne CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 ZINC000473166687 JK Annotated Anodyne O=c1c2ccc(Cl)cc2sc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccc3c12 ZINC000473166798 JK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c3cccnc23)cc1 ZINC000473167293 JK Annotated Anodyne CCn1cc(/C=N/Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c2ccccc21 ZINC000473167374 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000473168844 JK Annotated Mild O=c1c2ccc(Cl)cc2sc2c(N3CCN(c4ccccc4)CC3)nc3ccccc3c12 ZINC000473168928 JK Annotated Bother C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000473169190 JK Annotated Reactive Cc1[nH]c2ccccc2c1/C=N/Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000473169300 JK Annotated Mild FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl ZINC000473169333 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(Oc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl ZINC000473170014 JK Annotated Anodyne CCCCc1ccc(NC(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3N(C)c3ccccc3)c(F)c2)cc1 ZINC000473170661 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5ccncc5)cnc4n3)cc2)ccc1Cl ZINC000473170879 JK Annotated Anodyne C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000473171621 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000473171650 JK Annotated Anodyne CCn1cc(/C=N/Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c2ccccc21 ZINC000473171654 JK Annotated Mild FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cccnc5)cnc4n3)cc2)ccc1Cl ZINC000473171694 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H]3OC(CC[C@H](C)CCl)=C(C)[C@@H]32)C1 ZINC000473171726 JK Annotated Reactive CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 ZINC000473172441 JK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(C)C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@@]1(C(=O)C(C)C)C2=O ZINC000473172447 JK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@]1(C(=O)C(C)C)C2=O ZINC000473172449 JK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2O[C@@H](C(C)(C)O)C1 ZINC000473172566 JK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1 ZINC000473172567 JK Annotated Mild CC(C)(O)[C@H]1OC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)C[C@@H]1O ZINC000473172591 JK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1csc(N/N=C/c2c[nH]c3ccccc23)n1 ZINC000473172625 JK Annotated Mild CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473179073 JK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473179109 JK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473179110 JK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN([C@@H]4CC[C@H](CC(=O)O)CC4)CC3)cc12 ZINC000473179335 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473179726 JK Annotated Anodyne CCN(C)C[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1 ZINC000473179742 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473179750 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1C[C@@H](CN(C)C)C1 ZINC000473179753 JK Annotated Anodyne CCN(CC)C[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473179778 JK Annotated Anodyne CC(=O)c1c(C)[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473182976 JK Annotated Anodyne CN(C(=O)c1ccccc1)[C@@H]1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473182995 JK Annotated Anodyne CC(=O)c1c[nH]c2cc(C)c(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473183035 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](C(=O)N(C)C)CC1 ZINC000473183272 JK Annotated Anodyne CCN(C)C[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473183381 JK Annotated Anodyne N[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473194433 JK Annotated Anodyne CCCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473194441 JK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473194449 JK Annotated Anodyne N[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)cc4Cl)cc23)CC1 ZINC000473194474 JK Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473194475 JK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473194488 JK Annotated Anodyne CCCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473194504 JK Annotated Anodyne CCCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473194827 JK Annotated Anodyne N[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473194919 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc4cc(O)ccc4c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473197761 JK Annotated Anodyne CC(=O)c1c[nH]c2cc(F)c(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473198560 JK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3ccc(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N2CCCC2)CC1)C1CC1 ZINC000473200810 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](N(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200819 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](CN=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473200845 JK Annotated Anodyne COc1cc(-c2cc3c(=N[C@@H]4CC[C@@H](N)CC4)c(C(=O)C4CC4)c[nH]c3cc2F)cc(Cl)c1O ZINC000473200857 JK Annotated Anodyne CC(C)CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473200875 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3cc(F)c(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473200943 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473201038 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473201080 JK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473201096 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473201103 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)CC(C)C)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473201198 JK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3cc(F)c(-c4cc(F)c(O)c(F)c4)cc23)CC1 ZINC000473201204 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473201208 JK Annotated Anodyne O=C(Nc1cccc([C@@H](CCN2CCCC2)NC2=NC=N/C=C/CC/C=C/2)c1)C1=C(F)C=CC[C@@H]1F ZINC000473210105 JK Annotated Anodyne O=C(Nc1cccc([C@H](CCN2CCCC2)NC2=NC=N/C=C/CC/C=C/2)c1)C1=C(F)C=CC[C@H]1F ZINC000473210106 JK Annotated Anodyne O=C(Nc1cccc([C@H](CCN2CCCC2)NC2=NC=N/C=C/CC/C=C/2)c1)C1=C(F)C=CC[C@@H]1F ZINC000473210107 JK Annotated Anodyne O=C(Nc1cccc([C@@H](CCN2CCCC2)NC2=NC=N/C=C/CC/C=C/2)c1)C1=C(F)C=CC[C@H]1F ZINC000473210108 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473210204 JK Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccncc5)ccc43)cc2OC)cc1 ZINC000473210212 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1ccc(CCN(C)C)cc1 ZINC000473213467 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473213475 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(CCN(C)C)cc1 ZINC000473213481 JK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 ZINC000473213487 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N1CCC(CCN2CCCC2)CC1 ZINC000473213502 JK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CCN(C)C)CC1 ZINC000473213517 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=Nc4ccc(CCN(C)C)cc4)c3n2)cc(Cl)c1O ZINC000473213531 JK Annotated Anodyne O=C(O)[C@H]1CCCN1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 ZINC000473215161 JK Annotated Anodyne O=C(O)[C@@H]1CCCN1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 ZINC000473215168 JK Annotated Anodyne C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(N4CCC[C@H]4C(=O)O)nc4ccccc41)C3)C2 ZINC000473215251 JK Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1 ZINC000473215260 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN)CC4)c3c2)cc(Cl)c1O ZINC000473215460 JK Annotated Anodyne COc1cnc(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)cn1 ZINC000473215461 JK Annotated Anodyne NC[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473215464 JK Annotated Anodyne NC[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473215475 JK Annotated Anodyne NC[C@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473215476 JK Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(C5=C[C@@]6(C)CCCN5C6)ccc43)cc2OC)cn1 ZINC000473215497 JK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C(C)C)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473215500 JK Annotated Anodyne CN(C)C[C@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473215511 JK Annotated Anodyne c1ccc2c(c1)nc(-c1cnccn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215522 JK Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473215534 JK Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)cc2)ccc1CCCN1C(=O)CCC1=O ZINC000473229028 JK Annotated Anodyne Cc1csc(-c2ccc(-c3n[nH]c4cc(NC(=O)N[C@H](C)c5ccc(F)cc5)ncc34)cn2)n1 ZINC000473233221 JK Annotated Anodyne C[C@@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@]12[C@H]1C(=O)CC(=O)[C@H](C)[C@@]1(C)CC[C@@H]23 ZINC000473235137 JK Annotated Anodyne C[C@@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@@]12[C@H]3CC[C@]1(C)[C@@H](C)C(=O)CC(=O)[C@@H]21 ZINC000473235147 JK Annotated Anodyne C[C@@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@]12[C@H]1C(=O)CC(=O)[C@H](C)[C@@]1(C)CC[C@H]23 ZINC000473235151 JK Annotated Anodyne C[C@@H]1OC[C@@]23CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]2(C)CC[C@]12[C@@H]1C(=O)CC(=O)[C@H](C)[C@@]1(C)CC[C@@H]23 ZINC000473235153 JK Annotated Anodyne FC(F)(F)c1cccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)c1 ZINC000473235184 JK Annotated Anodyne C[C@@H]1[C@H]2c3cc(NCc4ccccc4)ccc3C[C@@H](c3ccc(NCc4ccccc4)cc32)N1CC1CC1 ZINC000473235338 JK Annotated Anodyne c1ccc2c(c1)nc(Cc1cnccn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236377 JK Annotated Anodyne Oc1cc(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)nc(O)n1 ZINC000473236435 JK Annotated Anodyne Cc1nc(C)c(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)s1 ZINC000473236455 JK Annotated Anodyne COc1cnc(-c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)cn1 ZINC000473236461 JK Annotated Anodyne Cc1nc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)n[nH]1 ZINC000473236465 JK Annotated Anodyne O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)N1 ZINC000473236508 JK Annotated Anodyne c1ccc2c(c1)nc(Cc1nn[nH]n1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236516 JK Annotated Anodyne c1ccc2c(c1)nc(C[C@@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236561 JK Annotated Anodyne c1ccc2c(c1)nc(C[C@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236563 JK Annotated Anodyne C[C@@H]1[C@H]2c3cc(Nc4ccccc4)ccc3C[C@@H](c3ccc(Nc4ccccc4)cc32)N1CC1CC1 ZINC000473243798 JK Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CC1 ZINC000473245324 JK Annotated Anodyne Oc1ccc([C@@H]2C(c3cc(O)cc(O)c3)=C(Cc3ccc(F)cc3)c3cc(O)cc(O)c32)cc1 ZINC000473247130 JK Annotated Anodyne Oc1ccc([C@H]2C(c3cc(O)cc(O)c3)=C(Cc3ccc(F)cc3)c3cc(O)cc(O)c32)cc1 ZINC000473247137 JK Annotated Anodyne Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(=O)c1cnoc1C ZINC000473247181 JK Annotated Mild CCN(CC)c1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000473247203 JK Annotated Anodyne COc1cc(-c2nnn3c2CCC[C@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473247233 JK Annotated Anodyne COc1cc(-c2nnn3c2CCC[C@@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473247234 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6CC[C@@H](OC(C)=O)[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000473247507 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@H]3c2ccc(Cl)c(C(F)(F)F)c2)ccc1-c1cnc(C)o1 ZINC000473247516 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@H]3c2ccc(Cl)c(C(F)(F)F)c2)ccc1-c1cnc(C)o1 ZINC000473247517 JK Annotated Anodyne Clc1ccc(Br)cc1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473247529 JK Annotated Anodyne Clc1ccc(Br)cc1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473247530 JK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(C)cccc3F)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)n1 ZINC000473247932 JK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(C)cccc3F)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473247933 JK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(C)cccc3F)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473247934 JK Annotated Anodyne CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F ZINC000473248223 JK Annotated Anodyne O=C(Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473248250 JK Annotated Anodyne Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1NC(=O)c1cnoc1C ZINC000473248656 JK Annotated Anodyne COc1cc(-c2nnc3n2CCO[C@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473248698 JK Annotated Anodyne COc1cc(-c2nnc3n2CCO[C@@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473248710 JK Annotated Anodyne COc1cc(-c2nnc3n2CCC=C3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473249082 JK Annotated Anodyne CCCCOc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000473249093 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](OCCC#N)CCC(=O)[C@H]13 ZINC000473249095 JK Annotated Mild Fc1c(Br)ccc(Cl)c1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249096 JK Annotated Anodyne Fc1c(Br)ccc(Cl)c1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249097 JK Annotated Anodyne Fc1c(Br)ccc(Cl)c1[C@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249098 JK Annotated Anodyne Fc1c(Br)ccc(Cl)c1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249280 JK Annotated Anodyne Fc1ccc(Br)c(Cl)c1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249305 JK Annotated Anodyne Fc1ccc(Br)c(Cl)c1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249307 JK Annotated Anodyne Fc1ccc(Br)c(Cl)c1[C@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249309 JK Annotated Anodyne Fc1ccc(Br)c(Cl)c1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249311 JK Annotated Anodyne O=C(Cn1cc(-c2ccccc2C(F)(F)F)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473249321 JK Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc3ccccc3c1)CC(=O)C[C@@H]2c1ccc2ccccc2c1 ZINC000473249330 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](OC(C)=O)CCC(=O)[C@H]13 ZINC000473249352 JK Annotated Anodyne COc1cc(NC(=O)c2csc(-c3c[nH]c4ccc(Br)cc34)n2)cc(OC)c1OC ZINC000473249393 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cn(CC(=O)Nc3c(C(F)(F)F)n[nH]c3-c3ccccc3)nn2)cc1 ZINC000473249644 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1c(F)cccc1F ZINC000473249912 JK Annotated Anodyne Fc1ccc(Br)c(F)c1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249935 JK Annotated Anodyne Fc1ccc(Br)c(F)c1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249936 JK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000474602102 JK Annotated Bother CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000474602108 JK Annotated Bother C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccccc5[N+](=O)[O-])CCC[C@@]4(C)[C@@H]3CC1)C2 ZINC000474602248 JK Annotated Bother CCCCCCCCCCCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474602556 JK Annotated Mild CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(OC)cc1 ZINC000474604622 JK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(OC)cc1 ZINC000474604628 JK Annotated Anodyne CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)Cc2cccc(C)c2)C(=O)c2ccccc2C1=O ZINC000474604934 JK Annotated Mild COc1cc(-c2nc(CNC(=S)SC)cc3c2[nH]c2ccccc23)cc(OC)c1OC ZINC000474605847 JK Annotated Clean Cn1c2ccccc2c2cc(CNC(=S)SCc3ccccc3)nc(-c3ccc(F)cc3)c21 ZINC000474605953 JK Annotated Clean Cc1ccc(S(=O)(=O)Oc2cc(CCCc3ccc(F)cc3)ccc2CN2CCCCC2)cc1 ZINC000474607045 JK Annotated Anodyne CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000474607056 JK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000474607057 JK Annotated Anodyne COc1cc(-c2nc(CNC(=S)SC)cc3c4ccccc4n(C)c23)cc(OC)c1OC ZINC000474607105 JK Annotated Clean CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 ZINC000474607116 JK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 ZINC000474607124 JK Annotated Anodyne Fc1ccc(-c2nc(CNC(=S)SCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 ZINC000474607984 JK Annotated Clean CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000474607986 JK Annotated Anodyne CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000474607987 JK Annotated Anodyne CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000474607988 JK Annotated Anodyne CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000474607989 JK Annotated Anodyne C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5cccc(Cl)c5)CCC[C@@]4(C)[C@@H]3CC1)C2 ZINC000474608424 JK Annotated Anodyne Cc1nc2ccc(-c3ccnc(Nc4ccc(CN5CCN(C(C)C)CC5)cn4)n3)cc2n1C(C)C ZINC000474608428 JK Annotated Anodyne C=CCSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000474608435 JK Annotated Mild C=CCSC(=S)NCc1cc2c([nH]c3ccccc32)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000474608453 JK Annotated Mild C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccc(Cl)cc5)CCC[C@@]4(C)[C@@H]3CC1)C2 ZINC000474609343 JK Annotated Anodyne COc1ccc(-c2nc(CNC(=S)SCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 ZINC000474609543 JK Annotated Clean C=CCSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000474609681 JK Annotated Mild CC1=C(C/C=C(\C)CC/C=C(\C)Cc2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2C1=O ZINC000474609781 JK Annotated Mild C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)CCC[C@@]4(C)[C@@H]3CC1)C2 ZINC000474609813 JK Annotated Bother O=C(Nc1cc(-c2ccc3[nH]c(=NCC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 ZINC000474609820 JK Annotated Anodyne c1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccccc2c2cnccc21 ZINC000474609857 JK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(Cc4ccc(Cl)cc4)sc3n2)c1 ZINC000474609929 JK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(CCc4ccccc4)sc3n2)c1 ZINC000474609951 JK Annotated Anodyne C=CCSC(=S)NCc1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000474609966 JK Annotated Mild C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccc(Cl)cc4)sc3n2)c1 ZINC000474609967 JK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccc(CC)cc4)sc3n2)c1 ZINC000474609998 JK Annotated Anodyne COc1ccc(-c2nc(CNC(=S)SCc3ccccc3)cc3c4ccccc4n(C)c23)cc1 ZINC000474610024 JK Annotated Clean CCCCCCCCCCCCCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474610043 JK Annotated Mild CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000474610047 JK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000474610048 JK Annotated Anodyne C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5cccc([N+](=O)[O-])c5)CCC[C@@]4(C)[C@@H]3CC1)C2 ZINC000474610057 JK Annotated Bother Fc1cc(CCNc2ncnc3ccsc23)ccc1Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000048998378 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)(C)O ZINC000048998529 JK Annotated Mild CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000048998864 JK Annotated Anodyne in-vitro biogenic CC(C)c1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(C(C)C)cc5)O4)cc3)O2)cc1 ZINC000048998877 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(C(C)C)cc5)O4)cc3)O2)cc1 ZINC000048998879 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(C(C)C)cc5)O4)cc3)O2)cc1 ZINC000048998881 JK Annotated Anodyne N#Cc1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000048999341 JK Annotated Mild C/C(=C/CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000048999599 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(NCc3ccccc3)c2C#N)cc1OC ZINC000048999852 JK Annotated Mild Clc1ccc(C[n+]2cnn(Cc3ccc(Cn4c5ccccc5c5ccccc54)cc3)c2)c(Cl)c1 ZINC000048999882 JK Annotated Anodyne C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000049000280 JK Annotated Mild C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000049000297 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)C=C3)C(C)C ZINC000049000330 JK Annotated Mild in-vitro biogenic O=C(Nc1cncc2[nH]ccc12)N1CC(CCCc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)C1 ZINC000049013639 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(Nc3ncc(CCNc4ncnc5ccsc45)s3)nc2c1 ZINC000049017364 JK Annotated Anodyne C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OCC3CCCC3)O[C@@H](c3ccccc3Br)[C@H]12 ZINC000049021787 JK Annotated Mild C[C@@]12CCC[C@@H](/C1=N\O)[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000049032784 JK Annotated Mild c1ccc2sc(NCCc3ccc(NC4=N[C@H](C5CCCCC5)CCS4)cc3)nc2c1 ZINC000049032960 JK Annotated Anodyne c1ccc2sc(NCCc3ccc(NC4=N[C@@H](C5CCCCC5)CCS4)cc3)nc2c1 ZINC000049032962 JK Annotated Anodyne ClC(Cl)(Cl)[C@@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1Cc1ccccc1 ZINC000049033011 JK Annotated Anodyne ClC(Cl)(Cl)[C@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1Cc1ccccc1 ZINC000049033013 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2OCc1ccccc1 ZINC000049033375 JK Annotated Anodyne CCn1nc(C)c2c1CCN([C@H](C(=O)NC)c1ccccc1)[C@H]2CCc1cccc(C(F)(F)F)c1 ZINC000049033771 JK Annotated Anodyne CCn1nc(C)c2c1CCN([C@H](C(=O)NC)c1ccccc1)[C@@H]2CCc1cccc(C(F)(F)F)c1 ZINC000049033773 JK Annotated Anodyne O=C(/C=C\c1ccccc1Cl)N1CC[C@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@H](F)C1 ZINC000049034179 JK Annotated Anodyne O=C(/C=C\c1ccccc1Cl)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@H](F)C1 ZINC000049034181 JK Annotated Anodyne O=C(/C=C\c1ccccc1Cl)N1CC[C@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049034183 JK Annotated Anodyne O=C(/C=C\c1ccccc1Cl)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049034185 JK Annotated Anodyne CCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049034412 JK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049034416 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)nc3)nc2c1 ZINC000049034531 JK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cn3)nc2c1 ZINC000049034533 JK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049034659 JK Annotated Mild Clc1ccccc1[C@@H]1CCS/C(=N\c2ccc(CCNc3nc4ccccc4s3)cc2)N1 ZINC000049035149 JK Annotated Mild Clc1ccccc1[C@H]1CCS/C(=N\c2ccc(CCNc3nc4ccccc4s3)cc2)N1 ZINC000049035151 JK Annotated Mild CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12)CC(F)(F)F ZINC000049035174 JK Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049035502 JK Annotated Anodyne CCOc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccc(C)cc2)c1C#N ZINC000049035504 JK Annotated Mild Clc1ccc([C@@H]2CCS/C(=N\c3ccc(CCNc4nc5ccccc5s4)cc3)N2)cc1 ZINC000049035722 JK Annotated Mild Clc1ccc([C@H]2CCS/C(=N\c3ccc(CCNc4nc5ccccc5s4)cc3)N2)cc1 ZINC000049035724 JK Annotated Mild Clc1cccc([C@@H]2CCS/C(=N\c3ccc(CCNc4nc5ccccc5s4)cc3)N2)c1 ZINC000049035726 JK Annotated Mild Clc1cccc([C@H]2CCS/C(=N\c3ccc(CCNc4nc5ccccc5s4)cc3)N2)c1 ZINC000049035728 JK Annotated Mild CCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(C)cc2)c(-c2ccccc2)c1C#N ZINC000049036088 JK Annotated Mild CCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(C)cc2)c(-c2ccc(OC)cc2)c1C#N ZINC000049036449 JK Annotated Mild Cc1cn(-c2cc(NC(=O)Nc3ccc(-c4nc5[nH]ncc5[nH]4)c(C)c3)cc(C(F)(F)F)c2)cn1 ZINC000049036475 JK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccccc2Cl)c1C#N ZINC000049036613 JK Annotated Mild CCOc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049036894 JK Annotated Mild ClC(Cl)(Cl)[C@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1CCN1CCOCC1 ZINC000049037571 JK Annotated Anodyne ClC(Cl)(Cl)[C@@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1CCN1CCOCC1 ZINC000049037573 JK Annotated Anodyne CCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049037689 JK Annotated Anodyne O=C1C[C@@H](c2cccc(F)c2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049046811 JK Annotated Anodyne O=C1C[C@H](c2cccc(F)c2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049046815 JK Annotated Anodyne Cc1ccc(NC(=O)CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccs2)c(C)c1 ZINC000049046896 JK Annotated Anodyne CCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccccc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049046936 JK Annotated Mild CCOc1nc(-c2ccc(C)cc2)c(SC2CCCCC2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049047418 JK Annotated Mild O=C1CC2(CCSCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049047477 JK Annotated Anodyne ClC(Cl)(Cl)[C@@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1CCc1ccccc1 ZINC000049047634 JK Annotated Anodyne ClC(Cl)(Cl)[C@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1CCc1ccccc1 ZINC000049047638 JK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)c(Cl)c2Cl)C1 ZINC000049047934 JK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCc3ccc(OC(=O)OCCC(C)(C)C)cc3)ccc2c1 ZINC000049048410 JK Annotated Anodyne Cc1ccc(NC(=O)Nc2c(F)cc(F)c(C)c2F)cc1-c1nc2c(cnn2Cc2ccccc2)[nH]1 ZINC000049049655 JK Annotated Anodyne COc1cccc2c1[nH]c1c([C@@H]3CC[C@H]3c3ncc(OC)c4c3[nH]c3ccccc34)ncc(OC)c12 ZINC000049049960 JK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000049050169 JK Annotated Mild CN1CC[C@@H](N(C)CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)C1 ZINC000049050596 JK Annotated Anodyne CN1CC[C@H](N(C)CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)C1 ZINC000049050600 JK Annotated Anodyne CCO[P@]1(=O)OC(c2ccc(OC)cc2)=C(I)c2ccc(Cl)cc21 ZINC000049050857 JK Annotated Anodyne CCO[P@@]1(=O)OC(c2ccc(OC)cc2)=C(I)c2ccc(Cl)cc21 ZINC000049050861 JK Annotated Anodyne O=C(c1sc2ccccc2c1Cl)n1nc(-c2ccc([N+](=O)[O-])s2)cc1-c1ccccc1 ZINC000049050869 JK Annotated Bother CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(CC(=O)c2ccccc2)c2ccc(Cl)cc21 ZINC000049051467 JK Annotated Anodyne CCO[P@@]1(=O)OC(c2ccc(CC)cc2)=C(CC(=O)c2ccccc2)c2ccc(Cl)cc21 ZINC000049051471 JK Annotated Anodyne COc1ccc(-c2c(C#N)c(OC)nc(-c3ccc(Cl)cc3)c2SC2CCCCC2)cc1 ZINC000049052249 JK Annotated Mild CC(C)Cc1cc(O)c(=O)n(Cc2ccc3ccccc3c2)c1-c1ccnc(Cc2ccccc2)c1 ZINC000049052369 JK Annotated Anodyne O=C(Nc1ccccc1CCc1ccc(Cl)c(Cl)c1)[C@H]1CS(=O)(=O)c2ccccc2C1=O ZINC000049052373 JK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000049053581 JK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(Cl)cc2)cc1 ZINC000049053777 JK Annotated Mild CC(C)Cc1ccc([C@H](C)c2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(Cl)cc2)cc1 ZINC000049053780 JK Annotated Mild COc1cccc2c1[nH]c1c(CC[C@H](OC)c3nccc4c3[nH]c3ccccc34)ncc(OC)c12 ZINC000049054095 JK Annotated Anodyne COc1cccc2c1[nH]c1c(CC[C@@H](OC)c3nccc4c3[nH]c3ccccc34)ncc(OC)c12 ZINC000049054098 JK Annotated Anodyne CCOP(=O)(CCN1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1)OCC ZINC000049054202 JK Annotated Mild Oc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)Cc2cccc3ncccc23)c2cccnc12 ZINC000049054537 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)Cc5cc(C)co5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@H]12 ZINC000049054935 JK Annotated Mild CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)c(Cl)c2Cl)C1 ZINC000049055153 JK Annotated Anodyne O=C1C=CC(=C(c2ccccc2)c2c(C#Cc3ccc(O)cc3)cccc2-c2ccc(O)cc2)C=C1 ZINC000049055574 JK Annotated Mild O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2cccc3c2OCO3)CC1 ZINC000049066892 JK Annotated Anodyne O=C1C=CC(=C(c2ccccc2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)cc2)C=C1 ZINC000049066964 JK Annotated Mild CCn1cnc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C ZINC000049067083 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCC2=O ZINC000049067698 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCC2=O ZINC000049067700 JK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C)n3)CC2)cc1 ZINC000049067733 JK Annotated Clean CCc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C)n3)CC2)cc1 ZINC000049067735 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@]1(C)CC=C2CO[C@H]3C[C@@](C)(OC)O[C@@]23[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000049067737 JK Annotated Anodyne O=C1CC(CSc2nnc(-c3ccncc3)o2)=NN1c1c2ccccc2nc2ccc(Cl)cc12 ZINC000049067924 JK Annotated Clean CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049068075 JK Annotated Reactive CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049068077 JK Annotated Reactive CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049068079 JK Annotated Reactive CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049068081 JK Annotated Reactive COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000049068114 JK Annotated Anodyne CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(I)c2ccc(Cl)cc21 ZINC000049068144 JK Annotated Anodyne CCO[P@@]1(=O)OC(c2ccc(CC)cc2)=C(I)c2ccc(Cl)cc21 ZINC000049068146 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@]1(C)CC=C2CO[C@H]3C[C@](C)(OC)O[C@@]23[C@@H]1/C=C/OC(=O)C=C(C)C ZINC000049068573 JK Annotated Anodyne COc1ccc(CNC(=O)N(c2ccc(Br)cc2)C2CCN(C3CCCC3)CC2)cc1 ZINC000049068674 JK Annotated Anodyne O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1 ZINC000049068676 JK Annotated Anodyne O=C(NCc1ccc(F)cc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1 ZINC000049068678 JK Annotated Anodyne COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)C[C@H]3CCl ZINC000049068724 JK Annotated Reactive Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000049068734 JK Annotated Bother Cc1ccccc1-n1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21 ZINC000049068813 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(C)cccc1C)cc(=O)n2C)c1cncn1C ZINC000049069008 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(C)cccc1C)cc(=O)n2C)c1cncn1C ZINC000049069010 JK Annotated Anodyne CC(C)[C@H](C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000049069438 JK Annotated Anodyne CC(C)[C@H](C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000049069440 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/O[C@@H](C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C ZINC000049069442 JK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)/C=C/O[C@@H](C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C ZINC000049069444 JK Annotated Anodyne Fc1cccc(F)c1Cc1cnc(Nc2ccc(Oc3cccnc3)c(Br)c2)o1 ZINC000049069718 JK Annotated Anodyne COc1ccc(NCCNc2nc(Nc3cc(C(C)(C)C)ccc3C)c3c(ncn3C)n2)cc1 ZINC000049069868 JK Annotated Anodyne CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc32)cc1 ZINC000049070127 JK Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C(/C=C/c1ccc2c(c1)OC(C)(C)[C@@H](OCC=C(C)C)CO2)OC ZINC000049070157 JK Annotated Anodyne Cc1ccc([C@@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NN3CCCCC3)CC2)cc1 ZINC000049070313 JK Annotated Anodyne Cc1ccc([C@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NN3CCCCC3)CC2)cc1 ZINC000049070315 JK Annotated Anodyne CO[C@](C)(CCCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O ZINC000049070513 JK Annotated Anodyne CC(C)=CCC1=C(O[C@@]2(CC=C(C)C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000049070582 JK Annotated Mild CC(C)=CCC1=C(O[C@]2(CC=C(C)C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000049070583 JK Annotated Mild O=C(CCl)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000049070684 JK Annotated Reactive C=CCOc1cc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc(OCC=C)c1Br ZINC000049070695 JK Annotated Mild COC(=O)CCCC[C@@H](CCSC(=O)CCCSC)SC(=O)CCCSC ZINC000049070731 JK Annotated Anodyne COC(=O)CCCC[C@H](CCSC(=O)CCCSC)SC(=O)CCCSC ZINC000049070732 JK Annotated Anodyne Cc1ccc(-c2ccc(O)cc2)c(C(=C2C=CC(=O)C=C2)c2ccccc2)c1C#Cc1ccc(O)cc1 ZINC000049070909 JK Annotated Mild O[C@@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cccc(Cl)c1Cl)C(F)(F)F ZINC000049070987 JK Annotated Anodyne in-vivo O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cccc(Cl)c1Cl)C(F)(F)F ZINC000049070989 JK Annotated Anodyne in-vivo Nc1nc(Nc2ccc(C(F)(F)F)c(F)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000049071607 JK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049071716 JK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049071718 JK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1Nc1nc(-c2ccc(Cc3ccncc3)cc2)nc2ncn(C)c12 ZINC000049071833 JK Annotated Anodyne Cc1cc(N)cc(-c2ccc3[nH]nc(/C=C/c4cccc(CN5CCN(C)CC5)c4)c3c2C)c1 ZINC000049071847 JK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(Cc3ccncc3)CC2)nc2ncn(C)c12 ZINC000049072111 JK Annotated Anodyne CCO[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@@H]1C ZINC000049072213 JK Annotated Anodyne CCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000049072289 JK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(c3ccncc3)CC2)nc2ncn(C)c12 ZINC000049072425 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@H]2c2cccc(OC)c2)cc1 ZINC000049072556 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@@H]2c2cccc(OC)c2)cc1 ZINC000049072558 JK Annotated Anodyne Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3Cc3ccccn3)c2Cl)cc1 ZINC000049072988 JK Annotated Anodyne CCn1cncc1[C@@](OC)(c1ccc(C)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049073183 JK Annotated Anodyne CCn1cncc1[C@](OC)(c1ccc(C)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049073185 JK Annotated Anodyne CC(C)c1cc2c3c(c1OC(=O)CCCc1c[nH]c4ccccc14)OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049073210 JK Annotated Anodyne N[C@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccn2)C1 ZINC000049073222 JK Annotated Anodyne N[C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccn2)C1 ZINC000049073224 JK Annotated Anodyne Nc1nc(Nc2cccc(C(F)(F)F)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000049073252 JK Annotated Anodyne COc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc45)ccc3c2c1 ZINC000049073521 JK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(Oc3ccncc3)CC2)nc2ncn(C)c12 ZINC000049087773 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000049087995 JK Annotated Anodyne C/C(=C/[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000049088169 JK Annotated Anodyne C/C(=C/[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000049088170 JK Annotated Anodyne C/C(=C/[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000049088171 JK Annotated Anodyne C/C(=C/[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000049088172 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000049088474 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3O)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049088478 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3O)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049088479 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049088480 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049088481 JK Annotated Anodyne CC(C)(C)c1ccc(CSc2nc(O)c(I)c(Cc3ccccc3)n2)cc1 ZINC000049088884 JK Annotated Anodyne Oc1nc(SCc2ccc3ccccc3c2)nc(Cc2ccccc2)c1I ZINC000049088885 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C)cc(=O)n2C)c1cncn1C ZINC000049088907 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C)cc(=O)n2C)c1cncn1C ZINC000049088908 JK Annotated Anodyne COc1cc(N2CCN(C3CCN(c4ccc(F)c5c(C)cc(C)nc45)CC3)CC2)c2ncccc2c1 ZINC000049089088 JK Annotated Anodyne FC(F)(F)c1cccc(Nc2nc3ccc(CCNc4ncnc5ccsc45)cc3[nH]2)c1 ZINC000049089147 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@H]2c2ccc(O)cc2)cc1 ZINC000049089581 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000049089582 JK Annotated Anodyne c1ccc(CC[C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 ZINC000049089654 JK Annotated Anodyne c1ccc(CC[C@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 ZINC000049089655 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccc(Cl)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049089806 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccc(Cl)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049089807 JK Annotated Anodyne O=C(O)CCC/C=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1/C=C/C=C/C(=O)NCCc1ccccc1 ZINC000049089816 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@H]2c2ccccc2Cl)cc1 ZINC000049089820 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@@H]2c2ccccc2Cl)cc1 ZINC000049089821 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000049089835 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000049089836 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000049089901 JK Annotated Anodyne COc1ccc([C@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3SC(C(C)=O)=C(C)N32)cc1OC ZINC000049089903 JK Annotated Mild COc1ccc([C@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3SC(C(C)=O)=C(C)N32)cc1OC ZINC000049089904 JK Annotated Mild COc1ccc([C@@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=C3SC(C(C)=O)=C(C)N32)cc1OC ZINC000049089905 JK Annotated Mild COc1ccc([C@@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=C3SC(C(C)=O)=C(C)N32)cc1OC ZINC000049089906 JK Annotated Mild Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccccc3O)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049089912 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccccc3O)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049089913 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000049109330 JK Annotated Mild CSc1cc(C(N)=O)cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c12 ZINC000049109585 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3N=C(c3ccc(O)cc3)/C2=C\Nc2ccc(Cl)cc2)c1 ZINC000049109629 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3N=C(c3ccc(O)cc3)/C2=C\Nc2ccc(Cl)cc2)c1 ZINC000049109631 JK Annotated Anodyne COc1cccc([C@H]2Sc3ccccc3N=C(c3ccc(O)cc3)/C2=C\Nc2ccc(Cl)cc2)c1 ZINC000049109791 JK Annotated Anodyne COc1cccc([C@@H]2Sc3ccccc3N=C(c3ccc(O)cc3)/C2=C\Nc2ccc(Cl)cc2)c1 ZINC000049109793 JK Annotated Anodyne COc1ccc(-n2c(Nc3nc(-c4ccc(Br)cc4)cs3)n[nH]c2=S)cc1 ZINC000049109795 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@H]2c2cccc(OC)c2)cc1 ZINC000049110277 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@@H]2c2cccc(OC)c2)cc1 ZINC000049110279 JK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccccc2)c1C#N ZINC000049110361 JK Annotated Mild CC(C)S(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049110623 JK Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OCc1ccccc1)[C@@H](C)[C@@H](C)C2 ZINC000049110742 JK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccc(Cl)cc2)c1C#N ZINC000049111067 JK Annotated Mild CC(C)c1cccc2c1NC(=O)[C@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCCC2=O ZINC000049111270 JK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CCCCC2=O ZINC000049111272 JK Annotated Anodyne Clc1ccc(OCc2nnc3sc(Oc4ccc(Cl)cc4Cl)nn23)c(Cl)c1 ZINC000049111437 JK Annotated Anodyne CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nnc(S)[nH]3)cc2)n1 ZINC000049111523 JK Annotated Anodyne CC(=O)N[C@@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049112005 JK Annotated Anodyne CC(=O)N[C@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049112006 JK Annotated Anodyne Cc1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1-c1nnc(O)o1 ZINC000049112194 JK Annotated Anodyne O[C@@H](/C(=N/Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1)c1ccccc1 ZINC000049112292 JK Annotated Mild Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccc(O)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049112420 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccc(O)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049112421 JK Annotated Anodyne O=C1Nc2c(ccc3ccccc23)/C1=C\c1cccc(/C=C2/C(=O)Nc3c2ccc2ccccc32)n1 ZINC000049112426 JK Annotated Anodyne COc1ccccc1-n1c(-c2cc(-c3ccncc3)c(N3CCOCC3)s2)nc2ccccc2c1=O ZINC000049112434 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@H]2c2ccccc2Cl)cc1 ZINC000049112438 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@@H]2c2ccccc2Cl)cc1 ZINC000049112439 JK Annotated Anodyne COc1nc(-c2ccccc2)c(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000049112476 JK Annotated Mild COc1ccccc1-n1c(Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]c1=S ZINC000049112587 JK Annotated Anodyne COc1ccc(N2CCCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C)n3)CC2)cc1 ZINC000049112714 JK Annotated Clean CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccccc1 ZINC000049112758 JK Annotated Anodyne Cc1cc(O)cc(Oc2cc(C)c(Cc3ccc([C@](C)(O)CCCC(C)C)c(O)c3)c(O)c2)c1 ZINC000049112963 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@H]2c2ccc(O)cc2)cc1 ZINC000049113038 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@@H]2c2ccc(O)cc2)cc1 ZINC000049113039 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@H]2c2ccccc2O)cc1 ZINC000049113047 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3O[C@@H]2c2ccccc2O)cc1 ZINC000049113048 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@H]1[C@H]1C(=O)c3ccccc3C(=O)[C@H]21 ZINC000049113177 JK Annotated Mild O=C1CCN(c2ccccc2)C[C@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000049113387 JK Annotated Anodyne O=C1CCN(c2ccccc2)C[C@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000049113389 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C)c1)cc(=O)n2C)c1cncn1C ZINC000049113711 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C)c1)cc(=O)n2C)c1cncn1C ZINC000049113713 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C)c1cncn1C ZINC000049113715 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C)c1cncn1C ZINC000049113717 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@]1(C)CC=C2CO[C@H]3C[C@@](C)(OC)O[C@@]23[C@@H]1/C=C\OC(=O)C=C(C)C ZINC000049113953 JK Annotated Anodyne COc1ccc(C(OCCc2c(C)nc(OC)nc2OC)(c2ccccc2)c2ccccc2)cc1 ZINC000049114474 JK Annotated Anodyne CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000049115633 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(C)cc1)cc(=O)n2C)c1cncn1C ZINC000049115637 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(C)cc1)cc(=O)n2C)c1cncn1C ZINC000049115641 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(F)c1)cc(=O)n2C)c1cncn1C ZINC000049115911 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(F)c1)cc(=O)n2C)c1cncn1C ZINC000049115914 JK Annotated Anodyne CCOC(=O)COc1nc(-c2ccc3c(c2)CCCC3)cc(-c2ccc(OC)c(OC)c2)c1C#N ZINC000049116132 JK Annotated Mild CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1F)cc(=O)n2C)c1cncn1C ZINC000049116288 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1F)cc(=O)n2C)c1cncn1C ZINC000049116291 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccccc3Cl)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049116469 JK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccccc3Cl)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049116473 JK Annotated Anodyne Cc1ccc(/N=N/c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 ZINC000049116515 JK Annotated Clean Cc1ccc(/N=N/c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1 ZINC000049116519 JK Annotated Clean Cc1ccc(/N=N/c2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 ZINC000049116523 JK Annotated Clean CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cc(C)cc(C)c1)cc(=O)n2C)c1cncn1C ZINC000049124760 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cc(C)cc(C)c1)cc(=O)n2C)c1cncn1C ZINC000049124763 JK Annotated Anodyne Cc1ccc(/C=N/n2c([C@@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCOCC3)c2=S)cc1 ZINC000049124986 JK Annotated Mild Cc1ccc(/C=N/n2c([C@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCOCC3)c2=S)cc1 ZINC000049124990 JK Annotated Mild CC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000049125544 JK Annotated Anodyne Cc1cccc(-n2c(-c3cc(-c4ccncc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)c1 ZINC000049125748 JK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(F)cc1)cc(=O)n2C)c1cncn1C ZINC000049125940 JK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(F)cc1)cc(=O)n2C)c1cncn1C ZINC000049125944 JK Annotated Anodyne CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc([C@H](OC(C)=O)C(N)=O)cc1 ZINC000049589252 JK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc([C@@H](OC(C)=O)C(N)=O)cc1 ZINC000049589254 JK Annotated Mild CCCCCCC[C@@H]1C[C@H](CC(=O)Nc2ccnc3ccc(OC)cc23)CN1C(=O)OC(C)(C)C ZINC000049605298 JK Annotated Mild CCCCCCC[C@H]1C[C@H](CC(=O)Nc2ccnc3ccc(OC)cc23)CN1C(=O)OC(C)(C)C ZINC000049605299 JK Annotated Mild CCCCCCC[C@@H]1C[C@@H](CC(=O)Nc2ccnc3ccc(OC)cc23)CN1C(=O)OC(C)(C)C ZINC000049605300 JK Annotated Mild CCCCCCC[C@H]1C[C@@H](CC(=O)Nc2ccnc3ccc(OC)cc23)CN1C(=O)OC(C)(C)C ZINC000049605301 JK Annotated Mild Brc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(c3ccccc3)CC1)=N2 ZINC000049605976 JK Annotated Anodyne CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OC[C@@H]4CCCNC4)cc23)[C@@H](CC)C1 ZINC000049626083 JK Annotated Mild CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OC[C@H]4CCCNC4)cc23)[C@@H](CC)C1 ZINC000049626087 JK Annotated Mild CCOC(=O)[C@@H]1C(C2=C(O)c3ccccc3CC2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000049637724 JK Annotated Reactive C=CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(=C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000049678692 JK Annotated Mild CC1=CC(C)(C)n2c(O)c(C3=NC(=S)NC3=O)c3cc(OC(=O)c4cccc5ccccc45)cc1c32 ZINC000049694345 JK Annotated Anodyne CCCCCCCCCCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000049695227 JK Annotated Mild CCCCCCCCCCCCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000049695353 JK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(CO)[C@H]3CC[C@]2(C)[C@@H]2C1=CO[C@H]2OC(C)=O ZINC000049709533 JK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)C(Cl)Cl)c2ncccc2c1 ZINC000049710719 JK Annotated Reactive COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)C(Cl)Cl)c2ncccc2c1 ZINC000049710721 JK Annotated Reactive CCCCCCCC[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)CCOCc1ccccc1 ZINC000049745837 JK Annotated Mild Fc1ccc(CNc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000049746943 JK Annotated Mild COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C ZINC000049757213 JK Annotated Anodyne O=C(NNc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2ccccc12 ZINC000049757248 JK Annotated Reactive C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C ZINC000049757398 JK Annotated Anodyne CCCCCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000049757495 JK Annotated Mild CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O ZINC000049762102 JK Annotated Mild CC(C)[C@@H]1CC=C[C@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr ZINC000049762109 JK Annotated Reactive CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)CC[C@@]3(C)O ZINC000049762205 JK Annotated Reactive BrCc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CBr)OCO3 ZINC000049766849 JK Annotated Reactive O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC000049766912 JK Annotated Reactive CCCCCCCCCCCCCCCCNC[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049767319 JK Annotated Mild CCCCCCCCCCCCCCCCNC[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049767320 JK Annotated Mild CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049767829 JK Annotated Mild CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049767831 JK Annotated Mild CCCCCCC[C@@H]1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000049771146 JK Annotated Mild CCCCCCC[C@H]1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000049771147 JK Annotated Mild CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C ZINC000049771186 JK Annotated Anodyne in-vitro biogenic C=C1OC(=O)/C(=C/CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@@H]1O ZINC000049771202 JK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C[C@@H](O)[C@]12C ZINC000049771286 JK Annotated Anodyne in-vitro biogenic C=C1OC(=O)/C(=C\CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@@H]1O ZINC000049771346 JK Annotated Mild C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000049775126 JK Annotated Anodyne C=C(C)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)OO ZINC000049775332 JK Annotated Mild C=C(C)[C@@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)OO ZINC000049775435 JK Annotated Mild C[C@@H]1C[C@H]2O[C@@]3(C[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000049777609 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5=C(C[C@]4(C)[C@H]3CC[C@]12C)[C@@H](c1ccccc1)OC(N)=C5C#N ZINC000049777753 JK Annotated Reactive CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5=C(C[C@]4(C)[C@H]3CC[C@]12C)[C@H](c1ccccc1)OC(N)=C5C#N ZINC000049777754 JK Annotated Reactive C=C(C)[C@H](CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)OO ZINC000049777860 JK Annotated Mild O=C(Nc1ccccc1CCc1ccc(Cl)c(Cl)c1)C1=C(O)c2ccccc2S(=O)(=O)C1 ZINC000049778042 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)Cc5cc(C)co5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000049780369 JK Annotated Mild O=S(=O)(Oc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1)C(F)(F)F ZINC000049780708 JK Annotated Unstable CSc1ccc(-c2csc(C3=C(C)[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)OO[C@@]45[C@H](O3)O6)n2)cc1 ZINC000049783757 JK Annotated Reactive CCCCCCCCCCCC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049783804 JK Annotated Mild CCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000049783833 JK Annotated Mild O=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1c(Cl)cccc1Cl ZINC000049783861 JK Annotated Anodyne O=c1c(Br)c(OCc2c(F)cc(F)cc2F)cnn1-c1c(Cl)cccc1Cl ZINC000049783862 JK Annotated Anodyne O=c1c(Br)c(OCc2ccc(F)c(F)c2F)cnn1-c1c(Cl)cccc1Cl ZINC000049783863 JK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc(F)cc1)C2=O ZINC000049783978 JK Annotated Mild CCSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(Br)cc2)O1 ZINC000049784236 JK Annotated Anodyne CC(C)=CC/C=C(/C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000049784326 JK Annotated Anodyne CCCCCCCCCCCCCCN1CCN(C(=O)Nc2ccc(Cc3noc(=O)[nH]3)cc2)CC1 ZINC000049784958 JK Annotated Mild O=c1c(Br)c(OCc2ccc(Cl)cc2F)cnn1-c1c(Cl)cccc1Cl ZINC000049784992 JK Annotated Anodyne COc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc32)cc1 ZINC000049785023 JK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1)C2=O ZINC000049785490 JK Annotated Mild COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@H]2c2ccc(Cl)cc2)cc1 ZINC000049785942 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000049785943 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@H]2c2ccccc2O)cc1 ZINC000049792453 JK Annotated Anodyne COc1ccc(N/C=C2\C(c3ccc(O)cc3)=Nc3ccccc3S[C@@H]2c2ccccc2O)cc1 ZINC000049792454 JK Annotated Anodyne COc1nc(-c2ccccc2)c(Sc2ccc(Cl)cc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049792615 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049792650 JK Annotated Mild CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(NCc3ccccc3)c2C#N)cc1 ZINC000049792704 JK Annotated Mild C=C[C@@]1(C)COC(=O)[C@]12O[C@@]1(c3ccccc3)[C@@H]3C(C)=CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H]3[C@H]1C2=O ZINC000049792840 JK Annotated Mild CC(C)(Oc1ccc([C@H](/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)cc1)C(=O)O ZINC000049792894 JK Annotated Clean CC(C)(Oc1ccc([C@@H](/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)cc1)C(=O)O ZINC000049792895 JK Annotated Clean CO[C@H]1C=C2[C@@H](CC[C@H](O)[C@]2(C)CO)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]3(C)[C@H]12 ZINC000049793204 JK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1F)C2=O ZINC000049793217 JK Annotated Mild CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 ZINC000049793388 JK Annotated Reactive CC(=O)O[C@H]1C[C@@](C)(Cl)[C@H](Br)C[C@@H]1[C@@]1(C)CC[C@H](Br)C(C)(C)O1 ZINC000049793813 JK Annotated Reactive O=C(OCc1ccccc1)c1coc(-c2ccccc2P(=O)(c2ccccc2)c2ccccc2)n1 ZINC000049793861 JK Annotated Reactive CCCCCCCCSC1=CC(=O)C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)=CC1=O ZINC000049793913 JK Annotated Mild COc1ccc(-c2c(C#N)c(OC)nc(-c3ccc(Cl)cc3)c2Sc2ccc(Cl)cc2)cc1 ZINC000049793969 JK Annotated Mild CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000049799678 JK Annotated Anodyne CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000049799679 JK Annotated Anodyne O=C(N/N=C/c1cccnc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 ZINC000049802551 JK Annotated Reactive CC(=O)Nc1cc(C(=O)NCc2cc(F)cc(Cl)c2)ccc1Sc1ccc(Cl)cc1 ZINC000049802570 JK Annotated Anodyne COc1ccc(/C=N/NC(=O)c2ccc(N3C(=O)c4ccccc4NC34CCCCC4)cc2)cc1 ZINC000049802683 JK Annotated Reactive CCCN(CCCc1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1 ZINC000049802874 JK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(N)=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049803178 JK Annotated Anodyne C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000049803233 JK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc(-c4cc(-c5ccccc5)[nH]c(=S)n4)cc3)c2c1 ZINC000049803243 JK Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1c2ccccc2Sc2ccccc21 ZINC000049803363 JK Annotated Anodyne Cn1c(-c2cn(C)c3cc(Br)ccc23)cnc1-c1cn(C)c2cc(Br)ccc12 ZINC000049803379 JK Annotated Anodyne C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000049803515 JK Annotated Reactive Cc1ccc(Nc2nc(N/N=C/c3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000049803618 JK Annotated Mild O=c1cc(COc2ccc(-c3cc(-c4ccccc4)nc(=S)[nH]3)cc2)c2c(ccc3ccccc32)o1 ZINC000049803652 JK Annotated Bother CCn1c2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 ZINC000049807610 JK Annotated Anodyne CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000049807617 JK Annotated Anodyne CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 ZINC000049807618 JK Annotated Anodyne CC(=O)N1N=C(c2ccc(N3C(=O)c4ccccc4NC34CCCCC4)cc2)C[C@H]1c1ccco1 ZINC000049807652 JK Annotated Anodyne CC(=O)N1N=C(c2ccc(N3C(=O)c4ccccc4NC34CCCCC4)cc2)C[C@@H]1c1ccco1 ZINC000049807653 JK Annotated Anodyne CCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C ZINC000049807745 JK Annotated Mild O=c1cc(COc2ccc(-c3cc(-c4ccccc4)nc(=S)[nH]3)cc2)c2cc(Cl)ccc2o1 ZINC000049807750 JK Annotated Anodyne O=C(NCCSCc1cccc(I)c1)c1c(Cl)cccc1Cl ZINC000049807932 JK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4ccc5cccc6ccc3c4c56)C[C@H]1C=N2 ZINC000049808076 JK Annotated Bother O=C(c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1)n1c(=S)[nH]c2ccccc21 ZINC000049808131 JK Annotated Anodyne CCCN(CCCc1ccc(F)cc1)Cc1ccc(N=[N+]=[N-])c(I)c1 ZINC000049808237 JK Annotated Mild CC(C)C(=O)CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C ZINC000049808368 JK Annotated Anodyne COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000049808458 JK Annotated Bother COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000049808459 JK Annotated Bother COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000049808461 JK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc4c3Sc3ccccc3S4)C[C@H]1C=N2 ZINC000049808537 JK Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 ZINC000049867348 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)N1CCc2cc(OC)c(OC)c3nccc1c23 ZINC000049867363 JK Annotated Mild C=C1C[C@H]2C(=CC[C@H]3C(C)(C)[C@H](OC(C)=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@H]12 ZINC000049867506 JK Annotated Mild C=C1C[C@H]2C(=CC[C@H]3C(C)(C)[C@H](OC(C)=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@H]12 ZINC000049867508 JK Annotated Mild CC1=C(/C=C/[C@@H](C)[C@H]2CC[C@H]3C4=CC[C@H]5[C@H](O)[C@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)CCN(C)C1 ZINC000049872136 JK Annotated Anodyne O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cnccc1C(F)(F)F ZINC000049872144 JK Annotated Mild CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000049872153 JK Annotated Mild CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000049872199 JK Annotated Mild CC(=O)/C=C\C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000049872224 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]56CO[C@@](O)(CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)[C@@H]6C ZINC000049872290 JK Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)OC)OC)OC ZINC000049872293 JK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](OC=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000049872294 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C ZINC000049872350 JK Annotated Anodyne in-man endogenous CC(C)[C@@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049872445 JK Annotated Anodyne CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000049872491 JK Annotated Anodyne CCCCCCCCCS/C=C(/C)n1c(C(=O)c2ccc(Br)cc2)noc1=O ZINC000049877397 JK Annotated Mild CC(C)=C1CC[N+]([O-])=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049877415 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000049877837 JK Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CC(=O)CC(=O)OC)OC ZINC000049878014 JK Annotated Mild CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@]32C)C(C)C ZINC000049878116 JK Annotated Anodyne C=C1[C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000049878204 JK Annotated Mild CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](OC)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000049878410 JK Annotated Anodyne C/C(C(=O)/C=C/C(C)=C/C=C/C(C)(C)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000049878427 JK Annotated Mild CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(CCCl)[C@H]1[C@H]2C ZINC000049878447 JK Annotated Reactive CC(=O)N1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CCC4=CC(=O)CC[C@@]43C)[C@H](C)[C@@H]21 ZINC000049878494 JK Annotated Mild COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)C[C@@H](C(C)(C)OO)Oc1cc(O)ccc1-3 ZINC000049881394 JK Annotated Reactive in-vitro biogenic COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)C[C@H](C(C)(C)OO)Oc1cc(O)ccc1-3 ZINC000049881395 JK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@@H](c1ccc2ccccc2c1)c1cnc(SC)o1 ZINC000049881622 JK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1ccc2ccccc2c1)c1cnc(SC)o1 ZINC000049881623 JK Annotated Mild CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)C(C)C ZINC000049881712 JK Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)c1cccc(C)c1O)OC ZINC000049881747 JK Annotated Mild CCC[C@@H]1C[C@@]1(CCC)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000049881803 JK Annotated Reactive CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000049881805 JK Annotated Reactive CCC/C=C(\CCC)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000049881887 JK Annotated Reactive CCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000049881888 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 ZINC000049888682 JK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(Nc3ccc(F)cc3)CC2)OO1 ZINC000049888683 JK Annotated Reactive CCCCCCCCCCCCN1C(=O)CSC12CCC(C(=O)[C@H](N)Cc1ccccc1)CC2 ZINC000049888700 JK Annotated Mild CCCCCCCCCCCCN1C(=O)CSC12CCC(C(=O)[C@@H](N)Cc1ccccc1)CC2 ZINC000049888701 JK Annotated Mild CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1c(C(C)C)cccc1C(C)C ZINC000049916584 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049918282 JK Annotated Anodyne COC(=O)C[C@@H]1c2ccccc2N/C(=N\c2ccc(-c3ccccc3)cc2)N1CCCCCN ZINC000049933040 JK Annotated Mild COC(=O)C[C@H]1c2ccccc2N/C(=N\c2ccc(-c3ccccc3)cc2)N1CCCCCN ZINC000049933041 JK Annotated Mild CO[C@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]41C)[C@@H]2CC[C@H](O)C3(C)C ZINC000049949652 JK Annotated Anodyne CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]41C)[C@@H]2CC[C@H](O)C3(C)C ZINC000049949653 JK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1 ZINC000000582239 JK Annotated Mild Brc1ccc2c(-c3csc(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 ZINC000000582246 JK Annotated Anodyne CN1CC=C(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc23)CC1 ZINC000000582559 JK Annotated Anodyne C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000000588094 JK Annotated Mild CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)nc(O)c12 ZINC000000588466 JK Annotated Anodyne O=C(NO)c1c(OCCS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12 ZINC000000588926 JK Annotated Anodyne O=C(NO)c1c(CCS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12 ZINC000000588929 JK Annotated Anodyne Cc1c(/C=C/CN(C)C)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000000591631 JK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCCC(=O)O)c(Cl)c1Cl ZINC000000593741 JK Annotated Anodyne CC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2ccccc2Br)c2ccccc12 ZINC000000594574 JK Annotated Anodyne CN(C)CCN(C(=O)Nc1ccc(C(F)(F)F)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000000595363 JK Annotated Mild Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 ZINC000000597684 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000000600325 JK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1 ZINC000000601006 JK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(C)c3ccc(Br)cc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000601024 JK Annotated Anodyne CCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12 ZINC000000603089 JK Annotated Anodyne O=C(Oc1c2c(c(OC(=O)c3ccccc3)c3cc(Cl)ccc13)OCCO2)c1ccccc1 ZINC000000603460 JK Annotated Anodyne COc1cc2cc(C)c(C(C)=O)c(O)c2c(O)c1-c1c(OC)cc2cc(C)c(C(C)=O)c(O)c2c1O ZINC000000603675 JK Annotated Anodyne Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn4c3N(CCCC4)C(=O)C2)cc1 ZINC000000604406 JK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)ccc1O ZINC000000702466 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)ccc1O ZINC000000702467 JK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H](c2ccc(F)cc2)/C1=C(\O)OC(C)C ZINC000000708162 JK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H](c2ccc(F)cc2)/C1=C(\O)OC(C)C ZINC000000708163 JK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H](c2ccc(F)cc2)/C1=C(\O)OC(C)C ZINC000000708165 JK Annotated Mild CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc(Br)c1O ZINC000000729433 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc(Br)c1O ZINC000000729434 JK Annotated Anodyne O=c1c2sc(=S)n(-c3ccccc3)c2nc(SCc2ccncc2)n1-c1ccccc1 ZINC000000755438 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756205 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756206 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000756209 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000756210 JK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758433 JK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758434 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758453 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758454 JK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758631 JK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758632 JK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000758633 JK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000758634 JK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758635 JK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758636 JK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758639 JK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758640 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760079 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760080 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760083 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760084 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760085 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760086 JK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760087 JK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760088 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760155 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760156 JK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000760185 JK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000760186 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000760187 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000760188 JK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000760205 JK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000760206 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000760207 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000760208 JK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000760209 JK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000760210 JK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000760359 JK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000760360 JK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000760361 JK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000760362 JK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760608 JK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760609 JK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760610 JK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760611 JK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760628 JK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760629 JK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760630 JK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760631 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763063 JK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763064 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763087 JK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763092 JK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763093 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763121 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763122 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763123 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763124 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763125 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763126 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763127 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763128 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763129 JK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763130 JK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763131 JK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763132 JK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763335 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000767024 JK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000767025 JK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000767115 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000000767157 JK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000000767300 JK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000000767301 JK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000000767308 JK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000000767309 JK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000000767665 JK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000000767666 JK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000767782 JK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000767783 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000000768251 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000000768647 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000000768649 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000768694 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc1 ZINC000000768950 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc1 ZINC000000768952 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000000768978 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000000768980 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000000769189 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000000769190 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000000769216 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000000769218 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000769258 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000769339 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000769341 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000000769909 JK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000000769911 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770502 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770503 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000770518 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000770519 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770548 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770550 JK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000770623 JK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000770628 JK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000770629 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000770630 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000770710 JK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000770741 JK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000770742 JK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000770743 JK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000770744 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000770792 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000000770905 JK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771100 JK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771101 JK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771102 JK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771103 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771104 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771105 JK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771132 JK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771133 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771136 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771137 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771144 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000771145 JK Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000771147 JK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771236 JK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771237 JK Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000000771338 JK Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000000771339 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000771416 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000771418 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771543 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771544 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000000771594 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000000771596 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771598 JK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000771608 JK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000771609 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1N ZINC000000771678 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1N ZINC000000771680 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771682 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccsc2)ccc1OC ZINC000000771710 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000000771712 JK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccccc2F)c1 ZINC000000771886 JK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccccc2F)c1 ZINC000000771887 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000000772125 JK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000000772127 JK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000772169 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc1 ZINC000000772423 JK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc1 ZINC000000772425 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000000772451 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000000772453 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000000772660 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000000772661 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000000772687 JK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000000772689 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000772729 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000772810 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000772812 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000772814 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000773026 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773028 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773030 JK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000000773172 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000773327 JK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773329 JK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000773331 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773351 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773352 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773353 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773354 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)c(OC)c1OC ZINC000000773357 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)c(OC)c1OC ZINC000000773358 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773377 JK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000000773385 JK Annotated Bother CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(OC)c1OC ZINC000000773474 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773480 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773481 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773482 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773483 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000000773512 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000000773513 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000000773554 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000000773555 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000000773556 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000000773557 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2cccc(OC)c2OC)c1 ZINC000000773609 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773627 JK Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773628 JK Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F ZINC000000773635 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F ZINC000000773636 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000773644 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000000773651 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)c1 ZINC000000773652 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000000773653 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000773655 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000773657 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)c1OC ZINC000000773673 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)c1 ZINC000000773674 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)cc(OC)c1 ZINC000000773675 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000773695 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000000773697 JK Annotated Anodyne COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000773699 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccccc2OC)cc(OC)c1 ZINC000000773701 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccccc2OC)cc1 ZINC000000773702 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000773721 JK Annotated Anodyne COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000773752 JK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NC(C)C)cc1OC ZINC000000773754 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)ccc1OC ZINC000000773779 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)cc1OC ZINC000000773825 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)C)cc1OC ZINC000000773840 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCc1cccc(OC)c1OC ZINC000000774031 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000000774037 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000000774038 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000000774039 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000000774040 JK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000000774061 JK Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000000774127 JK Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000774246 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCc1ccccc1OC ZINC000000774300 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)N[C@H](C)C(C)C)cc1 ZINC000000774346 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)N[C@@H](C)C(C)C)cc1 ZINC000000774347 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccccc2OC)cc1 ZINC000000774391 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCC(C)C)cc1 ZINC000000774446 JK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCC(C)C)cc1 ZINC000000774454 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC2CCCCC2)c(OC)c1OC ZINC000000774519 JK Annotated Anodyne O=C(NC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774535 JK Annotated Bother O=C(NCC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774536 JK Annotated Bother O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774597 JK Annotated Bother O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774598 JK Annotated Bother O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774599 JK Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774600 JK Annotated Bother CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000774618 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000774619 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000774640 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000774641 JK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccsc2)c1OC ZINC000000774689 JK Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000774729 JK Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000774730 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774735 JK Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774736 JK Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774737 JK Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774738 JK Annotated Bother COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccsc2)c1OC ZINC000000774768 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2Cl)noc1-c1ccoc1 ZINC000000774781 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccoc2)c1OC ZINC000000774782 JK Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774812 JK Annotated Bother CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774813 JK Annotated Bother O=C(NCc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774815 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000000774818 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000000774819 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000774821 JK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccoc2)ccc1OC ZINC000000774838 JK Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774880 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000774883 JK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccoc2)cc1OC ZINC000000774906 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000774937 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000774938 JK Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000774939 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000774940 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)c(OC)c1OC ZINC000000774943 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)c(OC)c1OC ZINC000000774944 JK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774963 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000000774970 JK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000000774971 JK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCC2)cc1OC ZINC000000774976 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NC1CCCC1 ZINC000000774985 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1cccc(OC)c1OC ZINC000000775060 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775066 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775067 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775068 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775069 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000775087 JK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000775088 JK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000000775140 JK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000000775141 JK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000000775142 JK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000000775143 JK Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1cccc(OC)c1OC ZINC000000775205 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775213 JK Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775214 JK Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775221 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775222 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000775230 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000775232 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000000775237 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)c1 ZINC000000775238 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000000775239 JK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000775243 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)c1OC ZINC000000775259 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)c1 ZINC000000775260 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)cc(OC)c1 ZINC000000775261 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000775281 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000000775283 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2OC)cc(OC)c1 ZINC000000775287 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2OC)cc1 ZINC000000775288 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000775307 JK Annotated Anodyne COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000775337 JK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)cc1OC ZINC000000775340 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)ccc1OC ZINC000000775346 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)ccc1OC ZINC000000775365 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2OC)ccc1OC ZINC000000775381 JK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000775398 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)cc1OC ZINC000000775411 JK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)C)cc1OC ZINC000000775427 JK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000000775458 JK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCc1ccc(F)cc1 ZINC000000775491 JK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NC2CCCC2)cc1OC ZINC000000775536 JK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NC2CCCCC2)cc1OC ZINC000000775537 JK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCC2CCCCC2)cc1OC ZINC000000775538 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCc1ccc(F)cc1 ZINC000000775549 JK Annotated Anodyne COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)c1OC ZINC000000775649 JK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000000775650 JK Annotated Anodyne COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000000775800 JK Annotated Bother CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000775820 JK Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000775822 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000000775831 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000000775835 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)c1 ZINC000000775836 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000000775837 JK Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000775839 JK Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000775841 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(F)cc2Cl)c1OC ZINC000000775888 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(F)cc2Cl)c1 ZINC000000775889 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(F)cc2Cl)cc(OC)c1 ZINC000000775890 JK Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000775900 JK Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2cc(OC)cc(OC)c2)c1 ZINC000000775902 JK Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000000775913 JK Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000775914 JK Annotated Bother COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)c1OC ZINC000000775917 JK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)c1 ZINC000000775918 JK Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)cc(OC)c1 ZINC000000775919 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2OCC)ccc1OC ZINC000000775930 JK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCc1ccccc1F ZINC000000775937 JK Annotated Anodyne COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F ZINC000000775940 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000000775942 JK Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000000775956 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000775974 JK Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)cc1OC ZINC000000775982 JK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000000775983 JK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2)cc1OC ZINC000000775985 JK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCc1ccccc1F ZINC000000775992 JK Annotated Anodyne COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775998 JK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776043 JK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776044 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776127 JK Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000000776221 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2OC)ccc1OC ZINC000000776229 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)cc1OC ZINC000000776275 JK Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000000776281 JK Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCC(C)C)cc1OC ZINC000000776293 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(F)cc2Cl)cc1OC ZINC000000776318 JK Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000000776329 JK Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)cc1OC ZINC000000776345 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000776507 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776531 JK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776532 JK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000776601 JK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000776602 JK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000776603 JK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000776604 JK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000000776605 JK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000000776606 JK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000776637 JK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000776638 JK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000776641 JK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000776642 JK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000776661 JK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000776662 JK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776717 JK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776718 JK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776719 JK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776720 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000000776839 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000000776840 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)cc2OC)cc1 ZINC000000776847 JK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccc(OC)cc2OC)cc1 ZINC000000776906 JK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2ccccc2F)c(OC)c1 ZINC000000776959 JK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776995 JK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776996 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)cc2OC)cc1 ZINC000000777003 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000777083 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000777084 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000777085 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000777086 JK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777153 JK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777154 JK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777155 JK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777156 JK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777157 JK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777158 JK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777159 JK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777160 JK Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777161 JK Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777162 JK Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777163 JK Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000777164 JK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)cc2OC)cc1 ZINC000000777226 JK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)cc2OC)ccc1OC ZINC000000777234 JK Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000777618 JK Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000777619 JK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789143 JK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789144 JK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789145 JK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789146 JK Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789155 JK Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789156 JK Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789157 JK Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789158 JK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789557 JK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789558 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789560 JK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789562 JK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789643 JK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789644 JK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789646 JK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789647 JK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789705 JK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789707 JK Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000789711 JK Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000789713 JK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789861 JK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789863 JK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000000790251 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000000790754 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790836 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790837 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790839 JK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790840 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000791029 JK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3ccco3)C2)c1 ZINC000000792259 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000000801133 JK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000000801135 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000000801136 JK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OCC(C)C)[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 ZINC000000801137 JK Annotated Anodyne COc1ccccc1CN(C)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C ZINC000000833918 JK Annotated Anodyne O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000000838562 JK Annotated Anodyne O=S(c1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCCl)CCCl)cc1 ZINC000000841229 JK Annotated Reactive CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC)ccc1O ZINC000000847721 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC)ccc1O ZINC000000847722 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC)ccc1O ZINC000000847723 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC)ccc1O ZINC000000847724 JK Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000000891947 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)ccc1O ZINC000000959848 JK Annotated Anodyne CN1C(=O)COc2ccc(C(=O)c3oc4ccccc4c3-c3cnc4c(c3)COc3ccccc3-4)cc21 ZINC000000990138 JK Annotated Anodyne aggregator COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)c(C)ccc12 ZINC000005008976 JK Annotated Clean COc1ccc(OC)c2c([C@H](O)CNC34CC5CC(CC(C5)C3)C4)cc(-c3ccc(Cl)cc3)nc12 ZINC000005105939 JK Annotated Anodyne CNCCc1c([C@H]2[C@H]3[C@H](C=C(C)CC3(C)C)c3c(CCNC)c4ccccc4n32)[nH]c2ccccc12 ZINC000005390418 JK Annotated Anodyne COc1oc([C@@H]2C/C(=C/C(C)=C/C(C)=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C ZINC000005437261 JK Annotated Bother in-vitro CCCCNC(=O)OCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 ZINC000005486921 JK Annotated Bother FC(F)(F)c1ccc(/C=C\c2cncnc2Nc2ccc3nc(Cc4ccccc4)[nH]c3c2)cc1 ZINC000051024013 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000523041643 JK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042102 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042107 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042108 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042111 JK Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C3[C@H]4C=C(C)[C@]3(C[C@H]12)C[C@]41C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000523042260 JK Annotated Mild biogenic C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(=O)[C@H](C)CC)CC[C@@]45C[C@@]35CC[C@@]21C)C(C)C ZINC000523042397 JK Annotated Mild biogenic c1cc2nc(c1)c1cccc(n1)c1cccc(n1)c1cccc(n1)c1cccc(n1)c1cccc2n1 ZINC000052541572 JK Annotated Bother in-vitro O=C(CCc1ccncc1)[C@@H](Nc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000052595014 JK Annotated Anodyne O=C(CCc1ccncc1)[C@H](Nc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000052595017 JK Annotated Anodyne O=C(CCc1ccncc1)[C@@H](Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F ZINC000052595144 JK Annotated Anodyne O=C(CCc1ccncc1)[C@H](Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F ZINC000052595148 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3cccnc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000052596990 JK Annotated Mild CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000052968932 JK Annotated Anodyne in-vivo CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCc4ccccc4)[C@H]2N3C)cc1 ZINC000052968935 JK Annotated Anodyne in-vivo Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C3CCCC3)CC2=O)c(C(C)(C)C)cc1N ZINC000052972253 JK Annotated Mild CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CCN(C)CC2 ZINC000052988078 JK Annotated Anodyne CO[C@]1([C@@H]2OC2(C)C)C[C@@H](C)[C@@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]56C[C@]46CC[C@]23C)O1 ZINC000525915192 JK Annotated Anodyne CO[C@]1([C@@H]2OC2(C)C)C[C@@H](C)[C@@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@]46CC[C@]23C)O1 ZINC000525915196 JK Annotated Anodyne CO[C@]1([C@@H]2OC2(C)C)C[C@@H](C)[C@@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]56C[C@@]46CC[C@]23C)O1 ZINC000525915197 JK Annotated Anodyne CO[C@]1([C@@H]2OC2(C)C)C[C@@H](C)[C@@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000525915198 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]56C[C@]46CC[C@]3(C)[C@H]12 ZINC000525915222 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]56C[C@@]46CC[C@]3(C)[C@@H]12 ZINC000525915223 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]56C[C@@]46CC[C@]3(C)[C@H]12 ZINC000525915224 JK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]56C[C@]46CC[C@]3(C)[C@@H]12 ZINC000525915225 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3cncnc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000053150590 JK Annotated Mild CCCCCCNc1ccc(Nc2c3ccc(N(C)C)cc3nc3cc(N(C)C)ccc23)cc1 ZINC000053151290 JK Annotated Clean C=C(C)[C@@H]1C[C@]2(CC=C(C)C)CC(=O)[C@@H](C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C ZINC000053174598 JK Annotated Mild COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)ccc4Cl)n3)CC2(C)C)cc1 ZINC000053175189 JK Annotated Clean CCOc1cc(C)c(Nc2ccnc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)cc1C ZINC000053184379 JK Annotated Clean CCOc1cc(C)c(Nc2ccnc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)cc1C(C)C ZINC000053184385 JK Annotated Clean COc1ccc(N2CCN(c3nccc(Nc4cc(-c5ccccc5)ccc4C)n3)CC2(C)C)cc1 ZINC000053184465 JK Annotated Clean COc1ccc(N2CCN(c3nc(CO)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053184472 JK Annotated Clean CCN(CC)c1cc(C)c(Nc2ccnc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)cc1C ZINC000053193306 JK Annotated Clean O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1C1CCCCC1)C(F)(F)F ZINC000053194142 JK Annotated Anodyne COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053199537 JK Annotated Clean COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)cc1 ZINC000053224455 JK Annotated Bother FC(F)(F)Oc1ccc(Oc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)ncn2)cc1 ZINC000053226599 JK Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O ZINC000053226716 JK Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O ZINC000053226718 JK Annotated Anodyne O=C(N/N=C(/c1ccccc1)c1ccc(O)cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000053229231 JK Annotated Reactive O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(/C=C\c2ccccc2)cc1 ZINC000053230383 JK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4[nH]ccc4n3)CC2(C)C)cc1 ZINC000053239432 JK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4nc[nH]c4n3)CC2(C)C)cc1 ZINC000053239477 JK Annotated Clean N#Cc1ccc(-c2nc(Nc3cccc4c3C[C@H](O)CC4)oc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000053242973 JK Annotated Mild N#Cc1ccc(-c2nc(Nc3cccc4c3C[C@@H](O)CC4)oc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000053242975 JK Annotated Mild CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COCc1ccc(C(F)(F)F)cc1)[C@@]2(C)CCC1=CCOC1=O ZINC000053243285 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1SC(Cl)(Cl)Cl)c1cc(Cl)sc1Cl ZINC000053243399 JK Annotated Anodyne C[C@H](CCOC(=O)c1ccc(Br)cc1)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000053243833 JK Annotated Anodyne CN(C)c1ccc([C@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 ZINC000053243916 JK Annotated Clean CN(C)c1ccc([C@@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 ZINC000053243918 JK Annotated Clean CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000053246861 JK Annotated Bother CCN(CC)c1ccc(Nc2cc(N(CCCN(C)C)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053274859 JK Annotated Anodyne COC(=O)CC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000053275176 JK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)ncn2)cc1 ZINC000053276479 JK Annotated Anodyne Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1Nc1nccn1-c1cccc(C(F)(F)F)c1 ZINC000053276525 JK Annotated Anodyne O=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)oc2ccccc12 ZINC000053281540 JK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053293400 JK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053293403 JK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053293407 JK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053293409 JK Annotated Reactive CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 ZINC000053294233 JK Annotated Reactive CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 ZINC000053294237 JK Annotated Reactive CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 ZINC000053294239 JK Annotated Reactive CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 ZINC000053294242 JK Annotated Reactive CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COC(=O)OCc1ccccc1)[C@@]2(C)CCC1=CCOC1=O ZINC000053294268 JK Annotated Mild O=C(NN=C(c1ccccc1)c1ccccc1)Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000053294913 JK Annotated Reactive O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000053294920 JK Annotated Anodyne CN(C)c1ccc([C@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 ZINC000053294949 JK Annotated Clean CN(C)c1ccc([C@@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)cc1 ZINC000053294953 JK Annotated Clean CN(c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1)c1nccn1-c1cccc(C(F)(F)F)c1 ZINC000053295312 JK Annotated Anodyne C[C@H](C(=O)NCC1CCCCC1)c1cccc([C@H](OC(=O)NCC2CCCCC2)c2ccccc2)c1 ZINC000053295327 JK Annotated Anodyne C[C@@H](C(=O)NCC1CCCCC1)c1cccc([C@H](OC(=O)NCC2CCCCC2)c2ccccc2)c1 ZINC000053295331 JK Annotated Anodyne C[C@H](C(=O)NCC1CCCCC1)c1cccc([C@@H](OC(=O)NCC2CCCCC2)c2ccccc2)c1 ZINC000053295334 JK Annotated Anodyne C[C@@H](C(=O)NCC1CCCCC1)c1cccc([C@@H](OC(=O)NCC2CCCCC2)c2ccccc2)c1 ZINC000053295339 JK Annotated Anodyne CCCCN(CCCC)CC1(CN(CCCC)CCCC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295363 JK Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COCc1ccc(Cl)cc1)[C@@]2(C)CCC1=CCOC1=O ZINC000053295527 JK Annotated Mild CCCc1nc(-c2ccccc2)c(CNCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000053295624 JK Annotated Anodyne COc1ccc(COC(=O)OC[C@@H]2CC[C@]3(C)C(C)=CC(=O)C[C@H]3[C@]2(C)CCC2=CCOC2=O)cc1 ZINC000053295785 JK Annotated Mild O=c1nc(Nc2nccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)[nH]1 ZINC000053295825 JK Annotated Anodyne CCCOc1cc(C#N)cc(OCC)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12 ZINC000053296276 JK Annotated Mild O[C@@H]1CCc2cccc(Nc3nc(Br)c(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053296480 JK Annotated Anodyne O[C@H]1CCc2cccc(Nc3nc(Br)c(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053296483 JK Annotated Anodyne Nc1nc(Nc2ccc(OC(F)(F)F)cc2)cc(Nc2nccn2-c2cccc(C(F)(F)F)c2)n1 ZINC000053296645 JK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2ccnc(Nc3nccn3-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000053296733 JK Annotated Anodyne CCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000053297593 JK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000053297596 JK Annotated Mild in-vitro biogenic CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1 ZINC000053297598 JK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OC)n3)CC2(C)C)cc1 ZINC000053298013 JK Annotated Clean COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O ZINC000053298228 JK Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O ZINC000053298231 JK Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O ZINC000053298234 JK Annotated Reactive COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)s2)ccc1O ZINC000053298236 JK Annotated Reactive COc1ccc(/C(=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)c2ccccc2)cc1 ZINC000053298914 JK Annotated Reactive O=C1CS[C@@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053312357 JK Annotated Anodyne O=C1CS[C@H](c2ccc(O)cc2)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053312360 JK Annotated Anodyne Cc1nc(Nc2ccc(OC(F)(F)F)cc2)cc(Nc2nccn2-c2cccc(C(F)(F)F)c2)n1 ZINC000053312634 JK Annotated Anodyne CCCCCCCCCCCC(=O)OCC[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000053312910 JK Annotated Mild CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)NN=C(c2ccccc2)c2ccccc2)CC1 ZINC000053313313 JK Annotated Mild O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(/C=C\c2ccccc2)c1 ZINC000053313502 JK Annotated Anodyne Cc1ccc(N(SC(Cl)(Cl)Cl)S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000053314063 JK Annotated Anodyne Cc1ccc(Nc2cc(Oc3c(C)cc(Br)cc3C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000053314337 JK Annotated Bother Cc1cc(Br)cc(C)c1Oc1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000053314686 JK Annotated Bother O[C@@H]1CCc2cccc(Nc3nc(-c4ccc(F)cc4)c(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053314868 JK Annotated Anodyne O[C@H]1CCc2cccc(Nc3nc(-c4ccc(F)cc4)c(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053314871 JK Annotated Anodyne C/C1=C\C[C@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CCC1 ZINC000053683356 JK Annotated Anodyne in-vitro CC(=O)CCCCCCCCCCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O ZINC000535384663 JK Annotated Anodyne C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)Cc1cccc2ccccc12 ZINC000535385315 JK Annotated Anodyne Br[C@@]1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21 ZINC000005539914 JK Annotated Anodyne C=CCOc1ccc(C(=N/NC(=O)c2ccccc2)/N=N/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005541975 JK Annotated Reactive CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000005542081 JK Annotated Anodyne O=c1nc(-c2ccc(Br)cc2)c2c([nH]1)/C(=C/c1ccc(Br)cc1)COC2 ZINC000005543160 JK Annotated Anodyne CCCCCC1=C2C(c3ccc(OC)cc3)=C(N)C(c3ccc(OC)cc3)=C3NC(=O)[C@H](C=C1)[C@H]32 ZINC000005544718 JK Annotated Anodyne CCCCCC1=C2C(c3ccc(OC)cc3)=C(N)C(c3ccc(OC)cc3)=C3NC(=O)[C@H](C=C1)[C@@H]32 ZINC000005544721 JK Annotated Anodyne CCCCCC1=C2C(c3ccc(OC)cc3)=C(N)C(c3ccc(OC)cc3)=C3NC(=O)[C@@H](C=C1)[C@H]32 ZINC000005544723 JK Annotated Anodyne CCCCCC1=C2C(c3ccc(OC)cc3)=C(N)C(c3ccc(OC)cc3)=C3NC(=O)[C@@H](C=C1)[C@@H]32 ZINC000005544727 JK Annotated Anodyne c1cc2cc(-c3ccc4cc(-c5ccc6oc(C7=NCCN7)cc6c5)[nH]c4c3)[nH]c2cc1C1=NCCN1 ZINC000005554003 JK Annotated Anodyne Cc1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2)c(S)cc1Cl ZINC000005579338 JK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(/N=C\c4ccccc4)n3)cc2)ccc1Cl ZINC000005579451 JK Annotated Mild COc1cc(S(=O)(=O)Nc2ccc(-c3csc(/N=C\c4cccs4)n3)cc2)ccc1Cl ZINC000005579454 JK Annotated Mild Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccc(Cl)cc1)=N\NC(=O)c1ccccc1 ZINC000005580233 JK Annotated Reactive COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N\c1ccc(cc1)/N=C\2 ZINC000005580377 JK Annotated Anodyne COc1cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC ZINC000005580412 JK Annotated Anodyne Cc1ccc(C)n1-c1ccccc1[C@@H]1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32 ZINC000005580666 JK Annotated Clean COc1c(OC(C)C)c(OC(C)C)c2oc(=O)n3c2c1[C@H](c1ccccc1-n1c(C)ccc1C)C=C3 ZINC000005580670 JK Annotated Clean COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000005581555 JK Annotated Reactive CNc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000005581983 JK Annotated Reactive CN(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000005582031 JK Annotated Clean Oc1ccc(N=C2CCC(=C(c3ccccc3)c3ccc(Nc4ccc(O)cc4)cc3)CC2)cc1 ZINC000005582039 JK Annotated Mild N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000005582251 JK Annotated Mild N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005582253 JK Annotated Mild COc1ccc(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)cc1 ZINC000005582255 JK Annotated Mild C1=N\c2ccc(cc2)-c2ccc(cc2)/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000005582295 JK Annotated Anodyne COc1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccc(OC)cc4)o3)o2)cc1 ZINC000005582368 JK Annotated Anodyne Nc1ccc2c(c1)N(C(=O)c1cc3cc(NC(=O)c4cc5ccccc5o4)ccc3[nH]1)C[C@H]2CCl ZINC000005582388 JK Annotated Reactive COc1ccc(/N=N/C(=N\c2ccc(F)cc2)c2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000005582781 JK Annotated Mild N#CCCN(CCC#N)c1ccc(C(=N/c2ccc(F)cc2)/N=N/c2ccc(Cl)cc2)cc1 ZINC000005582782 JK Annotated Mild Cc1ccc(/N=N/C(=N\c2ccc(Cl)cc2)c2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000005582784 JK Annotated Mild COc1ccc(/N=N/C(=N\c2ccc(Cl)cc2)c2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000005582786 JK Annotated Mild N#CCCN(CCC#N)c1ccc(C(=N/c2ccc(Cl)cc2)/N=N/c2ccc(Cl)cc2)cc1 ZINC000005582788 JK Annotated Mild Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582809 JK Annotated Reactive Cc1ccc(C(=O)N/N=C(\N=N\c2cccc(C)c2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582810 JK Annotated Reactive Cc1ccc(/N=N/C(=N\NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582811 JK Annotated Reactive O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5cccc6cc7ccccc7nc56)[C@H]4CC[C@@H]3[C@H]2CC1 ZINC000005582914 JK Annotated Anodyne Cc1cc2nc(N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)sc2cc1C ZINC000005596604 JK Annotated Clean Cc1ccc2nc(Cl)c(/C=N/N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)cc2c1 ZINC000005596607 JK Annotated Mild FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@H]1CCCN2CCCC[C@H]12 ZINC000005596635 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@H]1CCCN2CCCC[C@@H]12 ZINC000005596637 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)c(Cl)c1)n2C[C@H]1CCCN2CCCC[C@H]12 ZINC000005596639 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)c(Cl)c1)n2C[C@H]1CCCN2CCCC[C@@H]12 ZINC000005596641 JK Annotated Anodyne Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000005596642 JK Annotated Anodyne Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000005596643 JK Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000005596772 JK Annotated Anodyne Cc1ccnc(Nc2[nH]c(C(=O)c3ccc(Cl)cc3)c(N)c2C(=S)Nc2ccccc2)c1 ZINC000005597247 JK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(Nc3cc(C)ccn3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000005597255 JK Annotated Anodyne CCN(CC)c1ccc2c(c1)N=C1N=CC=CN1C2(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000005616005 JK Annotated Clean CC1=CC[C@H]([C@@H](C)[C@@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O ZINC000005618813 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000005618827 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]12C ZINC000005640840 JK Annotated Mild CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000005662757 JK Annotated Anodyne CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000005662758 JK Annotated Anodyne O/N=C1C(=C/c2ccc(Br)cc2)/CCC[C@@H]/1[C@@H](NO)c1ccc(Br)cc1 ZINC000005722224 JK Annotated Mild O/N=C1C(=C/c2ccc(Br)cc2)/CCC[C@H]/1[C@@H](NO)c1ccc(Br)cc1 ZINC000005722225 JK Annotated Mild CCn1c2c(c3ccccc31)[C@@H](c1ccc(Cl)cc1)C[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000005733234 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4c(c5ccccc5n4C)[C@@H]4CC[C@@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005733588 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4c(c5ccccc5n4C)[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005733589 JK Annotated Anodyne COc1ccc(N2C(=O)c3c4c(c5c([nH]c6ncccc65)c3C2=O)CC[C@H](C(C)(C)C)C4)cc1 ZINC000005733664 JK Annotated Anodyne CC(=O)O[C@H]1CCc2c(cc(N)c3c2C(=O)C[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@]32C)C1(C)C ZINC000005733673 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)CC2=C(CC(C)(C)O)C(=O)[C@]3(C)CCC[C@]3(C)C2)c1 ZINC000005759814 JK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)[C@H]2[C@]3(C)CCC[C@]3(C)[C@@]23C[C@H](O)C(C)(C)O3)c1 ZINC000005759820 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)C[C@@]2(O)C[C@@]3(C)CCC[C@@]3(C)C(=O)[C@@H]2CC(C)(C)O)c1 ZINC000005759827 JK Annotated Anodyne O=C1/C(=C/Cc2ccco2)N=C(c2ccccc2)N1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000005800927 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2ccc(C3=Nn4c(CNc5ccccc5Cl)nnc4SC3)o2)cc1 ZINC000005807975 JK Annotated Bother CC(C)(C)c1ccc2c(c1)C(O)(c1ccccc1)c1cc(C(C)(C)C)ccc1C2(O)C(F)(F)F ZINC000005808168 JK Annotated Anodyne CC[N+](C)(CC)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)C[N+](C)(CC)CC)cc1 ZINC000005809201 JK Annotated Mild O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@@]2=O)c1 ZINC000005810695 JK Annotated Bother O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@]2=O)c1 ZINC000005810697 JK Annotated Bother O=[N+]([O-])c1ccc(Cl)c([C@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@@]2=O)c1 ZINC000005810699 JK Annotated Bother O=[N+]([O-])c1ccc(Cl)c([C@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@]2=O)c1 ZINC000005810701 JK Annotated Bother COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005810783 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005810787 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005810789 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c1 ZINC000005810791 JK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c1 ZINC000005810792 JK Annotated Anodyne C/C(=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(C)c2)C1=O)c1cc2ccccc2oc1=O ZINC000005810950 JK Annotated Bother COc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000005811684 JK Annotated Anodyne FC(F)(F)C1=NC(=NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)N=C(C(F)(F)F)C1 ZINC000005811792 JK Annotated Mild COc1ccc2c(c1)Oc1cc(O)ccc1[C@H]2c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000005811930 JK Annotated Anodyne COc1ccc2c(c1)Oc1cc(O)ccc1[C@@H]2c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000005811932 JK Annotated Anodyne Cc1ccc([S@](=O)OCc2c(C)c(C)c(CO[S@@](=O)c3ccc(C)cc3)c(C)c2C)cc1 ZINC000005812579 JK Annotated Anodyne Cc1ccc([S@@](=O)OCc2c(C)c(C)c(CO[S@](=O)c3ccc(C)cc3)c(C)c2C)cc1 ZINC000005812581 JK Annotated Anodyne O=[S@@](OC12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000005812586 JK Annotated Anodyne C=C[C@H](C)[C@@]1(CCCOCc2ccccc2)C(=S)N2CCC3(C[C@]24CCC[C@@H]41)OCCO3 ZINC000005812849 JK Annotated Mild C=C[C@@H](C)[C@@]1(CCCOCc2ccccc2)C(=S)N2CCC3(C[C@]24CCC[C@@H]41)OCCO3 ZINC000005812850 JK Annotated Mild C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)CCC[C@@H]5C6=C[C@H](CC[C@@]34C)OC6=CC(=O)OC5(C)C)O2)OC1=O ZINC000005813648 JK Annotated Anodyne C[C@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000005822383 JK Annotated Anodyne C[C@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000005822385 JK Annotated Anodyne CCN1CC[C@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000005822603 JK Annotated Anodyne CCN1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000005822604 JK Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C[C@@]3(CC[C@]2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000005822799 JK Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C[C@]3(CC[C@]2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000005822801 JK Annotated Anodyne COc1cc([C@H]2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc(OC)c1OC ZINC000005822829 JK Annotated Mild O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@H]23)c1 ZINC000005823929 JK Annotated Bother O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@H]23)c1 ZINC000005823930 JK Annotated Bother O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@@H]23)c1 ZINC000005823931 JK Annotated Bother O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@@H]23)c1 ZINC000005823932 JK Annotated Bother COc1ccc(/C(=N/Nc2ccccc2)[C@H](c2ccc(OC)cc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000005824055 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](c3ccc(O)cc3)[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000005832580 JK Annotated Anodyne Clc1ccc(C2=C(c3ccccc3)[C@@H](c3ccc(Cl)cc3)N3C(=N[C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832818 JK Annotated Anodyne Clc1ccc(C2=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)N3C(=N[C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832826 JK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005833865 JK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005833872 JK Annotated Anodyne COc1c(C)c(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c(OC)c2ccccc12 ZINC000005837038 JK Annotated Anodyne COc1c(C)c(C/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)c(OC)c2ccccc12 ZINC000005837043 JK Annotated Anodyne COc1c(C)c(C/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)c(OC)c2ccccc12 ZINC000005837056 JK Annotated Anodyne COc1c(C)c(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(OC)c2ccccc12 ZINC000005837064 JK Annotated Anodyne CC1=CN(c2ccccc2)S2=C1c1sc3c(c1N2c1ccc(Br)cc1)CCCC3 ZINC000005837253 JK Annotated Clean COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005839087 JK Annotated Anodyne CSc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005839115 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000005839145 JK Annotated Anodyne CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\[C@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000005839561 JK Annotated Anodyne N#CCCN(C(=O)Nc1ccccc1)[C@H]1CCCC[C@@H]1N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000005839984 JK Annotated Mild NC(=O)N=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005840111 JK Annotated Mild Cc1ccc(S(=O)(=O)c2[nH]cc(/C(=C\C3CCCCC3)[N+](=O)[O-])c2C2CCCCC2)cc1 ZINC000005840591 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005841470 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000005841524 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(F)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005841559 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000005841608 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5c(C)cccc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000005841682 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5cccc(Cl)c5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000005841718 JK Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005842995 JK Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O ZINC000005843019 JK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1OC ZINC000005843047 JK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000005843066 JK Annotated Anodyne CSc1ccc(NC(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C(=O)O)cc1 ZINC000005843094 JK Annotated Anodyne COc1ccc(/C=N/Nc2nnc3c(n2)c2ccccc2c2nn(-c4ccccc4Cl)nc23)cc1 ZINC000005843738 JK Annotated Mild COc1ccc(/C=C2\CC[C@@H](C)C3=C2NC(=S)N[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000005844662 JK Annotated Anodyne COc1ccc(/C=C2\CC[C@@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@@H]32)cc1OC ZINC000005844860 JK Annotated Reactive COc1ccc(/C=C2\CC[C@@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc1OC ZINC000005844873 JK Annotated Reactive COc1ccc(/C=C2\CC[C@H](C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc1OC ZINC000005844879 JK Annotated Reactive Clc1ncnc2c1ncn2CCCCCCCCCCCCn1cnc2c(Cl)ncnc21 ZINC000005844897 JK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000005845729 JK Annotated Reactive CO[C@H]1ON=C(c2c(C)cc(C)cc2C)[C@@H]1[C@@]1(c2ccccc2)ON=C(c2c(C)cc(C)cc2C)O1 ZINC000005846513 JK Annotated Anodyne CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 ZINC000005846519 JK Annotated Reactive Cc1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1 ZINC000005846546 JK Annotated Anodyne COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000005848600 JK Annotated Clean CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000005848834 JK Annotated Reactive C[C@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000005848966 JK Annotated Anodyne CCCC1(n2c(=O)c3ccc4c(=O)n(C5(CCC)CCCCC5)c5ccc(c2=O)c3c45)CCCCC1 ZINC000005850065 JK Annotated Bother COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c(C)c1 ZINC000005850876 JK Annotated Anodyne CC1(C)OC[C@H](COCOP2(=O)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)O1 ZINC000005851800 JK Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCCCCCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000005882634 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]4Cc5cc(O)cc(C)c5O[C@@]4(C)CC[C@H]23)C1(C)C ZINC000005882911 JK Annotated Anodyne CCOC(=O)[C@@H](N=C(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000005882979 JK Annotated Mild Cc1c(-c2cc3n(n2)[C@H](c2cccs2)C(C#N)=C(c2ccccc2)N3)c(=O)n(-c2ccccc2)n1C ZINC000005883081 JK Annotated Reactive CC(=O)[C@]1(O)C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000005883998 JK Annotated Anodyne CC(=O)[C@@]1(O)C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000005884005 JK Annotated Anodyne C=C(/C=C/C=C(\C)CCC=C(C)C)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O ZINC000005891278 JK Annotated Reactive in-vitro biogenic CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000005891304 JK Annotated Reactive CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@H]1C[C@@]2([C@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000005891307 JK Annotated Reactive in-vitro biogenic CSC1=C(SC)SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1 ZINC000005922187 JK Annotated Anodyne c1ccc2c(c1)SC1=C(SC(=C3SC4=C(S3)Sc3ccccc3S4)S1)S2 ZINC000005922189 JK Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000005922238 JK Annotated Anodyne CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)ccc1O ZINC000005922243 JK Annotated Anodyne Clc1cc(C(c2cc(Cl)sc2Cl)c2cc(Cl)sc2Cl)c(Cl)s1 ZINC000005922266 JK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000005922316 JK Annotated Reactive C1=C\CCCCN2C[C@H]3CCCC/C=C\CCCCN4CC[C@@H]([C@H](CCCCCC/1)C4)[C@H](C3)C2 ZINC000005922567 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCN)c2cc3c4c(c2)Oc2cccc5c2C4c2c(cccc2O3)O5)cc1 ZINC000005922599 JK Annotated Anodyne c1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccccc4)o3)o2)cc1 ZINC000005923462 JK Annotated Anodyne COC(=O)C1=C(C(=O)OC)SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1 ZINC000005924077 JK Annotated Anodyne C=C(CCC(=O)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1CSCC)C(=O)OC ZINC000005924380 JK Annotated Mild COc1cc([C@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(F)cc3)[C@H]3COC(=O)N23)cc(OC)c1O ZINC000005940460 JK Annotated Anodyne O=C(OC(=C(c1ccccc1)c1ccccc1)N1CCCC1=S)C(c1ccccc1)c1ccccc1 ZINC000005940873 JK Annotated Anodyne CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000005945438 JK Annotated Reactive CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000005945446 JK Annotated Reactive COc1c2cc(C(C)(C)C)cc1CSCc1cc(C(C)(C)C)cc(c1OC)CCCCC2 ZINC000005955383 JK Annotated Anodyne O=[N+]([O-])c1c(Br)cc(Br)c2c1Nc1c(ccc(Cl)c1Cl)S2 ZINC000005957153 JK Annotated Bother O=C(C(=C(I)I)c1ccccc1)c1ccccc1 ZINC000005957219 JK Annotated Mild C=CCc1cc([C@H](Cc2ccccc2)NC(C)C)cc(OCc2ccccc2)c1OCc1ccccc1 ZINC000005957502 JK Annotated Mild Cc1cccc(C)c1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C1=O ZINC000005957614 JK Annotated Anodyne O=C(c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O)N1c2ccccc2C=Cc2ccccc21 ZINC000005983637 JK Annotated Anodyne O[C@H](c1cccnc1)c1ccc2c(c1)CN(Cc1cn(-c3ccccc3)nc1-c1ccccc1)CCO2 ZINC000055211699 JK Annotated Anodyne O[C@@H](c1cccnc1)c1ccc2c(c1)CN(Cc1cn(-c3ccccc3)nc1-c1ccccc1)CCO2 ZINC000055211700 JK Annotated Anodyne Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1cccn1-c1ccc(Cl)cn1)C2 ZINC000055271137 JK Annotated Anodyne Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000055393321 JK Annotated Anodyne Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1cccn1-c1nccs1)C2 ZINC000055575636 JK Annotated Anodyne C[n+]1ccc(Nc2ccc(Cc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000055775646 JK Annotated Reactive C[n+]1ccc(Nc2ccc(Sc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000055775647 JK Annotated Reactive CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@H]4C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000056871308 JK Annotated Anodyne in-vitro biogenic CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000056871309 JK Annotated Anodyne in-vitro COc1ccc2cc1-c1cc(ccc1O)CC[C@H]1C[C@H]3CCC[C@H](C[C@@H](OC(C)=O)CC2)N3CO1 ZINC000056871435 JK Annotated Anodyne in-vitro biogenic C#CCCC/C(=C\Cl)CC[C@H](C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC ZINC000056875046 JK Annotated Mild in-vitro C#CCCC/C(=C\Cl)CC[C@@H](C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC ZINC000056875047 JK Annotated Mild in-vitro C=CCCC/C(=C\Cl)CC[C@H](C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC ZINC000056875050 JK Annotated Mild in-vitro C=CCCC/C(=C\Cl)CC[C@@H](C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC ZINC000056875051 JK Annotated Mild in-vitro O=C(Nc1cccc(C(F)(F)F)c1)O/N=C(\C1CCCCC1)[C@@H](Cn1ccnc1)C1CCCCC1 ZINC000058468541 JK Annotated Mild c1ccc(CCN2CCC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000058480507 JK Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000058482531 JK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000058487292 JK Annotated Mild CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(N2CC[C@@H]3CCCC[C@H]3C2)nc2ccc(OC)cc12 ZINC000058487400 JK Annotated Anodyne FC(F)(F)Oc1cccc(/C=N/Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1 ZINC000058487795 JK Annotated Mild CC(=O)Nc1ccc2c(c1)nc([C@@H]1C(C)=Nc3ccnn3[C@@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000058487830 JK Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/Oc2ccc(Br)cc2)cc1 ZINC000058487858 JK Annotated Mild CC1=CC[C@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000058492216 JK Annotated Anodyne CC1=CC[C@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)[C@H](O)CC[C@@]21C ZINC000058492286 JK Annotated Anodyne FC(F)(F)c1cc(N/N=C/c2cocc2Br)c2cccc(C(F)(F)F)c2n1 ZINC000058494020 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1ccsc1)C1CCCCC1 ZINC000058499154 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cc1cccs1)C1CCCCC1 ZINC000058499157 JK Annotated Mild CCn1cc(-n2c(C3CC3)c(Sc3cccc(C(=O)O)c3F)c3ccc(Cl)c(F)c32)cn1 ZINC000584904910 JK Annotated Anodyne O=C1O[C@](O)(Cc2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)=C1Cc1ccc(Cl)cc1 ZINC000584904972 JK Annotated Anodyne Cn1c(C(=O)Nc2ccccc2COc2ccc(OC[C@@H]3CCNC3)cc2)cc2sccc21 ZINC000584905102 JK Annotated Anodyne O=S(=O)(Oc1ccc(Br)cc1)c1ccc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 ZINC000584905443 JK Annotated Anodyne C[N+](C)(C)CCCCCCCCCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000584905530 JK Annotated Bother O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl ZINC000584905559 JK Annotated Clean O=C1N[C@@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl ZINC000584905560 JK Annotated Clean Cc1n[nH]c(C)c1-c1c(-c2cccc(OC(C)C)c2)n(CCC(=O)O)c2ccc(C3CC3)cc12 ZINC000584905598 JK Annotated Anodyne CCN(c1ccc(Cl)cc1)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905640 JK Annotated Anodyne N=c1nc2ccc(Oc3ccccc3)cc2cn1[C@@H](CNC(=O)C1CCCCC1)C1CCCCC1 ZINC000584905659 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cc1cc[nH]c1)C1CCCCC1 ZINC000058502132 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cc1ccco1)C1CCCCC1 ZINC000058502195 JK Annotated Mild C[C@@H](CC[C@@H]1CCN(C)C[C@@H]1C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4 ZINC000058503333 JK Annotated Anodyne CCO/N=C(\C)C1=C(O)C[C@@H](c2ccc([C@H]3CC(=O)C(/C(C)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000058506200 JK Annotated Mild COc1ccc(C[C@@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1OCc1ccccc1 ZINC000058506326 JK Annotated Anodyne CCO/N=C(\CC)C1=C(O)C[C@@H](c2ccc([C@H]3CC(=O)C(/C(CC)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000058506385 JK Annotated Mild Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@H](Cc2cccs2)C2CCCCC2)c1 ZINC000058506393 JK Annotated Mild CO/C(=C\C(N)=O)[C@@H](C)[C@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000058506615 JK Annotated Anodyne O=C(Nc1cccc(F)c1)O/N=C(\C1CCCCC1)[C@H](Cc1cccs1)C1CCCCC1 ZINC000058506655 JK Annotated Mild O=C1CC(CCc2ccc3c(c2)OCO3)=NN1[C@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000058506739 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000058506742 JK Annotated Mild Cc1cn(C[C@H](/C(=N/OC(=O)Nc2cccc(Cl)c2)C2CCCCC2)C2CCCCC2)cn1 ZINC000058506825 JK Annotated Mild CC[C@@H]1CCCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000058508286 JK Annotated Anodyne C[C@@H](CC[C@H]1CCN(C)C[C@@H]1C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4 ZINC000058509578 JK Annotated Anodyne COc1ccc2[nH]cc(/C=N/Nc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)c2c1 ZINC000058511466 JK Annotated Mild FC(F)C(F)(F)Oc1cccc(/C=N/Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1 ZINC000058512003 JK Annotated Mild COc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@H](Cc2cccs2)C2CCCCC2)c1 ZINC000058512061 JK Annotated Mild Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@@H](Cc2cccc(F)c2)C2CCCCC2)c1 ZINC000058512158 JK Annotated Mild CCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@@H]2CCc1cccc(C(F)(F)F)c1 ZINC000058512408 JK Annotated Anodyne CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000058519440 JK Annotated Mild C[C@@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000058519497 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1ccccn1)C1CCCCC1 ZINC000058519730 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cn1ccnc1)C1CCCCC1 ZINC000058523608 JK Annotated Mild C[C@@]12C=C[C@H]3[C@@H]([C@H](SC(=O)c4ccccc4)CC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000058532975 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@](=O)CCc1ccccc1 ZINC000058533513 JK Annotated Anodyne COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2ccnc(C)c2)c2ccccc12 ZINC000058534836 JK Annotated Mild COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(F)cc2)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000058536327 JK Annotated Anodyne C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000058537994 JK Annotated Reactive CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2C(=O)O)c(Cl)c1Cl ZINC000058538066 JK Annotated Anodyne COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccncc2)c2ccccc12 ZINC000058538115 JK Annotated Mild C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000058538127 JK Annotated Reactive COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2cccnc2)c2ccccc12 ZINC000058538239 JK Annotated Mild O=C(O)c1c(-c2ccc3[nH]ccc3c2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058538256 JK Annotated Anodyne COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2ccc(F)nc2)c2ccccc12 ZINC000058538306 JK Annotated Mild FC(F)(F)c1cnc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1Cl ZINC000058538479 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000058538594 JK Annotated Anodyne O=C(CCN1CCCCC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000058539337 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000058539452 JK Annotated Anodyne O=C(O)c1c(-c2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058540757 JK Annotated Anodyne COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2ccncc2)c2ccccc12 ZINC000058540828 JK Annotated Mild O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCCNC1CCCCC1 ZINC000058541232 JK Annotated Anodyne COc1ccc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)cc1 ZINC000058541335 JK Annotated Anodyne N#Cc1nc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)ncc1C(F)(F)F ZINC000058541410 JK Annotated Mild Cc1cccc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)c1 ZINC000058541570 JK Annotated Anodyne O=C(Nc1ccccc1)c1sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n2c1C(=O)O ZINC000058541695 JK Annotated Anodyne O=C(c1ccccc1)c1sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n2c1C(=O)O ZINC000058541840 JK Annotated Anodyne COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000058541934 JK Annotated Bother O=C(O)C[C@H](c1cnc[nH]1)N(CC(c1ccccc1)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000058542928 JK Annotated Anodyne COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC ZINC000058543194 JK Annotated Bother O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccs1)C(F)(F)F ZINC000058543635 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000058556928 JK Annotated Anodyne O=C(CCN1CCCC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000058557029 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2cccnc2)N(c2ccccc2)[C@H]1c1cccnc1 ZINC000058559806 JK Annotated Anodyne O=C(O)c1c(Cc2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058563612 JK Annotated Anodyne N#Cc1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1 ZINC000058564005 JK Annotated Mild O=C(O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000058566629 JK Annotated Anodyne CC(C)c1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1 ZINC000058568383 JK Annotated Bother CCCc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1 ZINC000058568671 JK Annotated Bother O=C(O)c1c(O)c(C2(c3ccc(OC(F)(F)F)cc3)CC2)nc2c(C(F)(F)F)cccc12 ZINC000058568699 JK Annotated Anodyne O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(-c4cccs4)cc3c2=O)cc1 ZINC000058568764 JK Annotated Bother CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21 ZINC000058569094 JK Annotated Anodyne O=C(O)c1c(O)c(C2(c3ccc(Br)cc3)CC2)nc2c(C(F)(F)F)cccc12 ZINC000058569471 JK Annotated Anodyne C=C[C@@H]1CN2CC[C@@]3(CNc4cc(O)ccc43)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000058569475 JK Annotated Mild C=C(C)[C@H]1CC=C(CN2CCC[C@@H](n3ccc4cc(NC(=O)c5ccco5)ccc43)CC2)CC1 ZINC000058570511 JK Annotated Mild O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c(C(F)(F)F)cc(Br)cc12 ZINC000058574699 JK Annotated Anodyne CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc21 ZINC000058574701 JK Annotated Anodyne O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cc4ccccc4cc3c2=O)cc1 ZINC000058574840 JK Annotated Bother C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000058575270 JK Annotated Reactive CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1nc(C#N)ncc1Br ZINC000058575321 JK Annotated Reactive Cc1cc([N+](=O)[O-])c(Cl)cc1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O ZINC000058575389 JK Annotated Bother O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000058575394 JK Annotated Bother O=C(Cn1cc[n+](CC(=O)c2ccc(Cc3ccccc3)cc2)c1)c1ccc(Cc2ccccc2)cc1 ZINC000058575533 JK Annotated Mild COC(=O)[C@@H]1[C@H](c2ccccc2)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000058575618 JK Annotated Anodyne O=C1N(Cc2cc[n+]([O-])cc2)c2ccc(F)c(F)c2[C@](CCF)(c2ccccc2)N1CC(F)(F)F ZINC000058575754 JK Annotated Anodyne O=C(O)c1c(-c2ccsc2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058575787 JK Annotated Anodyne CCC[C@]1(c2cccc(Oc3ccccn3)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000058575943 JK Annotated Anodyne C=C(C)[C@@](O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C(=O)O ZINC000058576019 JK Annotated Mild CC[C@@H](C)C(=O)C1=C2O[C@@H]([C@@](C)(O)CCC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C)(C)C1=O ZINC000058576156 JK Annotated Mild O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000058580913 JK Annotated Bother CCC[C@]1(c2ccccc2)c2c(ccc(F)c2F)N(Cc2cc[n+]([O-])cc2)C(=O)N1CC(F)(F)F ZINC000058580957 JK Annotated Anodyne CC[C@]1(c2ccccc2)c2c(ccc(F)c2F)N(C(=O)c2ocnc2C)C(=O)N1CC(F)(F)F ZINC000058580997 JK Annotated Anodyne COc1ccc(C(=O)N(OC(=O)c2ccccc2)c2ccc(C(=O)c3ccccc3)cc2)cc1OC ZINC000058581217 JK Annotated Mild Cc1ccc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)cc1 ZINC000058581587 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000058581703 JK Annotated Bother C=C(C)[C@@](O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C(=O)O ZINC000058582077 JK Annotated Mild C=C(C)[C@@](CC)(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C(=O)O)OC(C)=O ZINC000058582227 JK Annotated Mild CCCCCCOCCC12C[C@@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000058582573 JK Annotated Bother Cc1cc(Cl)c([N+](=O)[O-])c(C)c1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O ZINC000058582656 JK Annotated Bother O=C(O)[C@@H]1CSc2c(-c3ccc(Br)cc3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000058582706 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)CCN(CCCN4CCCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000058582868 JK Annotated Anodyne CCC[C@]1(c2cccc(N3CCOCC3)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000058582886 JK Annotated Anodyne C[N+](C)(C)CCO[P@@](=O)(O)OCCC12C[C@H]3C[C@H](CC(CCOCc4ccccc4)(C3)C1)C2 ZINC000058583280 JK Annotated Bother CC(C)N(c1cccc(I)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000058583491 JK Annotated Anodyne O=C(O)c1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000058583779 JK Annotated Bother O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc(C(F)(F)F)cc1 ZINC000058583873 JK Annotated Anodyne C[C@H]1C(=NOCc2ccccc2)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000058590199 JK Annotated Mild C[C@]1(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)O ZINC000058590376 JK Annotated Reactive CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2ccc(F)c(Cl)c2)nc2ccc(OC)cc12 ZINC000058590386 JK Annotated Anodyne CCC[C@]1(c2cccc(-c3nccs3)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000058590581 JK Annotated Anodyne C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccc(F)cc21 ZINC000058590770 JK Annotated Anodyne COc1cc(/C=C2\N=C(N3CCCCC3)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058590906 JK Annotated Anodyne CC[C@]1(c2ccc(F)cc2)c2c(ccc(F)c2F)N(Cc2c(C)noc2C)C(=O)N1CC(F)(F)F ZINC000058590998 JK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)C[C@H](NCCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000058591121 JK Annotated Anodyne CCCC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@H](C)c1ccc(F)cc1 ZINC000058591580 JK Annotated Mild CCC[C@@]1(c2cccc(-c3ccnn3C)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000058591721 JK Annotated Anodyne CC[C@]1(c2ccccc2)c2c(ccc(F)c2F)N(Cc2cc[n+]([O-])cc2)C(=O)N1CC(F)(F)F ZINC000058591824 JK Annotated Anodyne CCCC/N=C1\N/C(=C\c2ccc(-n3cnc(C)c3)c(OC)c2)C(=O)N1[C@@H](C)c1ccc(F)cc1 ZINC000058591891 JK Annotated Mild CCNc1cccc(C2CCN(CCCNc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058591896 JK Annotated Anodyne COCCn1c(-c2ccc(C(C)C)cc2)nc2c(I)ccc(OC)c21 ZINC000058592325 JK Annotated Anodyne COc1ccc(C(=O)ON(C(=O)c2ccccc2)c2ccc(C(=O)c3ccccc3)cc2)cc1OC ZINC000058592340 JK Annotated Mild O=C(ON(C(=O)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000058592342 JK Annotated Mild O=C(ON(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000058592343 JK Annotated Mild C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1Cc1ccccc1 ZINC000058592699 JK Annotated Mild CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-n3cccc3)ccc21 ZINC000058592870 JK Annotated Anodyne C[C@H]1C(=NOCc2ccccc2)[C@@H](C)[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000058598662 JK Annotated Anodyne Cc1ccccc1C[S@@](=O)[C@@]1(Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000058599664 JK Annotated Mild COc1cc(CO/N=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc(OC)c1OC ZINC000058602714 JK Annotated Mild O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(Cl)c1)[C@@H]2c1ccccn1 ZINC000058603480 JK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)CN(c1ccc(F)c(Cl)c1)[C@H]2c1ccccn1 ZINC000058603707 JK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000058608306 JK Annotated Anodyne COc1cc(C(=O)O/N=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc(OC)c1OC ZINC000058608814 JK Annotated Mild COC(=O)c1ccc2c(c1)nc([C@H]1C(C)=Nc3ccnn3[C@@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000058608856 JK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2ccc(OC)cc12 ZINC000058609725 JK Annotated Anodyne O=C(O)c1ccnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c1C(F)(F)F ZINC000058631269 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2ccccc2)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000058632227 JK Annotated Anodyne Nc1nc2ccc(Oc3ccccc3)cc2c[n+]1[C@@H](CNC(=O)C1CCCCC1)C1CCCCC1 ZINC000058632538 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@](=O)Cc1ccccc1 ZINC000058649521 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)CCN(CCCN4CCCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000058650430 JK Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)n1c(SO)c(C2CC2)c(Cc2cccc3ccccc23)cc1=O ZINC000058660876 JK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12 ZINC000058672712 JK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc3ccccc23)nc2ccc(OC)cc12 ZINC000058672753 JK Annotated Anodyne C[C@@H]1C[C@H]([C@H]2OC2(C)C)O[C@@H]2C[C@@]3(C)C(=C12)CC[C@@H]1[C@]3(C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000058689540 JK Annotated Anodyne C#CCC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCCCC1 ZINC000586877447 JK Annotated Mild O=C1CCC(c2ccccc2)(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000586877653 JK Annotated Anodyne C#CCC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCCCC1 ZINC000586877765 JK Annotated Mild CCCC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCC1 ZINC000586877881 JK Annotated Bother Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586878013 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000586878078 JK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cc1Br ZINC000586878142 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3cc(C)ccc3C)nc2c1 ZINC000586878156 JK Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586878158 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586878159 JK Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586878160 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586878190 JK Annotated Bother Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878191 JK Annotated Bother Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(I)cc3[nH]2)c1 ZINC000586878252 JK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878297 JK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878347 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586878372 JK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586878479 JK Annotated Reactive CCCCOc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cc1Br ZINC000586878494 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586878564 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586878565 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c(F)c1Nc1ccccc1 ZINC000586878579 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000586878595 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878654 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(I)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878701 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)CC1 ZINC000586878713 JK Annotated Anodyne Cc1cncc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586878738 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586878846 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586878895 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)cc2)CC1 ZINC000586878909 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586878977 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586879020 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2)CC1 ZINC000586879043 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000586879108 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586879117 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(I)c3[nH]2)c1 ZINC000586879121 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)CC1 ZINC000586879126 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586879131 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586879152 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000586879166 JK Annotated Bother Cc1cc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879219 JK Annotated Anodyne C#Cc1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000586879258 JK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000586879341 JK Annotated Bother Cc1cc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879398 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586879416 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586879486 JK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(C4CCC4)cc3)[nH]c12 ZINC000586879542 JK Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586879563 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586879574 JK Annotated Bother CC(=O)c1ccc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586879587 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)CC1 ZINC000586879629 JK Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586879794 JK Annotated Anodyne CCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1CC ZINC000586879799 JK Annotated Reactive Cc1cc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879913 JK Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586879915 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586879919 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586879962 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3cc(C)ccc3C)nc2c1 ZINC000586879967 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586879974 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2)CC1 ZINC000586879984 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586879987 JK Annotated Reactive Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586880007 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cc1Br ZINC000586880012 JK Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586880090 JK Annotated Reactive COC(=O)c1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586880157 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586880172 JK Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586880381 JK Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586880386 JK Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880455 JK Annotated Bother CCc1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1CC ZINC000586880500 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)CC1 ZINC000586880575 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)CC1 ZINC000586880602 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)cc2)CC1 ZINC000586880624 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)CC1 ZINC000586880633 JK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586880851 JK Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586880855 JK Annotated Reactive O=C(O)/C=C\c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586880859 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1Br ZINC000586880942 JK Annotated Mild C=Cc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000586881070 JK Annotated Bother O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cccc(F)c5[nH]4)c3)cc2)c1 ZINC000586881110 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(CC)c(CC)c3)nc2cc1Br ZINC000586881190 JK Annotated Mild CC(=O)c1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586881191 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)CC1 ZINC000586881351 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2)CC1 ZINC000586881362 JK Annotated Clean CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)CC1 ZINC000586881365 JK Annotated Bother CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)CC1 ZINC000586881379 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1Br ZINC000586881402 JK Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586881529 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(C(C)(C)CC)cc3)nc2cc1Br ZINC000586881577 JK Annotated Mild CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586881626 JK Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586881654 JK Annotated Reactive O=C(O)c1ccccc1/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586881657 JK Annotated Reactive COC(=O)c1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586881678 JK Annotated Anodyne Cc1ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c2n1 ZINC000586881732 JK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)CC1 ZINC000586881900 JK Annotated Bother CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)CC1 ZINC000586881984 JK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586882074 JK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586882082 JK Annotated Reactive Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586882373 JK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586882383 JK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586882398 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586882545 JK Annotated Clean COC(=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2n1 ZINC000586882731 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc7nc(O)[nH]c7cc6[nH]5)c34)c12 ZINC000586882754 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882776 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882777 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882778 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882779 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Cl)ncnc6[nH]5)c34)c12 ZINC000586882796 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cn1 ZINC000586882800 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586882804 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586882809 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Cl)c(Cl)cnc6[nH]5)c34)c12 ZINC000586882812 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc([N+](=O)[O-])c(F)cc6[nH]5)c34)c12 ZINC000586882815 JK Annotated Bother O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(O)nc(S)nc6[nH]5)c34)c12 ZINC000586882830 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cncc(Br)c6[nH]5)c34)c12 ZINC000586882831 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Cl)cc(Cl)c6[nH]5)c34)c12 ZINC000586882941 JK Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586882980 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Cl)cc(F)c6[nH]5)c34)c12 ZINC000586882990 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883016 JK Annotated Mild N[C@H](N=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586883027 JK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586883028 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Cl)nc(Cl)c6[nH]5)c34)c12 ZINC000586883030 JK Annotated Anodyne O=C1CCc2cc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3cc2N1 ZINC000586883042 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(-n7cnnn7)cc6[nH]5)c34)c12 ZINC000586883091 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(S)nc(S)nc6[nH]5)c34)c12 ZINC000586883110 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(-n7cccn7)c(F)cc6[nH]5)c34)c12 ZINC000586883127 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc(Br)c6[nH]5)c34)c12 ZINC000586883129 JK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)nc3cc2N1 ZINC000586883146 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc(C(F)(F)F)c6[nH]5)c34)c12 ZINC000586883151 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc7c(cc6[nH]5)OCO7)c34)c12 ZINC000586883188 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)c34)c12 ZINC000586883194 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(F)cnc(Cl)c6[nH]5)c34)c12 ZINC000586883201 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883265 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586883327 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586883330 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586883331 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586883332 JK Annotated Mild N#Cc1nc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2nc1C#N ZINC000586883395 JK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc7cn[nH]c7cc6[nH]5)c34)c12 ZINC000586883477 JK Annotated Anodyne Cc1cc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2cc1[N+](=O)[O-] ZINC000586883517 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3c(C)ccc4ccccc34)[nH]c2cc1Br ZINC000586883541 JK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(F)c(F)c6[nH]5)c34)c12 ZINC000586883547 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Br)nc6[nH]5)c34)c12 ZINC000586883548 JK Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000586883554 JK Annotated Reactive O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000586883556 JK Annotated Reactive COC(=O)c1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883588 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883591 JK Annotated Anodyne C=CCc1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883594 JK Annotated Mild O=C(O)c1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883624 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc7c(c6[nH]5)CCCC7)c34)c12 ZINC000586883648 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(F)c(F)c(F)c(F)c6[nH]5)c34)c12 ZINC000586883651 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(F)c(F)c(F)c6[nH]5)c34)c12 ZINC000586883748 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cnc(C(F)(F)F)[nH]c-6n5)c34)c12 ZINC000586883795 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)ncc6[nH]5)c34)c12 ZINC000586883814 JK Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586883853 JK Annotated Reactive O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)cnc6[nH]5)c34)c12 ZINC000586884033 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccnc(Br)c6[nH]5)c34)c12 ZINC000586884052 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc12 ZINC000586884054 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884122 JK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)cnc6[nH]5)c34)c12 ZINC000586884129 JK Annotated Anodyne COc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1C ZINC000586884135 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc7c(cc6[nH]5)OCCCO7)c34)c12 ZINC000586884185 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586884245 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6nc(Br)c[nH]c-6n5)c34)c12 ZINC000586884285 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cnc(Cl)[nH]c-6n5)c34)c12 ZINC000586884288 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586884289 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Cl)cnc(Cl)c6[nH]5)c34)c12 ZINC000586884301 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)c34)c12 ZINC000586884307 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br ZINC000586884348 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br ZINC000586884349 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586884555 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586884561 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586884562 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586884563 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc([N+](=O)[O-])c6[nH]5)c34)c12 ZINC000586884566 JK Annotated Bother CCCCCCCCOc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br ZINC000586884583 JK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc7c(cc6[nH]5)OCCO7)c34)c12 ZINC000586884584 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br ZINC000586884589 JK Annotated Mild CCCCCCCCOc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br ZINC000586884592 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br ZINC000586884593 JK Annotated Mild CC(C)(C)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2n1 ZINC000586884594 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Br)ccnc6[nH]5)c34)c12 ZINC000586884600 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(F)cc(F)c6[nH]5)c34)c12 ZINC000586884602 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884618 JK Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586884684 JK Annotated Anodyne N=c1[nH]c2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc-2c(Cl)[nH]1 ZINC000586884685 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6nc(Cl)c[nH]c-6n5)c34)c12 ZINC000586884745 JK Annotated Anodyne O=C1CCC[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000586884753 JK Annotated Bother O=C1CCC[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000586884756 JK Annotated Bother O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cnc7ccccc7c6[nH]5)c34)c12 ZINC000586884767 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c32)n1 ZINC000586884781 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(CCO)cc6[nH]5)c34)c12 ZINC000586884802 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc(OC(F)(F)F)c6[nH]5)c34)c12 ZINC000586884813 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Cl)c(F)c(F)c6[nH]5)c34)c12 ZINC000586884853 JK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885023 JK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885024 JK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885025 JK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885026 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc7ncccc7c6[nH]5)c34)c12 ZINC000586885056 JK Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586885402 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586885491 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586885492 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586885493 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586885494 JK Annotated Reactive O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc([N+](=O)[O-])cnc6[nH]5)c34)c12 ZINC000586885781 JK Annotated Bother CC[C@@]1(C)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586885948 JK Annotated Bother CC[C@]1(C)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586885959 JK Annotated Bother CC[C@@]1(C)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586885961 JK Annotated Bother CC[C@]1(C)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586885963 JK Annotated Bother COC(=O)c1ccnc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc12 ZINC000586886073 JK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cncc([N+](=O)[O-])c6[nH]5)c34)c12 ZINC000586886087 JK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586886123 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586886130 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586886151 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586886154 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586886156 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586886158 JK Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000586886493 JK Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586886636 JK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586886637 JK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586886638 JK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586886639 JK Annotated Anodyne CCCCC1CCC(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC1 ZINC000586886737 JK Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)C2 ZINC000586887509 JK Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)C2 ZINC000586887512 JK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@]56CCC[C@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)cc2)CC1 ZINC000586887809 JK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]56CCC[C@@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)cc2)CC1 ZINC000586887810 JK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@]56CCC[C@@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)cc2)CC1 ZINC000586887813 JK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586887873 JK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586887879 JK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586887881 JK Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586887883 JK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]56CCC[C@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)cc2)CC1 ZINC000586888222 JK Annotated Anodyne CCCCC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586888413 JK Annotated Reactive CCCCCCCCOc1cc2nc(C3CCC(CCCC)CC3)[nH]c2cc1Br ZINC000586889139 JK Annotated Mild Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586889711 JK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586889713 JK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586889715 JK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586889717 JK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586890835 JK Annotated Reactive Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586890840 JK Annotated Reactive Cc1ccc([C@H](C)[C@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586890843 JK Annotated Reactive Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586890845 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586891521 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586891528 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586891531 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586891533 JK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586892411 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586892416 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586892417 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586892419 JK Annotated Reactive CCCCC1CCC(c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC1 ZINC000586893867 JK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586894368 JK Annotated Reactive OCCCCCCCCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586894375 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894385 JK Annotated Anodyne CCCCCOc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894511 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894555 JK Annotated Mild OCCCCCCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586894642 JK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586894647 JK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586894662 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586894668 JK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586894721 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(-c6ccccc6CO)c5)[nH]c4c3)o2)cc1 ZINC000586894726 JK Annotated Anodyne COC(=O)c1cc2nc(CCCCCCCCCCCO)[nH]c2c(F)c1Nc1ccccc1 ZINC000586894856 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894904 JK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586894940 JK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586895047 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586895062 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Br ZINC000586895063 JK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586895064 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Br ZINC000586895112 JK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586895119 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Br ZINC000586895175 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1 ZINC000586895275 JK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586895374 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br ZINC000586895623 JK Annotated Mild OCC12CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)(CC1)CC2 ZINC000586895720 JK Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 ZINC000586895822 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br ZINC000586895827 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 ZINC000586895907 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 ZINC000586895912 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(C(C)C)cc(C(C)C)c5O)[nH]c4c3)o2)cc1 ZINC000586895978 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Br ZINC000586895996 JK Annotated Anodyne Oc1cccc(CCCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586896052 JK Annotated Reactive O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 ZINC000586896053 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Br ZINC000586896188 JK Annotated Anodyne CC(C)c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896194 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3c2)cc1 ZINC000586896211 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCCCc3cccc(O)c3)[nH]c12 ZINC000586896239 JK Annotated Anodyne CC(C)c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896421 JK Annotated Anodyne Oc1cccc(CCCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586896468 JK Annotated Anodyne CC(C)c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896500 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586896532 JK Annotated Anodyne CC(C)c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896596 JK Annotated Anodyne CC(C)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896915 JK Annotated Reactive CC(C)c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896950 JK Annotated Anodyne Oc1ccccc1C1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586896999 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 ZINC000586897022 JK Annotated Anodyne CC(C)c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586897043 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 ZINC000586897057 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586897065 JK Annotated Anodyne CC(C)c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586897111 JK Annotated Anodyne CC(C)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586897116 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br ZINC000586897136 JK Annotated Mild Oc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc2c1CCCC2 ZINC000586897577 JK Annotated Reactive COC(=O)c1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586897622 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 ZINC000586897648 JK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586897779 JK Annotated Reactive Oc1ccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586897938 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br ZINC000586898105 JK Annotated Mild COC(=O)c1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586898371 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1Br ZINC000586899491 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586900101 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586900113 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586900134 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586900146 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)cc1 ZINC000586900209 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586900219 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586900220 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586900222 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586900223 JK Annotated Mild CC(C)CCOc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586900347 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586900368 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586900372 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586900408 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586900420 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 ZINC000586900484 JK Annotated Anodyne COC(=O)c1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586900719 JK Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586900809 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586900835 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586900837 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccoc3C3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586900891 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586900903 JK Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586901075 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586901154 JK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586901161 JK Annotated Anodyne CCCOc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586901192 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586901252 JK Annotated Anodyne Brc1cc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2cc1OCc1ccccc1 ZINC000586901474 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5ccoc5COc5ccc(C=O)cc5)[nH]c4c3)o2)cc1 ZINC000586901633 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586901708 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586901741 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2cc1Br ZINC000586902252 JK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586902253 JK Annotated Reactive COC(=O)c1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2c(F)c1Nc1ccccc1 ZINC000586902640 JK Annotated Anodyne CCOCc1ccc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)o1 ZINC000586902961 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)oc12 ZINC000586902973 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br ZINC000586902988 JK Annotated Mild Cc1oc2c(c1-c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)C(=O)CCC2 ZINC000586903253 JK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586903270 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)oc12 ZINC000586903356 JK Annotated Anodyne CCOCc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)o1 ZINC000586903399 JK Annotated Bother Cc1oc2c(c1-c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)C(=O)CCC2 ZINC000586903490 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)o1 ZINC000586903549 JK Annotated Reactive CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586903623 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Br ZINC000586903683 JK Annotated Mild CCCCCOc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1Br ZINC000586903684 JK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586904041 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 ZINC000586904083 JK Annotated Reactive COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)oc12 ZINC000586904096 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)oc12 ZINC000586904124 JK Annotated Reactive CCCCCCCCOc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1Br ZINC000586904168 JK Annotated Mild COc1ccc(C=O)c2cc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)oc12 ZINC000586904191 JK Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)C(=O)CCC2 ZINC000586904483 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586904487 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)oc12 ZINC000586904496 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)oc12 ZINC000586904584 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)Nc5ccccc5Cl)ccc4[nH]3)oc12 ZINC000586904589 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)Nc5ccc(Cl)cc5)ccc4[nH]3)oc12 ZINC000586904594 JK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)oc12 ZINC000586904619 JK Annotated Anodyne Cc1oc2c(c1-c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C(=O)CCC2 ZINC000586904686 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3c(CC)oc4ccccc34)[nH]c2cc1Br ZINC000586904737 JK Annotated Mild O[C@@H]1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586905167 JK Annotated Reactive O[C@H]1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586905168 JK Annotated Reactive O[C@H]1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586905169 JK Annotated Reactive O[C@@H]1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586905170 JK Annotated Reactive Cc1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905344 JK Annotated Reactive Cc1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905345 JK Annotated Reactive O=C(O)c1cc2[nH]c(-c3occ4c3CCC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586905451 JK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Br ZINC000586905570 JK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Br ZINC000586905571 JK Annotated Mild Cc1c(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905720 JK Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905721 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905727 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905728 JK Annotated Anodyne O=C1O/C(=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586905757 JK Annotated Reactive O=C1O/C(=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586905758 JK Annotated Reactive O=C1c2ccoc2CC[C@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586906331 JK Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586906332 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Br ZINC000586906338 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Br ZINC000586906342 JK Annotated Mild O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586906365 JK Annotated Reactive O=C1c2ccoc2CC[C@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586906368 JK Annotated Reactive O=C1O/C(=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c2ccccc21 ZINC000586906635 JK Annotated Anodyne O=C1O/C(=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c2ccccc21 ZINC000586906638 JK Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc21 ZINC000586906738 JK Annotated Reactive O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586907632 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586907646 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586907673 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586907674 JK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586907689 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586907891 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586907896 JK Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]1)=C2 ZINC000586907932 JK Annotated Reactive CC(C)COc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586908038 JK Annotated Mild CC(C)COc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586908051 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br ZINC000586908589 JK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 ZINC000586908861 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br ZINC000586909502 JK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586909819 JK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586909820 JK Annotated Mild CC(C)Oc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586909908 JK Annotated Mild CC(C)Oc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586909909 JK Annotated Mild COC(=O)c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586910149 JK Annotated Mild COC(=O)c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586910150 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586910159 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586910160 JK Annotated Mild FS(F)(F)(F)(F)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910278 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910294 JK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586910415 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586910416 JK Annotated Mild FC(F)(F)Oc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586910419 JK Annotated Mild FC(F)(F)Oc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586910422 JK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910458 JK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910496 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)cc1 ZINC000586910519 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)cc1 ZINC000586910520 JK Annotated Mild CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586910594 JK Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586910601 JK Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586910603 JK Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586910605 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910608 JK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910610 JK Annotated Mild CC1(C)COc2c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc21 ZINC000586910888 JK Annotated Reactive Brc1cnc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586910917 JK Annotated Mild Brc1cnc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586910918 JK Annotated Mild FC(F)(F)c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586910986 JK Annotated Mild FC(F)(F)c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586910987 JK Annotated Mild CCCCOc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586911044 JK Annotated Mild CCCCOc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586911045 JK Annotated Mild FC(F)(F)c1cc(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586911089 JK Annotated Mild FC(F)(F)c1cc(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586911091 JK Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586911413 JK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586911414 JK Annotated Mild CC(C)CCOc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586911530 JK Annotated Mild CC(C)CCOc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586911531 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586911841 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586911843 JK Annotated Mild CC(C)CCOc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586911914 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br ZINC000586912021 JK Annotated Mild Brc1ccc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586912359 JK Annotated Mild Brc1ccc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586912365 JK Annotated Mild CC1(C)COc2c(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cccc21 ZINC000586912519 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586912589 JK Annotated Anodyne Oc1ccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCOCC2)cc1 ZINC000586912657 JK Annotated Reactive CC[C@H]1OCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586912691 JK Annotated Bother CC[C@@H]1OCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586912701 JK Annotated Bother CC[C@@H]1OCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586912702 JK Annotated Bother CC[C@H]1OCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586912704 JK Annotated Bother CCCCCOc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586912985 JK Annotated Mild CCCCCOc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586912986 JK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913044 JK Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CCOCC2)cc1 ZINC000586913075 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(c6ccc(O)cc6)CCOCC5)[nH]c4c3)o2)cc1 ZINC000586913153 JK Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586913218 JK Annotated Anodyne Oc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CCOCC2)cc1 ZINC000586913460 JK Annotated Anodyne CCCCCOc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586913677 JK Annotated Anodyne Brc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586913740 JK Annotated Mild Brc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586913741 JK Annotated Mild Oc1ccc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CCOCC2)cc1 ZINC000586914002 JK Annotated Anodyne Oc1ccc(C2(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CCOCC2)cc1 ZINC000586914101 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c21 ZINC000586914598 JK Annotated Clean Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586914739 JK Annotated Anodyne CCCOc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586914814 JK Annotated Mild CCCOc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586914815 JK Annotated Mild COC(=O)c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586914826 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586914974 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586915056 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586915126 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586915127 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586915128 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586915129 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586915136 JK Annotated Bother CCCOc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586915206 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586915224 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586915322 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586915323 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586915324 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586915325 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586915460 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586915478 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586915539 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586915540 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586915541 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586915542 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586915543 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586915544 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586915545 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586915546 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586915646 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586915651 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586915652 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586915654 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586915656 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586915674 JK Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586915680 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586915682 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586915684 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586915685 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586915711 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586915714 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586915715 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586915716 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586915749 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586915890 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586915891 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586915892 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586915894 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586916086 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586916087 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586916088 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586916089 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586916121 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586916126 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586916129 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586916131 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586916159 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586916172 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586916226 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586916230 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586916299 JK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586916308 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586916366 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586916367 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586916368 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586916369 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916472 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916473 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916475 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916477 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586916500 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br ZINC000586916639 JK Annotated Mild CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(=O)oc2c1C ZINC000586916872 JK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)c(=O)oc2c1C ZINC000586916898 JK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C#N)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586916902 JK Annotated Mild C[C@H]1CCO[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 ZINC000586916904 JK Annotated Bother COC(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1OC ZINC000586916912 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586916953 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586917058 JK Annotated Mild CC(C)=CCOc1ccc2c(C)c(Cc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(=O)oc2c1C ZINC000586917062 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586917082 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586917085 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(=O)oc2c1C ZINC000586917097 JK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)c(Br)cnc4[nH]3)c(=O)oc2c1C ZINC000586917098 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cncc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917112 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(SC(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586917146 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586917204 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586917206 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586917211 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586917215 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586917338 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586917339 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586917341 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586917342 JK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)ccc12 ZINC000586917403 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(OCc5ccccc5)c4[nH]3)c(=O)oc2c1C ZINC000586917441 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)c(F)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586917491 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586917513 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Sc5ccccc5)cc4[nH]3)c(=O)oc2c1C ZINC000586917602 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@]56CCOc5ccc(OC)cc56)[nH]c4c3)o2)cc1 ZINC000586917616 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@]56CCOc5ccc(OC)cc56)[nH]c4c3)o2)cc1 ZINC000586917624 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@]56CCOc5ccc(OC)cc56)[nH]c4c3)o2)cc1 ZINC000586917626 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@]56CCOc5ccc(OC)cc56)[nH]c4c3)o2)cc1 ZINC000586917628 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)c(F)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586917632 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(=O)oc2c1C ZINC000586917672 JK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)ncc4[nH]3)c(=O)oc2c1C ZINC000586917696 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586917722 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586917735 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c(=O)oc2c1C ZINC000586917746 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586917775 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)c(O)c4[nH]3)c(=O)oc2c1C ZINC000586917781 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(=O)O)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586917792 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586917796 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)nc4[nH]3)c(=O)oc2c1C ZINC000586917808 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586917811 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(=O)oc2c1C ZINC000586917819 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Br)ccnc4[nH]3)c(=O)oc2c1C ZINC000586917825 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 ZINC000586917850 JK Annotated Reactive COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586917918 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586917919 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586917920 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586917921 JK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)ccc12 ZINC000586917959 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c(=O)oc2c1C ZINC000586918007 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586918073 JK Annotated Reactive CC(C)=CCOc1ccc2c(C)c(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)c(=O)oc2c1C ZINC000586918144 JK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918150 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918156 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)c(=O)oc2c1C ZINC000586918157 JK Annotated Anodyne COc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1Cl ZINC000586918211 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586918216 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586918225 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586918228 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)c(C)nc4[nH]3)c(=O)oc2c1C ZINC000586918266 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918267 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)c(C)c(C)c4[nH]3)c(=O)oc2c1C ZINC000586918270 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586918273 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918276 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918281 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)c(=O)oc2c1C ZINC000586918287 JK Annotated Bother COC(=O)c1cc2[nH]c(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)nc2cc1OC ZINC000586918304 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(OC(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586918306 JK Annotated Anodyne CCCOc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586918308 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c(=O)oc2c1C ZINC000586918316 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586918334 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586918335 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586918336 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586918337 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586918346 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586918347 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586918348 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586918349 JK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4cc(C#N)cc(Br)c4[nH]3)ccc12 ZINC000586918463 JK Annotated Mild CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc12 ZINC000586918499 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br ZINC000586918519 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CCc4c(C)c5ccc(OC)c(C)c5oc4=O)[nH]c3c2)cc1 ZINC000586918550 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc(C)c4[nH]3)c(=O)oc2c1C ZINC000586918623 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918626 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)c(C)c(C)c4[nH]3)c(=O)oc2c1C ZINC000586918634 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)c(=O)oc2c1C ZINC000586918639 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918648 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)c(C)c4[nH]3)c(=O)oc2c1C ZINC000586918652 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c(=O)oc2c1C ZINC000586918656 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccnc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918669 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Cl)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918675 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586918726 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586918727 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586918728 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586918729 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918738 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)cc(C(=O)O)c4[nH]3)c(=O)oc2c1C ZINC000586918753 JK Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586918759 JK Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)ccc2o1 ZINC000586918767 JK Annotated Reactive CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918768 JK Annotated Anodyne CCCCOc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586918774 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc5nc(C)ccc5c4[nH]3)c(=O)oc2c1C ZINC000586918776 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(OCCN(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586918780 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586918790 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586918792 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Oc5ccccc5)cc4[nH]3)c(=O)oc2c1C ZINC000586918798 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918799 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918859 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586918872 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(=O)oc2c1C ZINC000586918889 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(=O)oc2c1C ZINC000586918935 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)nc2c1 ZINC000586918936 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586918945 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918952 JK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)c(=O)oc2c1C ZINC000586918965 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)c(=O)oc2c1C ZINC000586918969 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Sc5ccccc5)cc4[nH]3)c(=O)oc2c1C ZINC000586918974 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccc(OCc5ccccc5)c4[nH]3)c(=O)oc2c1C ZINC000586918988 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(=O)oc2c1C ZINC000586918996 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(F)cnc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918997 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(=O)oc2c1C ZINC000586919010 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586919016 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586919046 JK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586919056 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc(F)c4[nH]3)c(=O)oc2c1C ZINC000586919060 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586919075 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)nc2c1 ZINC000586919081 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(OC(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586919094 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(F)c(Br)c4[nH]3)c(=O)oc2c1C ZINC000586919096 JK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cnc4[nH]3)c(=O)oc2c1C ZINC000586919102 JK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c5cccnc5c5ncccc5c4[nH]3)c(=O)oc2c1C ZINC000586919242 JK Annotated Bother CCCCc1cc(=O)oc2cc(OCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)ccc12 ZINC000586919247 JK Annotated Clean COc1ccc2c(C)c(CCc3nc4cc5nc6ccccc6nc5cc4[nH]3)c(=O)oc2c1C ZINC000586919275 JK Annotated Bother COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586919277 JK Annotated Anodyne CSc1sc(-c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919553 JK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919557 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919558 JK Annotated Anodyne CSc1sc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919573 JK Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919578 JK Annotated Anodyne CSc1sc(-c2nc3c(C)c(Br)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919629 JK Annotated Anodyne CSc1sc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919677 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919692 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919697 JK Annotated Clean CSc1sc(-c2nc3cc(Br)c(C)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919743 JK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919760 JK Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919769 JK Annotated Bother CSc1sc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919775 JK Annotated Anodyne CSc1sc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919791 JK Annotated Mild CSc1sc(-c2nc3cc(C)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919813 JK Annotated Anodyne CSc1sc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919820 JK Annotated Bother CSc1sc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919875 JK Annotated Anodyne CSc1sc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919880 JK Annotated Mild CSc1sc(-c2nc3ccc(Br)c(O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919943 JK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919963 JK Annotated Anodyne CSc1sc(-c2nc3cncc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919978 JK Annotated Anodyne O=S(=O)(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920032 JK Annotated Reactive CSc1sc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920050 JK Annotated Anodyne CSc1sc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920055 JK Annotated Anodyne CSc1sc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920056 JK Annotated Anodyne CSc1sc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920068 JK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920097 JK Annotated Anodyne CSc1sc(-c2nc3c(F)cnc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920104 JK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920107 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)c(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920163 JK Annotated Anodyne CSc1sc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920172 JK Annotated Anodyne CSc1sc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920187 JK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920196 JK Annotated Anodyne CSc1sc(-c2nc3c(Br)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920244 JK Annotated Anodyne CSc1sc(-c2nc3ccnc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920405 JK Annotated Anodyne CSc1sc(-c2nc3cc(C)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920425 JK Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1Cl ZINC000586920426 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586920433 JK Annotated Anodyne CSc1sc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920434 JK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920435 JK Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920451 JK Annotated Anodyne CSc1sc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920456 JK Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920496 JK Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920508 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920513 JK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920537 JK Annotated Anodyne CSc1sc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920539 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920563 JK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920584 JK Annotated Anodyne CSc1sc(-c2nc3cccc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920603 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)nc2c1 ZINC000586920617 JK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920710 JK Annotated Anodyne CCCCCOc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586920719 JK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920739 JK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 ZINC000586920747 JK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920787 JK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920788 JK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920796 JK Annotated Anodyne CSc1sc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920808 JK Annotated Bother CSc1sc(-c2nc3cc(Br)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920815 JK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920816 JK Annotated Anodyne O=S(=O)(CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920835 JK Annotated Anodyne CSc1sc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920852 JK Annotated Anodyne CSc1sc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920868 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000586920937 JK Annotated Anodyne CCCCOc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586921117 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586921160 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586921307 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586921313 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 ZINC000586921314 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586921322 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1 ZINC000586921439 JK Annotated Anodyne O=S(=O)(CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921459 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccccc4CS(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586921485 JK Annotated Clean CCS(=O)(=O)c1cccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000586921496 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1 ZINC000586921505 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1 ZINC000586921669 JK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586921751 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000586922062 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccccc1 ZINC000586922120 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1 ZINC000586922339 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586922581 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccccc1 ZINC000586922666 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4CS(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586922677 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586922729 JK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1 ZINC000586922742 JK Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586922747 JK Annotated Reactive CCS(=O)(=O)c1ccccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586923017 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c2cc1Br ZINC000586923038 JK Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)o1 ZINC000586923738 JK Annotated Bother CCCCCCCCOc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br ZINC000586924194 JK Annotated Mild O=S(=O)(/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586924217 JK Annotated Reactive O=S(=O)(/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586924218 JK Annotated Reactive COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586924337 JK Annotated Unstable CCCOc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1Br ZINC000586924353 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586924362 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586924393 JK Annotated Unstable COc1cc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924414 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586924561 JK Annotated Unstable COc1cc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924583 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586924596 JK Annotated Unstable O=S(=O)(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000586924622 JK Annotated Reactive N#Cc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1C(F)(F)F ZINC000586924867 JK Annotated Unstable CCCCCCCCOc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586924885 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586924888 JK Annotated Mild Cc1cc(Br)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586924923 JK Annotated Unstable Nc1ccc(-c2ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3c2)cc1N ZINC000586924929 JK Annotated Unstable Cc1c(Cl)ccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586924931 JK Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1Cl ZINC000586924951 JK Annotated Unstable Cc1c(Br)ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586924969 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1Cl ZINC000586924986 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586925017 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1Cl ZINC000586925056 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1Cl ZINC000586925069 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1Cl ZINC000586925135 JK Annotated Unstable COc1cc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925209 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586925241 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586925267 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586925268 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1Cl ZINC000586925276 JK Annotated Unstable CC(C)Oc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586925385 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586925454 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1Cl ZINC000586925495 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586925537 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1Cl ZINC000586925551 JK Annotated Unstable O=[N+]([O-])c1c(Br)ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586925566 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000586925660 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000586925666 JK Annotated Unstable Cc1cc(Br)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 ZINC000586925681 JK Annotated Unstable O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Cl ZINC000586925712 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1Cl ZINC000586925720 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1Cl ZINC000586925743 JK Annotated Unstable Cc1c(Br)ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586925766 JK Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925774 JK Annotated Bother Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1Cl ZINC000586925777 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1Cl ZINC000586925780 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1Cl ZINC000586925832 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586925898 JK Annotated Unstable CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1 ZINC000586925951 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586925957 JK Annotated Unstable CCCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Br ZINC000586926019 JK Annotated Unstable Cc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586926042 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1Cl ZINC000586926054 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1Cl ZINC000586926057 JK Annotated Unstable COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586926059 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1Cl ZINC000586926062 JK Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 ZINC000586926083 JK Annotated Unstable Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586926100 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1Cl ZINC000586926112 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000586926113 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586926156 JK Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 ZINC000586926160 JK Annotated Unstable O=S(=O)(/C=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1 ZINC000586926180 JK Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1 ZINC000586926188 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586926264 JK Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Cl ZINC000586926272 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1Cl ZINC000586926288 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586926431 JK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)CC1 ZINC000586926443 JK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000586926458 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(I)c3[nH]2)c1Cl ZINC000586926473 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000586926474 JK Annotated Unstable N#Cc1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586926475 JK Annotated Unstable CCCOc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586926489 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1Cl ZINC000586926504 JK Annotated Unstable CCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926514 JK Annotated Unstable CCc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926539 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1Cl ZINC000586926543 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1Cl ZINC000586926545 JK Annotated Unstable N#Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1C(F)(F)F ZINC000586926548 JK Annotated Unstable CCc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926608 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000586926615 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000586926622 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1Cl ZINC000586926626 JK Annotated Unstable CCc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926641 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000586926659 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586926687 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1Cl ZINC000586926697 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000586926699 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1Cl ZINC000586926724 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(I)cc3[nH]2)c1Cl ZINC000586926737 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000586926748 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000586926749 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000586926750 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000586926757 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000586926762 JK Annotated Unstable Cc1cc(Cl)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926776 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1Cl ZINC000586926778 JK Annotated Unstable CCCCOc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br ZINC000586926782 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586926812 JK Annotated Unstable Cc1nc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2cc1Br ZINC000586926821 JK Annotated Unstable Cc1cc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586926862 JK Annotated Unstable CCc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926871 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000586926916 JK Annotated Unstable CC(C)COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586926918 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000586926924 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1Cl ZINC000586926927 JK Annotated Unstable CC(C)Oc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926935 JK Annotated Unstable Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Cl ZINC000586927005 JK Annotated Unstable CCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Br ZINC000586927008 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000586927021 JK Annotated Unstable Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586927024 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000586927034 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586927054 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1Cl ZINC000586927059 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Cl ZINC000586927208 JK Annotated Unstable CCc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927235 JK Annotated Unstable Cc1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927241 JK Annotated Unstable O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c21 ZINC000586927265 JK Annotated Unstable Cc1c(Br)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1C ZINC000586927277 JK Annotated Unstable CCc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927290 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000586927308 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1Cl ZINC000586927335 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586927350 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1Cl ZINC000586927366 JK Annotated Unstable CC(C)(C)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586927371 JK Annotated Unstable Cc1cc(Br)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586927374 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586927376 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586927377 JK Annotated Unstable CCc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927380 JK Annotated Unstable CCc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927396 JK Annotated Unstable Cc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Cl ZINC000586927430 JK Annotated Anodyne C=CCc1cccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586927432 JK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586927447 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000586927449 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cl ZINC000586927451 JK Annotated Unstable Cc1c(Cl)ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586927468 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586927469 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1Cl ZINC000586927490 JK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1Cl ZINC000586927491 JK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1Cl ZINC000586927493 JK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000586927504 JK Annotated Unstable Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c32)n1 ZINC000586927509 JK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Cl)cc(F)c3[nH]2)CC1 ZINC000586927514 JK Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1Cl ZINC000586927523 JK Annotated Unstable N#Cc1cc(Br)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 ZINC000586927526 JK Annotated Unstable CCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586927541 JK Annotated Unstable COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Cl ZINC000586927549 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586927554 JK Annotated Unstable CCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586927606 JK Annotated Unstable Cc1cc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927636 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1Cl ZINC000586927682 JK Annotated Unstable CCc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927683 JK Annotated Unstable CCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Br ZINC000586927685 JK Annotated Unstable Cc1cc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927782 JK Annotated Unstable CCc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927797 JK Annotated Unstable CCCOc1cc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586927806 JK Annotated Unstable CCc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927821 JK Annotated Unstable CCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Br ZINC000586927829 JK Annotated Unstable CCCCOc1cc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586927832 JK Annotated Unstable CCc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927853 JK Annotated Unstable CC(C)CCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586927859 JK Annotated Unstable CCCOc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br ZINC000586927935 JK Annotated Unstable CC(C)COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br ZINC000586927939 JK Annotated Unstable Cc1cc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927960 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586927969 JK Annotated Unstable CCCCCOc1cc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586927998 JK Annotated Unstable CCCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586928014 JK Annotated Unstable CCc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586928042 JK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl ZINC000586928122 JK Annotated Unstable CCCCCOc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br ZINC000586928167 JK Annotated Unstable Cc1cc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928184 JK Annotated Unstable Cc1cc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928231 JK Annotated Unstable Cc1cc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928239 JK Annotated Unstable Cc1cc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928241 JK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586928300 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586928302 JK Annotated Unstable CC(C)CCOc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br ZINC000586928304 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1Cl ZINC000586928344 JK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1Cl ZINC000586928379 JK Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000586928613 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000586928676 JK Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928703 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000586928704 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)cc(C)c3[nH]2)c1 ZINC000586928718 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Cl)c(C)c3[nH]2)c1 ZINC000586928722 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 ZINC000586928742 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000586928831 JK Annotated Anodyne CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928968 JK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000586928979 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586929091 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000586929126 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000586929213 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000586929468 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000586929527 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000586929612 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000586930245 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)cc1 ZINC000586930298 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586930351 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)o1 ZINC000586930459 JK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 ZINC000586930538 JK Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586930635 JK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1 ZINC000586930640 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 ZINC000586930699 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586930717 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586930773 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 ZINC000586930803 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)cc1 ZINC000586930813 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)cc1 ZINC000586930842 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 ZINC000586930889 JK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000586930942 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(OC(C)C)cc3[nH]2)c1 ZINC000586930978 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 ZINC000586931030 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586931054 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586931063 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(S(=O)(=O)N(CC)CC)c3)[nH]c2cc1Br ZINC000586931093 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000586931179 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000586931234 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000586931246 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)cc1 ZINC000586931257 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 ZINC000586931304 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Br ZINC000586931322 JK Annotated Mild Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)cc1 ZINC000586931451 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586931611 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 ZINC000586931618 JK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)cc1 ZINC000586931623 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586931800 JK Annotated Reactive CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C ZINC000586932368 JK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C ZINC000586932370 JK Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C ZINC000586932903 JK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C ZINC000586932904 JK Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586933362 JK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586933365 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2cc1Br ZINC000586933609 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2cc1Br ZINC000586933612 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586934382 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586934386 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586934855 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586934859 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586935136 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586935150 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1C ZINC000586935251 JK Annotated Anodyne Cc1c(Br)cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1C ZINC000586935255 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586935270 JK Annotated Clean CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586935278 JK Annotated Clean CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586935280 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586935286 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586935315 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586935316 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586935317 JK Annotated Reactive CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586935319 JK Annotated Reactive CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586935356 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586935358 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586935393 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586935396 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586935397 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586935400 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586935577 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586935583 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586935864 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586935865 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586935896 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586935898 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586935955 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586935959 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586936339 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586936344 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586936351 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586936352 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586936383 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586936384 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000586936391 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000586936392 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1 ZINC000586936401 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1 ZINC000586936403 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586936431 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586936432 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586936597 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586936600 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586936827 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586936833 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586937459 JK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586937471 JK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586937483 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586937485 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N[C@@H](C)CC)cc3)nc2cc1Br ZINC000586937497 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)CC)cc3)nc2cc1Br ZINC000586937499 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586937527 JK Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586937534 JK Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586937603 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586937605 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586937659 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586937663 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1 ZINC000586937686 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1 ZINC000586937689 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586937953 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586937963 JK Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586937964 JK Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586937969 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586938022 JK Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586938025 JK Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586938117 JK Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586938118 JK Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586938142 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586938144 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586938531 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586938542 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586938656 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586938661 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586939138 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586939140 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586939162 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586939163 JK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586939194 JK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586939196 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586939272 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586939275 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586939495 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586939496 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586940001 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586940004 JK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586940026 JK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586940028 JK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000586940261 JK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000586940262 JK Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586940543 JK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586940547 JK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586940812 JK Annotated Reactive Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586940813 JK Annotated Reactive CCCCCOc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1Br ZINC000586940827 JK Annotated Anodyne CCCCCOc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1Br ZINC000586940828 JK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586941154 JK Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586941155 JK Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586941664 JK Annotated Anodyne O=S(=O)(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)s1 ZINC000586942580 JK Annotated Reactive O=S(=O)(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)s1 ZINC000586942703 JK Annotated Bother O=S(=O)(NCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)s1 ZINC000586942727 JK Annotated Anodyne O=S(=O)(NCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943108 JK Annotated Bother O=S(=O)(NCCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943352 JK Annotated Anodyne O=S(=O)(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943484 JK Annotated Reactive O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943537 JK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943538 JK Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)cc1 ZINC000586944785 JK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586945172 JK Annotated Bother O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586945187 JK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586945218 JK Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586945219 JK Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945235 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586945246 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586945307 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586945328 JK Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586945340 JK Annotated Reactive Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586945344 JK Annotated Reactive O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586945479 JK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586945526 JK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586945644 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586945822 JK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945855 JK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586945981 JK Annotated Reactive O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586946214 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586946234 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586946241 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586946326 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1C ZINC000586946448 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586946561 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)NCc4cccs4)[nH]c3c2)cc1 ZINC000586946588 JK Annotated Clean O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586946905 JK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2)c1C ZINC000586947012 JK Annotated Mild Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)c1C ZINC000586947016 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586947172 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586947242 JK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)c1C ZINC000586947250 JK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)c1C ZINC000586947499 JK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)c1C ZINC000586947574 JK Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586947719 JK Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586947778 JK Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586947886 JK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586947902 JK Annotated Bother C=CCc1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586947979 JK Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586947984 JK Annotated Bother CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586948002 JK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586948021 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586948023 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586948027 JK Annotated Bother O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586948069 JK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586948071 JK Annotated Anodyne Cc1cc(F)c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2c1 ZINC000586948141 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(F)cccc3[nH]2)cc1 ZINC000586948170 JK Annotated Anodyne Cc1cncc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586948174 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586948269 JK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586948373 JK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586948390 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000586948437 JK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000586948462 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586948480 JK Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000586948591 JK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586948811 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586948840 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586948841 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586948853 JK Annotated Bother COc1cncc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586948870 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586948874 JK Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586948970 JK Annotated Bother Cc1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586948992 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586949001 JK Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586949054 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586949143 JK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586949168 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586949175 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586949185 JK Annotated Bother O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2c1 ZINC000586949270 JK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(CC)cc3[nH]2)cc1 ZINC000586949281 JK Annotated Anodyne Cc1nccc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c12 ZINC000586949288 JK Annotated Anodyne C=CCc1cccc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c12 ZINC000586949309 JK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(SC)cc3[nH]2)cc1 ZINC000586949349 JK Annotated Anodyne Cc1ccnc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c12 ZINC000586949405 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586949430 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586949523 JK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586949546 JK Annotated Bother Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Cl ZINC000586949558 JK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586949575 JK Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586949577 JK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586949583 JK Annotated Bother COc1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2n1 ZINC000586949606 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 ZINC000586949684 JK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000586949688 JK Annotated Anodyne N#Cc1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586949762 JK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586949793 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950033 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586950041 JK Annotated Clean Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586950244 JK Annotated Bother C=CCc1cccc2[nH]c(-c3ccc(NS(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)cc3)nc12 ZINC000586950251 JK Annotated Mild Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)c(C)c1C ZINC000586950325 JK Annotated Anodyne O=S(=O)(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950378 JK Annotated Reactive CC(C)(C)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950478 JK Annotated Anodyne O=S(=O)(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950608 JK Annotated Bother O=S(=O)(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950690 JK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586950856 JK Annotated Anodyne O=S(=O)(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950940 JK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000586951096 JK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586951156 JK Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951227 JK Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951314 JK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)c(C)c1C ZINC000586951317 JK Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586951358 JK Annotated Reactive O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000586951430 JK Annotated Anodyne O=S(=O)(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951455 JK Annotated Anodyne O=S(=O)(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951588 JK Annotated Anodyne O=S(=O)(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951592 JK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000586951782 JK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(F)c(Cl)cc5[nH]4)[nH]c23)cc1 ZINC000586952294 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586952892 JK Annotated Reactive O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586952915 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586952946 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586953213 JK Annotated Bother COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Cl)cc(C#N)cc5[nH]4)[nH]c23)cc1 ZINC000586953322 JK Annotated Mild O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586953449 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586953450 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586953454 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586953707 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586953822 JK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Cl)c([N+](=O)[O-])cc5[nH]4)[nH]c23)cc1 ZINC000586953858 JK Annotated Bother O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586953867 JK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(ccc6ncccc65)[nH]4)[nH]c23)cc1 ZINC000586953962 JK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(F)c(F)c(Cl)cc5[nH]4)[nH]c23)cc1 ZINC000586953975 JK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586953988 JK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c6c(ccc5[nH]4)CCCC6)[nH]c23)cc1 ZINC000586954041 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Br ZINC000586954081 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)cc1 ZINC000586954100 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586954228 JK Annotated Anodyne Cc1c(Br)cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1C ZINC000586954239 JK Annotated Anodyne Cc1ccc2c(ccc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c32)n1 ZINC000586954245 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 ZINC000586954253 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954294 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cc(Br)c4[nH]3)CC2)cc1 ZINC000586954298 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954305 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954323 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)CC2)cc1 ZINC000586954349 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CC2)cc1 ZINC000586954441 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(F)c(Br)c4[nH]3)CC2)cc1 ZINC000586954444 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(SC(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954448 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954486 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954498 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954513 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586954533 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(Cl)c4[nH]3)CC2)cc1 ZINC000586954546 JK Annotated Anodyne N#Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1C(F)(F)F ZINC000586954564 JK Annotated Mild CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954566 JK Annotated Mild O=S(=O)(c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954573 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954604 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 ZINC000586954607 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 ZINC000586954626 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)cc1 ZINC000586954641 JK Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)c(F)c(F)c4[nH]3)CC2)cc1 ZINC000586954648 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC2)cc1 ZINC000586954666 JK Annotated Anodyne Cc1c(Br)ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586954733 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954743 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3c2)cc1 ZINC000586954770 JK Annotated Clean CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c5ccccc5c5ccccc5c4[nH]3)CC2)cc1 ZINC000586954781 JK Annotated Bother Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1Br ZINC000586954789 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 ZINC000586954820 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)c(Br)cnc4[nH]3)CC2)cc1 ZINC000586954876 JK Annotated Anodyne Cc1cc(Br)cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 ZINC000586954881 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586954898 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586954917 JK Annotated Anodyne Cc1c(Br)ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 ZINC000586954919 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 ZINC000586955003 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3c2)cc1N ZINC000586955017 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 ZINC000586955022 JK Annotated Bother O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 ZINC000586955029 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 ZINC000586955034 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 ZINC000586955084 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000586955089 JK Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)cc1 ZINC000586955107 JK Annotated Bother O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000586955126 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 ZINC000586955143 JK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586955163 JK Annotated Bother Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1Br ZINC000586955181 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)CC2)cc1 ZINC000586955182 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955197 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(OCc5ccccc5)c4[nH]3)CC2)cc1 ZINC000586955248 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955256 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955346 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Cl ZINC000586955372 JK Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CC2)cc1 ZINC000586955385 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955386 JK Annotated Anodyne Cc1cc(Br)cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586955436 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(Br)c4[nH]3)CC2)cc1 ZINC000586955513 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC2)cc1 ZINC000586955537 JK Annotated Clean CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c(F)c4[nH]3)CC2)cc1 ZINC000586955558 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Br)cnc(Cl)c4[nH]3)CC2)cc1 ZINC000586955564 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(SC(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586955583 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(F)c4[nH]3)CC2)cc1 ZINC000586955584 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955613 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586955618 JK Annotated Reactive O=S(=O)(c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955640 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955652 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586955691 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955722 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586955723 JK Annotated Mild O=S(=O)(c1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955749 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1)N1CCC1 ZINC000586955751 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)cc1 ZINC000586955843 JK Annotated Anodyne Cc1c(Br)cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1C ZINC000586955846 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1)N1CCC1 ZINC000586955902 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955903 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)cc1 ZINC000586955913 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586955977 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1)N1CCC1 ZINC000586955981 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956059 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956070 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1)N1CCC1 ZINC000586956142 JK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956165 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586956237 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2n1 ZINC000586956274 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586956284 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586956313 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000586956326 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586956352 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccc1Cl)N1CCc2ccccc21 ZINC000586956371 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586956375 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586956390 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586956395 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586956555 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586956559 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc4ncccc4c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956593 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586956672 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586956693 JK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586956711 JK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cnc4ccccc4c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956857 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956883 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)[nH]c32)n1 ZINC000586956933 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957426 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957427 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957428 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957429 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957488 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957489 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957490 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957491 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586957497 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586957498 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586957499 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586957500 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957522 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957523 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586957544 JK Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957633 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957634 JK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957665 JK Annotated Anodyne O=[S@](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957666 JK Annotated Anodyne O=[S@](Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957789 JK Annotated Anodyne O=[S@@](Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957792 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957819 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957820 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957823 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957825 JK Annotated Anodyne CC(C)Oc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586957932 JK Annotated Anodyne CC(C)Oc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586957933 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br ZINC000586958026 JK Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958032 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958039 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958041 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958044 JK Annotated Anodyne O=[S@](CCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958058 JK Annotated Anodyne O=[S@@](CCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958064 JK Annotated Anodyne O=[S@](CCCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958075 JK Annotated Anodyne O=[S@@](CCCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958079 JK Annotated Anodyne O=[S@](CCCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958090 JK Annotated Anodyne O=[S@@](CCCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958094 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958113 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958116 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958118 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958120 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958124 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958125 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958126 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958128 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000586958196 JK Annotated Anodyne O=[S@](Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958217 JK Annotated Anodyne CCCCOc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586958218 JK Annotated Anodyne O=[S@@](Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958222 JK Annotated Anodyne CCCCOc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586958223 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000586958237 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586958239 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586958242 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586958245 JK Annotated Clean O=[S@@](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958247 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586958248 JK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586958255 JK Annotated Anodyne O=[S@](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958256 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(O)cc3[nH]2)cc1 ZINC000586958274 JK Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586958304 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586958313 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586958344 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586958427 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586958439 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586958455 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586958480 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586958490 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586958496 JK Annotated Anodyne O=[S@](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958546 JK Annotated Anodyne O=[S@@](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958547 JK Annotated Anodyne O=[S@](CCCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958552 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958553 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)cc1N ZINC000586958579 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)cc1N ZINC000586958587 JK Annotated Anodyne O=[S@](CCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958664 JK Annotated Reactive O=[S@@](CCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958671 JK Annotated Reactive O=[S@](CCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958673 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958677 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586958752 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586958779 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586958813 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958927 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958929 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958931 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586958956 JK Annotated Anodyne CC(C)(SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O ZINC000586958995 JK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586959021 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586959022 JK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959199 JK Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959201 JK Annotated Anodyne O=[S@](CCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959219 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959222 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959238 JK Annotated Anodyne Cc1c(Br)cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1C ZINC000586959239 JK Annotated Anodyne Cc1c(Br)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1C ZINC000586959245 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586959251 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586959264 JK Annotated Mild N#Cc1cc(Br)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586959271 JK Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959276 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959280 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959285 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959287 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(C)nccc3[nH]2)cc1 ZINC000586959323 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959324 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959333 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959334 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959335 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586959340 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C)cc3[nH]2)cc1 ZINC000586959347 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(C)c3[nH]2)cc1 ZINC000586959396 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000586959429 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 ZINC000586959461 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccnc(OC)c3[nH]2)cc1 ZINC000586959479 JK Annotated Anodyne C=CCc1cccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c12 ZINC000586959492 JK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586959506 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959510 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959512 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586959515 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000586959527 JK Annotated Anodyne O=[S@](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959585 JK Annotated Anodyne O=[S@@](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959587 JK Annotated Anodyne O=[S@@](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959604 JK Annotated Reactive O=[S@](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959609 JK Annotated Reactive CC(C)COc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586959634 JK Annotated Anodyne CC(C)COc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586959638 JK Annotated Anodyne O=[S@@](CCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959652 JK Annotated Anodyne O=[S@](CCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959663 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586959667 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586959668 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c21 ZINC000586959693 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c21 ZINC000586959701 JK Annotated Clean Cc1c(Br)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1C ZINC000586959733 JK Annotated Anodyne Cc1c(Br)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1C ZINC000586959737 JK Annotated Anodyne O=[S@@](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959739 JK Annotated Anodyne O=[S@](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959743 JK Annotated Anodyne Cc1cc(Br)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586959795 JK Annotated Anodyne Cc1cc(Br)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586959797 JK Annotated Anodyne O=[S@](CCCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586959800 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586959801 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000586959815 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000586959821 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncc(OC)c3[nH]2)cc1 ZINC000586959825 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000586959828 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586959837 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncc(C)c3[nH]2)cc1 ZINC000586959841 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC)ncc3[nH]2)cc1 ZINC000586959844 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(O)c3[nH]2)cc1 ZINC000586959849 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586959851 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959861 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959862 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959865 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959866 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959867 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959869 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959888 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959891 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959892 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959894 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000586959909 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586959918 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586959958 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586959960 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(OC)c3[nH]2)cc1 ZINC000586959971 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586959979 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960002 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960006 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960011 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960014 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960043 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960047 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586960048 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960051 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960052 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586960058 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586960134 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586960139 JK Annotated Bother O=[S@](Cc1nc2cccc(I)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960212 JK Annotated Anodyne O=[S@@](Cc1nc2cccc(I)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960217 JK Annotated Anodyne O=[S@](CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 ZINC000586960269 JK Annotated Bother O=[S@@](CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 ZINC000586960272 JK Annotated Bother O=[S@](Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960305 JK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960306 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 ZINC000586960409 JK Annotated Anodyne COC(=O)c1cccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c12 ZINC000586960426 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586960429 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586960445 JK Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586960470 JK Annotated Reactive C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586960474 JK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586960495 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586960498 JK Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586960503 JK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586960505 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586960508 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(F)c3[nH]2)cc1 ZINC000586960554 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000586960572 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(C)=O)cc3[nH]2)cc1 ZINC000586960592 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586960695 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960696 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960700 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960704 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960705 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960708 JK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586960711 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960718 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960720 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960724 JK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586960730 JK Annotated Anodyne CCc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586960754 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960809 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960810 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960812 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960816 JK Annotated Anodyne N#Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586960825 JK Annotated Mild CCCOc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586960833 JK Annotated Anodyne CCCOc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586960834 JK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960882 JK Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960884 JK Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960926 JK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960928 JK Annotated Anodyne N#Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586961072 JK Annotated Mild N#Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586961073 JK Annotated Mild N#Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586961074 JK Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961082 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961083 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961084 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961085 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961086 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961087 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961088 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961089 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961090 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961091 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961092 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961093 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961099 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961100 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961101 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961102 JK Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961317 JK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961318 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586961321 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586961322 JK Annotated Anodyne O=[S@](CCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586961361 JK Annotated Bother O=[S@@](CCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586961363 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961401 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961402 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961403 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961404 JK Annotated Anodyne O=[S@](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961448 JK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961455 JK Annotated Anodyne O=[S@](Cc1nc2ccc(I)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961481 JK Annotated Anodyne O=[S@@](Cc1nc2ccc(I)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961484 JK Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961531 JK Annotated Anodyne O=[S@](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961534 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961566 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961572 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961573 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961575 JK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586961601 JK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586961602 JK Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961636 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961637 JK Annotated Anodyne O=[S@](CCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586961662 JK Annotated Bother O=[S@@](CCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586961663 JK Annotated Bother Cc1cc(Br)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586961664 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586961665 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586961712 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586961715 JK Annotated Mild O=[S@](Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961728 JK Annotated Anodyne O=[S@@](Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961729 JK Annotated Anodyne O=[S@@](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586961747 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 ZINC000586961750 JK Annotated Anodyne O=[S@](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586961752 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1N ZINC000586961753 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 ZINC000586961755 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1N ZINC000586961763 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1N ZINC000586961765 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1N ZINC000586961773 JK Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961784 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961788 JK Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586961790 JK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586961800 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961820 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961823 JK Annotated Bother Nc1ccc(Oc2ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586961872 JK Annotated Clean Nc1ccc(Oc2ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586961877 JK Annotated Clean O=[S@@](CCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961897 JK Annotated Anodyne O=[S@](CCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961898 JK Annotated Anodyne O=[S@](CCCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586961903 JK Annotated Anodyne O=[S@@](CCCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586961904 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961937 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961938 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961939 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961940 JK Annotated Anodyne Cc1c(Br)ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961950 JK Annotated Anodyne Cc1c(Br)ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961951 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000586961974 JK Annotated Clean Nc1ccc(Oc2ccc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000586961975 JK Annotated Clean CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586962075 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586962084 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586962086 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586962089 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962178 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962179 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962182 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962183 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586962188 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586962189 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586962196 JK Annotated Bother CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586962203 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586962205 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962208 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586962210 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962211 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962212 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962213 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586962217 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962244 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962246 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962247 JK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962250 JK Annotated Bother C[C@@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586962280 JK Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586962281 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586962329 JK Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586962347 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586962348 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962436 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962441 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962443 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962445 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586962465 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586962470 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586962472 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586962473 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586962479 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000586962485 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586962653 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586962654 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586962656 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586962658 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(OC)nc3[nH]2)cc1 ZINC000586962750 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)ccc1Cl ZINC000586962815 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962826 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962829 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962833 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000586962835 JK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962837 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl ZINC000586962855 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586962877 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586962879 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br ZINC000586962885 JK Annotated Mild Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586962886 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br ZINC000586962887 JK Annotated Mild Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Cl ZINC000586962889 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C)nc3[nH]2)cc1 ZINC000586962897 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Cl ZINC000586962914 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br ZINC000586962977 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br ZINC000586962978 JK Annotated Mild CCCCCCCCOc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1Br ZINC000586962979 JK Annotated Mild C[C@@H](Sc1ncccn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586963055 JK Annotated Reactive C[C@H](Sc1ncccn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586963056 JK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000586963104 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586963117 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586963119 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586963121 JK Annotated Anodyne Cc1ccc(SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)c1 ZINC000586963228 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1Cl ZINC000586963347 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586963370 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586963371 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586963374 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586963375 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(SC)cc3[nH]2)cc1 ZINC000586963425 JK Annotated Anodyne Cc1ccc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586963462 JK Annotated Reactive Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586963523 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1Cl ZINC000586963558 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586963560 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586963562 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586963581 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586963582 JK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586963691 JK Annotated Reactive C[C@@H](SCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586963693 JK Annotated Reactive Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Cl ZINC000586963700 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(Br)c3[nH]2)ccc1Cl ZINC000586963756 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c1 ZINC000586963773 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586963827 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586963831 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586963881 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586963882 JK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586963917 JK Annotated Bother Cc1ccc2c(ccc3nc(-c4ccc(Cl)c(NC(=O)CSc5nccn5C)c4)[nH]c32)n1 ZINC000586963967 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Cl ZINC000586963968 JK Annotated Anodyne Cc1ccc(SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C)c1 ZINC000586963999 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586964002 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586964010 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1Cl ZINC000586964024 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)ccc1Cl ZINC000586964029 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Cl ZINC000586964032 JK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000586964090 JK Annotated Anodyne CCCCOc1cc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586964105 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586964106 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586964111 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586964112 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1Cl ZINC000586964155 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Cl ZINC000586964161 JK Annotated Bother Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)ccc1Cl ZINC000586964162 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Cl ZINC000586964176 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccc1Cl ZINC000586964196 JK Annotated Anodyne Cc1ccc(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)c1 ZINC000586964200 JK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1Cl ZINC000586964232 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586964288 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586964289 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586964310 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586964311 JK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586964395 JK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586964396 JK Annotated Anodyne N#Cc1ccccc1SCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586964400 JK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586964422 JK Annotated Bother N#Cc1ccccc1SCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586964473 JK Annotated Mild CC(C)Cn1c(SCc2nc3cccc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964613 JK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586964615 JK Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586964622 JK Annotated Mild CC(C)Cn1c(SCc2nc3cc(C#N)c(C#N)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964672 JK Annotated Mild CC(C)Cn1c(SCc2nc3cccc(C(C)(C)C)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964683 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(C(N)=O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964702 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4c(cc3[nH]2)OCCO4)nnc1-c1ccc(Cl)cc1Cl ZINC000586964767 JK Annotated Anodyne COc1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586964769 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cncc([N+](=O)[O-])c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964772 JK Annotated Bother CSc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586964777 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)n2C)cc1 ZINC000586964778 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(S)nc(S)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964780 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cnc(Cl)[nH]c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964783 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3nc(Cl)c[nH]c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964784 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc4c(c3[nH]2)CCCC4)nnc1-c1ccc(Cl)cc1Cl ZINC000586964785 JK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586964788 JK Annotated Reactive COc1cc(OC)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586964789 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(CCO)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964792 JK Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586964796 JK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1C ZINC000586964800 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(F)c(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964801 JK Annotated Anodyne CCCOc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586964847 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586964849 JK Annotated Anodyne FC(F)(F)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586964875 JK Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586964905 JK Annotated Reactive N#Cc1nc(Cl)cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586964909 JK Annotated Mild CC(C)Cn1c(SCc2nc3ccc(C(N)=O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964926 JK Annotated Anodyne Cc1ccc(SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)c1 ZINC000586964938 JK Annotated Anodyne Cc1ccc(SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)c1 ZINC000586964985 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4ccccc4cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964988 JK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4cc5c(cc4[nH]3)OCCCO5)n2Cc2ccco2)cc1 ZINC000586965004 JK Annotated Anodyne O=C1CCc2cc3nc(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)[nH]c3cc2N1 ZINC000586965006 JK Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cn1 ZINC000586965010 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965012 JK Annotated Anodyne COc1cncc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965019 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(=O)O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965025 JK Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cn1 ZINC000586965030 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(OC(C)C)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965032 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccnc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965033 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(F)cnc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965038 JK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cn1 ZINC000586965045 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Cl)ccnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965046 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965047 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965048 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965062 JK Annotated Mild Cc1ccc(-c2nnc(SCc3nc4c(Br)ccc(Br)c4[nH]3)n2C)cc1 ZINC000586965072 JK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1C ZINC000586965082 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(F)cc(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965086 JK Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965090 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(CO)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965092 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(F)c(F)c(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965106 JK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1OC ZINC000586965108 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C#N)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965109 JK Annotated Mild CCCCOc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cc1Br ZINC000586965114 JK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965177 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586965217 JK Annotated Mild Cc1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586965226 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1 ZINC000586965252 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965267 JK Annotated Anodyne COc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2n1 ZINC000586965281 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965282 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nnc(-c5ccc(C)cc5)n4C)[nH]c3c2)cc1 ZINC000586965302 JK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1C ZINC000586965308 JK Annotated Anodyne Cc1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c(C)n1 ZINC000586965321 JK Annotated Anodyne Cc1cc(F)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586965346 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965347 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cncc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965364 JK Annotated Anodyne COC(=O)c1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965367 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(OC(C)C)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965379 JK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586965382 JK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2n1 ZINC000586965392 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(C(=O)O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965399 JK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1F ZINC000586965400 JK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc5c(c4[nH]3)CCCC5)n2Cc2ccco2)cc1 ZINC000586965402 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Cl)ncnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965406 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)n2C)cc1 ZINC000586965412 JK Annotated Anodyne N#Cc1ccccc1SCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586965457 JK Annotated Mild CCCCCCCCOc1cc2nc(CSc3ccccc3C#N)[nH]c2cc1Br ZINC000586965468 JK Annotated Mild CC(C)Cn1c(SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965518 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)n2C)cc1 ZINC000586965521 JK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4cc5cn[nH]c5cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586965527 JK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1F ZINC000586965534 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4c(cc3[nH]2)OCO4)nnc1-c1ccc(Cl)cc1Cl ZINC000586965537 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc12 ZINC000586965551 JK Annotated Anodyne CC(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965553 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965555 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965564 JK Annotated Bother CC(C)Cn1c(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965565 JK Annotated Bother Cc1ccc(-c2nnc(SCc3nc4cc(Br)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965577 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)nc(C#N)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965578 JK Annotated Mild CC(C)Cn1c(SCc2nc3ccc(C(C)(C)C)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965593 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965594 JK Annotated Anodyne CCCOc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cc1Br ZINC000586965598 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965609 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C#N)cc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965610 JK Annotated Mild CC(C)Cn1c(SCc2nc3cc(Cl)cc(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965631 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(F)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965638 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4cn[nH]c4cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965642 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)n2C)cc1 ZINC000586965650 JK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586965651 JK Annotated Bother C=CCc1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965656 JK Annotated Mild CC(C)Cn1c(SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965659 JK Annotated Bother Cc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Cl ZINC000586965667 JK Annotated Anodyne C=CCc1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586965686 JK Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965687 JK Annotated Anodyne Cc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965702 JK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1C ZINC000586965703 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)n2C)cc1 ZINC000586965704 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965708 JK Annotated Bother CCc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965724 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc12 ZINC000586965726 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965729 JK Annotated Anodyne Cc1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2cc1[N+](=O)[O-] ZINC000586965736 JK Annotated Bother CC(C)Cn1c(SCc2nc3cc(N)c(N)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965739 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cnc4ccccc4c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965740 JK Annotated Anodyne COc1nccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965744 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)n2C)cc1 ZINC000586965752 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)n2C)cc1 ZINC000586965763 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Cl)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965768 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965775 JK Annotated Bother COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Cl ZINC000586965792 JK Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965794 JK Annotated Anodyne Cc1c(F)ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965800 JK Annotated Anodyne CC(C)Oc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965802 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc12 ZINC000586965809 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965812 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)n2C)cc1 ZINC000586965819 JK Annotated Anodyne FC(F)(F)c1ncc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc-2[nH]1 ZINC000586965824 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(F)c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965835 JK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965836 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(C)(C)C)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965837 JK Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965840 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586965860 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)n2C)cc1 ZINC000586965861 JK Annotated Reactive Cc1ccc2c(ccc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c32)n1 ZINC000586965865 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc4ncccc4c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965869 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Cl)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965871 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)ncc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965876 JK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586965878 JK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(C#N)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965881 JK Annotated Mild Clc1ncc(Br)c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965900 JK Annotated Anodyne Clc1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965905 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3c2)cc1N ZINC000586965947 JK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)n2C)cc1 ZINC000586965952 JK Annotated Anodyne c1ccc(Cn2c(SCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nnc2C2CC2)cc1 ZINC000586965954 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nccn4-c4ccc(C)cc4C)[nH]c3c2)cc1 ZINC000586965990 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586966008 JK Annotated Anodyne c1ccc(Cn2c(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)nnc2C2CC2)cc1 ZINC000586966026 JK Annotated Bother CCCCCOc1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586966070 JK Annotated Anodyne c1ccc(Cn2c(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)nnc2C2CC2)cc1 ZINC000586966075 JK Annotated Bother N#Cc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586966077 JK Annotated Mild CCCCOc1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586966081 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(I)cc3[nH]2)c(C)c1 ZINC000586966090 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1Cl ZINC000586966103 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966105 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1Cl ZINC000586966107 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586966113 JK Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Cl ZINC000586966117 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1Cl ZINC000586966130 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nccn3-c3ccc(C)cc3C)nc2c1 ZINC000586966135 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)c(Br)cc3[nH]2)c(C)c1 ZINC000586966158 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)c1 ZINC000586966160 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccc(I)c3[nH]2)c(C)c1 ZINC000586966165 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c21 ZINC000586966194 JK Annotated Clean Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1 ZINC000586966196 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cn1 ZINC000586966215 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586966238 JK Annotated Reactive FC(F)(F)Sc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966239 JK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br ZINC000586966297 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966334 JK Annotated Anodyne Fc1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966388 JK Annotated Anodyne CCCOc1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586966392 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1 ZINC000586966399 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966424 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nccn3-c3ccc(C)cc3C)nc2c1 ZINC000586966442 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1Cl ZINC000586966457 JK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1Br ZINC000586966464 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586966502 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000586966503 JK Annotated Bother Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586966504 JK Annotated Anodyne c1ccc(COc2cccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c23)cc1 ZINC000586966511 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(Br)cnc(Br)c3[nH]2)c(C)c1 ZINC000586966517 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)c1 ZINC000586966520 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586966525 JK Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586966531 JK Annotated Reactive CCc1cc(O)nc(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000586966538 JK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586966610 JK Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000586966638 JK Annotated Anodyne Brc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1OCc1ccccc1 ZINC000586966661 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966681 JK Annotated Reactive Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586966691 JK Annotated Anodyne c1ccc(Cn2c(SCc3nc4ccc(Sc5ccccc5)cc4[nH]3)nnc2C2CC2)cc1 ZINC000586966693 JK Annotated Anodyne CCc1cc(O)nc(SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)n1 ZINC000586966708 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br ZINC000586966727 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1 ZINC000586966765 JK Annotated Anodyne CCCOc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1Br ZINC000586966772 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586966800 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1Cl ZINC000586966814 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966840 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(Br)ccc(Br)c3[nH]2)c(C)c1 ZINC000586966853 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1 ZINC000586966855 JK Annotated Clean Fc1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966881 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1Cl ZINC000586966884 JK Annotated Anodyne c1ccc(Cn2c(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)nnc2C2CC2)cc1 ZINC000586966898 JK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1Cl ZINC000586966906 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(CSc5nc(-c6cccnc6)no5)[nH]c4c3)o2)cc1 ZINC000586966920 JK Annotated Anodyne CCCCOc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586966933 JK Annotated Anodyne CC(C)COc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586966945 JK Annotated Anodyne CCCCCOc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586966948 JK Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586966968 JK Annotated Reactive O=C(O)c1cccnc1SCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586966984 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3nc(O)cc(CC)n3)[nH]c2cc1Br ZINC000586966985 JK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966987 JK Annotated Anodyne CCc1cc(O)nc(SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)n1 ZINC000586967005 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967029 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1Cl ZINC000586967084 JK Annotated Bother Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)c1 ZINC000586967094 JK Annotated Anodyne Fc1c(Br)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586967113 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000586967114 JK Annotated Bother Fc1c(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1F ZINC000586967139 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586967149 JK Annotated Anodyne Fc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1Br ZINC000586967153 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1Cl ZINC000586967156 JK Annotated Bother FC(F)(F)Oc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Cl ZINC000586967165 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)c1 ZINC000586967184 JK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586967194 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586967277 JK Annotated Mild CCCCCOc1cc2nc(CSc3nc(O)cc(CC)n3)[nH]c2cc1Br ZINC000586967304 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br ZINC000586967325 JK Annotated Mild CCCCCCCCOc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br ZINC000586967343 JK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967362 JK Annotated Anodyne CCCCCOc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br ZINC000586967369 JK Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)n1 ZINC000586967394 JK Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586967430 JK Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586967482 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C=O ZINC000586967510 JK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(C)(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000586967523 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(C)(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000586967525 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(C)(C)C)cc3[nH]2)C[C@H](C)O1 ZINC000586967527 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586967532 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586967533 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1C=O ZINC000586967534 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586967535 JK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Cl ZINC000586967540 JK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Cl ZINC000586967542 JK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Cl ZINC000586967545 JK Annotated Anodyne Cc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586967547 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(F)cnc(Br)c3[nH]2)c1C=O ZINC000586967558 JK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586967559 JK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586967560 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1Cl ZINC000586967561 JK Annotated Clean Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586967562 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C(F)(F)F)c3[nH]2)c1C=O ZINC000586967568 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1Cl ZINC000586967594 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1Cl ZINC000586967598 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C=O ZINC000586967615 JK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1Cl ZINC000586967616 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1Cl ZINC000586967630 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1C=O ZINC000586967646 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cnc3[nH]2)c1C=O ZINC000586967656 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1C=O ZINC000586967657 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)cc3[nH]2)c1C=O ZINC000586967659 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1Cl ZINC000586967663 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(OC(C)C)cc3[nH]2)c1C=O ZINC000586967667 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Br)ccnc3[nH]2)c1C=O ZINC000586967721 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1C=O ZINC000586967736 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc(C)c3[nH]2)c1C=O ZINC000586967741 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(C)(C)C)cc3[nH]2)c1C=O ZINC000586967743 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Cl ZINC000586967746 JK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586967748 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1Cl ZINC000586967749 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1Cl ZINC000586967855 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586967868 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586967870 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000586967872 JK Annotated Anodyne Cc1nc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2cc1Br ZINC000586967877 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Cl ZINC000586967878 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1C=O ZINC000586967882 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1C=O ZINC000586967893 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc(F)c3[nH]2)c1C=O ZINC000586967896 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(I)c3[nH]2)cc1Cl ZINC000586967897 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc4c(c3[nH]2)CCCC4)c1C=O ZINC000586967898 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)c(F)c3[nH]2)c1C=O ZINC000586967899 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1C=O ZINC000586967923 JK Annotated Mild Cc1cc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] ZINC000586967942 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1C=O ZINC000586967947 JK Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586967977 JK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586967984 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586967985 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586967986 JK Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968004 JK Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968005 JK Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968006 JK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968032 JK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968033 JK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968034 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968052 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C=O ZINC000586968058 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Cl ZINC000586968060 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C=O ZINC000586968061 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1C=O ZINC000586968062 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1C=O ZINC000586968063 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 ZINC000586968065 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1C=O ZINC000586968081 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1C=O ZINC000586968083 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc(F)c3[nH]2)cc1Cl ZINC000586968084 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)c(C)c3[nH]2)c1C=O ZINC000586968088 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 ZINC000586968093 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1C=O ZINC000586968097 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968112 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586968113 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4ccccc4cc3[nH]2)C[C@@H](C)O1 ZINC000586968114 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4ccccc4cc3[nH]2)C[C@@H](C)O1 ZINC000586968115 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4ccccc4cc3[nH]2)C[C@H](C)O1 ZINC000586968118 JK Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968132 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(I)cc3[nH]2)cc1Cl ZINC000586968136 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccnc(Br)c3[nH]2)c1C=O ZINC000586968141 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C(C)(C)C)c3[nH]2)c1C=O ZINC000586968194 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(Br)c3[nH]2)c1C=O ZINC000586968202 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1C=O ZINC000586968207 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)ncc3[nH]2)c1C=O ZINC000586968210 JK Annotated Anodyne CC(C)Oc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586968215 JK Annotated Anodyne CC(C)Oc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586968216 JK Annotated Anodyne CC(C)Oc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586968217 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968245 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968246 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968247 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br ZINC000586968254 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586968271 JK Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586968276 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)nc3[nH]2)c1C=O ZINC000586968285 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)c(F)cc3[nH]2)c1C=O ZINC000586968325 JK Annotated Anodyne COc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586968345 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cncc(Br)c3[nH]2)c1C=O ZINC000586968348 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(F)c(Br)c3[nH]2)c1C=O ZINC000586968367 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4c(c3[nH]2)CCCC4)C[C@@H](C)O1 ZINC000586968375 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4c(c3[nH]2)CCCC4)C[C@@H](C)O1 ZINC000586968378 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1Cl ZINC000586968380 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4c(c3[nH]2)CCCC4)C[C@H](C)O1 ZINC000586968381 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586968406 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586968414 JK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(C)(C)C)c3[nH]2)C[C@@H](C)O1 ZINC000586968440 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(C)(C)C)c3[nH]2)C[C@@H](C)O1 ZINC000586968441 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(C)(C)C)c3[nH]2)C[C@H](C)O1 ZINC000586968442 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H](C)O1 ZINC000586968448 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968451 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968452 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1Cl ZINC000586968455 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)C[C@H](C)O1 ZINC000586968474 JK Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968481 JK Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968482 JK Annotated Mild Cc1ccc2c(ccc3nc(CSc4c(C=O)c(C)nn4Cc4ccc(Cl)cc4)[nH]c32)n1 ZINC000586968507 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1C=O ZINC000586968518 JK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3cc(Br)c(F)cc3[nH]2)cc1Cl ZINC000586968525 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)c(F)c(F)c3[nH]2)c1C=O ZINC000586968527 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1C=O ZINC000586968530 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1C=O ZINC000586968532 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1C=O ZINC000586968541 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586968585 JK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H](C)O1 ZINC000586968626 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968628 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968631 JK Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968633 JK Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968637 JK Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968639 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968646 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968656 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968658 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Cl ZINC000586968674 JK Annotated Reactive Cc1ccc2c(ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@H](C)C4)[nH]c32)n1 ZINC000586968681 JK Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nc5ccccc5nc4N4C[C@@H](C)O[C@H](C)C4)[nH]c32)n1 ZINC000586968686 JK Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@@H](C)C4)[nH]c32)n1 ZINC000586968688 JK Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586968691 JK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H](C)O1 ZINC000586968693 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H](C)O1 ZINC000586968695 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H](C)O1 ZINC000586968699 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4c(cc3[nH]2)OCCCO4)c1C=O ZINC000586968718 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)cc(Br)c3[nH]2)c1C=O ZINC000586968720 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1C=O ZINC000586968732 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586968756 JK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1Cl ZINC000586968778 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586968798 JK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1Cl ZINC000586968804 JK Annotated Clean CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586968829 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586968835 JK Annotated Bother CCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br ZINC000586968854 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C=O ZINC000586968860 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C=O ZINC000586968862 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)cc3[nH]2)C[C@H](C)O1 ZINC000586968865 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586968867 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)c(F)c3[nH]2)cc1Cl ZINC000586968868 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586968871 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(F)cnc(Cl)c3[nH]2)c1C=O ZINC000586968888 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(C)c(Br)cnc3[nH]2)c1C=O ZINC000586968899 JK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(F)c(Br)c3[nH]2)cc1Cl ZINC000586968910 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C#N)cc(Cl)c3[nH]2)c1C=O ZINC000586968912 JK Annotated Mild Cc1ccc(-n2cnnc2SCc2nc3cc(F)cc(Br)c3[nH]2)cc1Cl ZINC000586968923 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1C=O ZINC000586968932 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)c(O)c3[nH]2)c1C=O ZINC000586968933 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586969000 JK Annotated Bother COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586969106 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586969117 JK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586969134 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586969136 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586969137 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br ZINC000586969195 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586969218 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586969232 JK Annotated Bother O=C(O)CSc1ncccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586969267 JK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H](C)O1 ZINC000586969291 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969293 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969294 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969300 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969302 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(F)c3[nH]2)C[C@H](C)O1 ZINC000586969303 JK Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586969351 JK Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586969352 JK Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586969354 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H](C)O1 ZINC000586969356 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969358 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969359 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969390 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969393 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586969396 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(I)c2[nH]1 ZINC000586969400 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586969413 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586969439 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586969513 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586969568 JK Annotated Bother COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Cl ZINC000586969640 JK Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Cl ZINC000586969641 JK Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Cl ZINC000586969642 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586969646 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969647 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969648 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586969665 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586969666 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586969667 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586969684 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586969685 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586969686 JK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586969718 JK Annotated Bother CSCC(C)(C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586969745 JK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(C)(C)C)nc3[nH]2)C[C@H](C)O1 ZINC000586969747 JK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(C)(C)C)nc3[nH]2)C[C@@H](C)O1 ZINC000586969751 JK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(C)(C)C)nc3[nH]2)C[C@@H](C)O1 ZINC000586969752 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br ZINC000586969759 JK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586969784 JK Annotated Bother CCCCCCCCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br ZINC000586969937 JK Annotated Mild Cc1cc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586969946 JK Annotated Bother c1ccc(C(SCCc2nc3cc4cn[nH]c4cc3[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000586969973 JK Annotated Anodyne O=[N+]([O-])c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586969989 JK Annotated Bother CCCC(Br)(CCC)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586970180 JK Annotated Anodyne COC(=O)c1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000586970187 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1Br ZINC000586970211 JK Annotated Mild O=C1COc2cc3[nH]c(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3cc2N1 ZINC000586970236 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586970262 JK Annotated Anodyne C=CCc1cccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586970284 JK Annotated Mild CSc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586970391 JK Annotated Anodyne CSc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586970392 JK Annotated Anodyne CSc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586970393 JK Annotated Anodyne CCCCCOc1cc2nc(C(Br)(CCC)CCC)[nH]c2cc1Br ZINC000586970483 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586970600 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](Br)C(C)(C)OC)[nH]c4c3)o2)cc1 ZINC000586970603 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Br)C(C)(C)OC)[nH]c4c3)o2)cc1 ZINC000586970605 JK Annotated Reactive O=[N+]([O-])c1cnc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 ZINC000586970646 JK Annotated Bother N[C@H](N=O)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586970666 JK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586970667 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000586970778 JK Annotated Reactive COC(=O)c1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000586970779 JK Annotated Reactive CCCC(Br)(CCC)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586970798 JK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586970819 JK Annotated Reactive Cc1ccc(CSCCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586970913 JK Annotated Anodyne c1ccc(C(SCCc2nc3cc4c(cc3[nH]2)OCCO4)(c2ccccc2)c2ccccc2)cc1 ZINC000586970932 JK Annotated Anodyne c1ccc(C(SCCc2nc3ccc(-n4cnnn4)cc3[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000586970944 JK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586970979 JK Annotated Anodyne Cc1ccc(CSCCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586971023 JK Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586971054 JK Annotated Bother c1ccc(C(SCCc2nc3cc4c(cc3[nH]2)OCCCO4)(c2ccccc2)c2ccccc2)cc1 ZINC000586971056 JK Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586971106 JK Annotated Bother COC(C)(C)[C@@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586971167 JK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586971170 JK Annotated Reactive CCCC(Br)(CCC)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586971237 JK Annotated Anodyne Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000586971239 JK Annotated Anodyne Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586971301 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586971309 JK Annotated Anodyne Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586971391 JK Annotated Anodyne O=C1CCc2cc3nc(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)[nH]c3cc2N1 ZINC000586971464 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586971495 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCSCc4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586971543 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 ZINC000586971555 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586971580 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586971753 JK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586971766 JK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586971768 JK Annotated Reactive CCCC(Br)(CCC)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586971772 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Br ZINC000586971869 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Br ZINC000586971870 JK Annotated Reactive CCCC(Br)(CCC)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586971876 JK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586971878 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586971922 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586971924 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586971961 JK Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586971968 JK Annotated Reactive CCCCCCCCOc1cc2nc(CCCCBr)[nH]c2cc1Br ZINC000586972046 JK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972114 JK Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586972194 JK Annotated Clean CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586972210 JK Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586972212 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586972214 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586972225 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586972227 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCCCBr)nc2c1 ZINC000586972428 JK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586972511 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586972512 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586972532 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586972533 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586972669 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586972674 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 ZINC000586972685 JK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 ZINC000586972690 JK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586973045 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586973047 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586973064 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586973065 JK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586973102 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586973108 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586973120 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586973121 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586973144 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586973151 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586973218 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586973220 JK Annotated Reactive CC(C)Oc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586973322 JK Annotated Reactive CC(C)Oc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586973323 JK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 ZINC000586973353 JK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 ZINC000586973354 JK Annotated Reactive CCCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586973371 JK Annotated Reactive CCCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586973372 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586973405 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586973406 JK Annotated Reactive CCCCOc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586973530 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586973533 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3c2)cc1 ZINC000586973595 JK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)cc1 ZINC000586973597 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@H](CSCc5ccccc5)NC(C)=O)[nH]c4c3)o2)cc1 ZINC000586973672 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CSCc5ccccc5)NC(C)=O)[nH]c4c3)o2)cc1 ZINC000586973681 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586973701 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586973702 JK Annotated Anodyne Clc1c[nH]c2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc-2n1 ZINC000586973709 JK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586973745 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586973746 JK Annotated Reactive COC(=O)c1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586973757 JK Annotated Reactive COC(=O)c1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586973758 JK Annotated Reactive CC(C)COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586973761 JK Annotated Reactive CC(C)COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586973762 JK Annotated Reactive Oc1nc(NCc2ccccc2)c2nc(-c3cc(Cl)cc(Cl)c3Br)nc-2[nH]1 ZINC000586974003 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586974106 JK Annotated Reactive CCCCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586974108 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586974134 JK Annotated Reactive CC(C)Oc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586974135 JK Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586974136 JK Annotated Reactive CC(C)CCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586974150 JK Annotated Reactive CC(C)CCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586974153 JK Annotated Reactive FC(F)(F)c1c(Br)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586974198 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586974204 JK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586974268 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586974269 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586974375 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586974376 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586974439 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586974440 JK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586974479 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586974482 JK Annotated Reactive COC(=O)c1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586974504 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586974506 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cn1 ZINC000586974520 JK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586974531 JK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586974536 JK Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1OC ZINC000586974585 JK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1OC ZINC000586974587 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cc1F ZINC000586974608 JK Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586974650 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586974651 JK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586974661 JK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586974663 JK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1OC ZINC000586974681 JK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1OC ZINC000586974683 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586974708 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586974719 JK Annotated Anodyne CCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586974762 JK Annotated Reactive CCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586974764 JK Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586974780 JK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586974782 JK Annotated Anodyne CCCOc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586974919 JK Annotated Anodyne CCCOc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586974920 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586975025 JK Annotated Anodyne Fc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c(F)c1F ZINC000586975118 JK Annotated Mild Oc1nccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975169 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586975207 JK Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586975211 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586975227 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586975250 JK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1OC ZINC000586975305 JK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1OC ZINC000586975307 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1F ZINC000586975319 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586975321 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Cl ZINC000586975324 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586975326 JK Annotated Anodyne Cc1cc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586975333 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586975365 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccc(Br)c(OC)c4)[nH]c3c2)cc1 ZINC000586975380 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccc(Br)c(OC)c4)[nH]c3c2)cc1 ZINC000586975381 JK Annotated Anodyne Cc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586975383 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586975399 JK Annotated Mild CC1=C(c2ccc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3c2)NNC(=O)C1 ZINC000586975408 JK Annotated Anodyne Cc1cc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Br ZINC000586975483 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000586975543 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586975546 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586975549 JK Annotated Anodyne Cc1cc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586975552 JK Annotated Anodyne Cc1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c(C)n1 ZINC000586975565 JK Annotated Anodyne Cc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1C ZINC000586975568 JK Annotated Anodyne CCc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975581 JK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586975590 JK Annotated Mild CC(C)COc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586975596 JK Annotated Anodyne N#Cc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975605 JK Annotated Mild Clc1cc(Cl)c(Br)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000586975606 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000586975614 JK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586975637 JK Annotated Mild Clc1cc(Cl)c(Br)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586975650 JK Annotated Anodyne Cc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975668 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(Br)c1OC ZINC000586975672 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(Br)c1OC ZINC000586975674 JK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC ZINC000586975681 JK Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC ZINC000586975683 JK Annotated Reactive Clc1cc(Cl)c(Br)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586975686 JK Annotated Anodyne N#Cc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975689 JK Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000586975691 JK Annotated Mild Cc1cncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975695 JK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586975696 JK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cnccc2[nH]1 ZINC000586975706 JK Annotated Anodyne Cc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975719 JK Annotated Anodyne Clc1ncc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc-2[nH]1 ZINC000586975721 JK Annotated Mild Nc1ncnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586975805 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1F ZINC000586975813 JK Annotated Mild Clc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c(Cl)n1 ZINC000586975830 JK Annotated Mild COc1cc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586975847 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586975853 JK Annotated Anodyne Cc1cc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586975864 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Br ZINC000586975980 JK Annotated Anodyne COc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Br ZINC000586975987 JK Annotated Anodyne Clc1ccc(OCc2nc3ccc(I)cc3[nH]2)c(Br)c1 ZINC000586975998 JK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1OC ZINC000586976031 JK Annotated Bother CCc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1Br ZINC000586976032 JK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1OC ZINC000586976033 JK Annotated Bother FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 ZINC000586976034 JK Annotated Reactive CCCCOc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586976046 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586976084 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586976092 JK Annotated Bother CCc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1Br ZINC000586976094 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586976121 JK Annotated Anodyne Oc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976213 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586976290 JK Annotated Mild COc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586976321 JK Annotated Bother COc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586976324 JK Annotated Bother Cc1ccc(C)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586976355 JK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ncc[nH]c-2n1 ZINC000586976358 JK Annotated Anodyne Cc1cc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Br ZINC000586976368 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 ZINC000586976381 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1Br ZINC000586976392 JK Annotated Anodyne Cc1ccnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586976394 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586976409 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586976412 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586976427 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586976428 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Br ZINC000586976431 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Br ZINC000586976432 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586976433 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586976434 JK Annotated Anodyne Cc1cc(Cc2nc3c(Br)ccc(Br)c3[nH]2)ccc1Br ZINC000586976435 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586976438 JK Annotated Bother COc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586976439 JK Annotated Bother Cc1cc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1Br ZINC000586976452 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Br ZINC000586976459 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Br ZINC000586976460 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586976491 JK Annotated Anodyne Clc1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)c(Br)c1 ZINC000586976493 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586976495 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586976506 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)cc(Br)c1OC ZINC000586976513 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)cc(Br)c1OC ZINC000586976514 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(I)cc3[nH]2)cc(Br)c1OC ZINC000586976516 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(I)cc3[nH]2)cc(Br)c1OC ZINC000586976522 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586976554 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586976558 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(C)c(Br)cnc3[nH]2)cc(Br)c1OC ZINC000586976562 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(C)c(Br)cnc3[nH]2)cc(Br)c1OC ZINC000586976566 JK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1OC ZINC000586976576 JK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1OC ZINC000586976579 JK Annotated Anodyne CCc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1Br ZINC000586976645 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Br)c1OC ZINC000586976669 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586976675 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Br)c1OC ZINC000586976677 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586976767 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586976781 JK Annotated Bother CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586976788 JK Annotated Bother FS(F)(F)(F)(F)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586976791 JK Annotated Reactive Clc1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)c(Br)c1 ZINC000586976833 JK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccccc2[nH]1 ZINC000586976837 JK Annotated Anodyne Oc1ncnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586976877 JK Annotated Anodyne Fc1c(Br)cc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1F ZINC000586976884 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)cc1 ZINC000586976898 JK Annotated Anodyne Cc1ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c1C ZINC000586976905 JK Annotated Mild Oc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976961 JK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cnncc2[nH]1 ZINC000586976964 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(Br)c(C)c4)[nH]c3c2)cc1 ZINC000586977048 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(Br)c(OC)c3)nc2c1 ZINC000586977049 JK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586977052 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(Br)c(OC)c3)nc2c1 ZINC000586977057 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Br ZINC000586977063 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Br ZINC000586977065 JK Annotated Anodyne Cc1cc(C)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977069 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586977073 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586977074 JK Annotated Anodyne Nc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586977083 JK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586977087 JK Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586977091 JK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586977095 JK Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586977098 JK Annotated Anodyne Oc1nncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977099 JK Annotated Anodyne Cc1cc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Br ZINC000586977109 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586977123 JK Annotated Anodyne Clc1c[nH]c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc-2n1 ZINC000586977124 JK Annotated Mild CCCCOc1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586977127 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586977142 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586977143 JK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc-2[nH]1 ZINC000586977152 JK Annotated Mild COc1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586977160 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586977163 JK Annotated Anodyne Fc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977177 JK Annotated Anodyne COc1cc(/C=C/c2nc3cccc(I)c3[nH]2)ccc1Br ZINC000586977206 JK Annotated Anodyne COc1cc(/C=C\c2nc3cccc(I)c3[nH]2)ccc1Br ZINC000586977207 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586977222 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977254 JK Annotated Reactive CCOc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977256 JK Annotated Reactive CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Br)c1OC ZINC000586977270 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Br)c1OC ZINC000586977272 JK Annotated Anodyne Clc1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)c(Br)c1 ZINC000586977274 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc(Br)c1OC ZINC000586977291 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc(Br)c1OC ZINC000586977292 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977304 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977305 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586977319 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cn1 ZINC000586977336 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)c1OC ZINC000586977351 JK Annotated Bother CCOc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)c1OC ZINC000586977353 JK Annotated Bother Clc1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)c(Br)c1 ZINC000586977383 JK Annotated Anodyne CCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1Br ZINC000586977385 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977394 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977398 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977403 JK Annotated Mild CCOc1cc(/C=C/c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977406 JK Annotated Mild CCOc1cc(/C=C/c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(Br)c1OC ZINC000586977432 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(Br)c1OC ZINC000586977434 JK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cncnc2[nH]1 ZINC000586977470 JK Annotated Anodyne Nc1ccnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977472 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(Br)c(OC)c3)nc2c1 ZINC000586977474 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(Br)c(OC)c3)nc2c1 ZINC000586977476 JK Annotated Anodyne Clc1ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2n1 ZINC000586977514 JK Annotated Mild COc1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Br ZINC000586977522 JK Annotated Anodyne Nc1nccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977523 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Br ZINC000586977524 JK Annotated Anodyne Cc1cc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Br ZINC000586977532 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586977538 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586977539 JK Annotated Anodyne Cc1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977558 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(Br)c(C)c5)[nH]c4c3)o2)cc1 ZINC000586977564 JK Annotated Anodyne Cc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1C ZINC000586977568 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586977573 JK Annotated Anodyne Fc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977601 JK Annotated Anodyne Cc1nccc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977603 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccc(Cl)cc3Br)[nH]c21 ZINC000586977606 JK Annotated Clean Cc1c(F)ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586977610 JK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cccnc2[nH]1 ZINC000586977616 JK Annotated Anodyne Cc1cc(Cc2nc3c(Br)cnc(Br)c3[nH]2)ccc1Br ZINC000586977625 JK Annotated Anodyne Fc1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977626 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(CC)c(Br)c3)[nH]c2cc1Br ZINC000586977637 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586977653 JK Annotated Anodyne CCc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1Br ZINC000586977668 JK Annotated Anodyne Clc1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)c(Br)c1 ZINC000586977688 JK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586977715 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Br)c1OC ZINC000586977719 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Br)c1OC ZINC000586977720 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(I)c3[nH]2)cc(Br)c1OC ZINC000586977725 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(I)c3[nH]2)cc(Br)c1OC ZINC000586977726 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977732 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977733 JK Annotated Anodyne FC(F)(F)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Br ZINC000586977745 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)c(C)c3[nH]2)cc(Br)c1OC ZINC000586977772 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c(C)c3[nH]2)cc(Br)c1OC ZINC000586977773 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977776 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977777 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Br)c1OC ZINC000586977790 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Br)c1OC ZINC000586977795 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586977808 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977826 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977830 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586977834 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586977839 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586977849 JK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586977850 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586977852 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(Br)c(C)c3)nc2c1 ZINC000586977855 JK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586977869 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Br ZINC000586977882 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cnc3[nH]2)cc(Br)c1OC ZINC000586977883 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)cc(Br)c1OC ZINC000586977884 JK Annotated Anodyne COc1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Br ZINC000586977886 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Br ZINC000586977894 JK Annotated Clean CCOc1cc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977895 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586977896 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Br ZINC000586977897 JK Annotated Clean CCCCOc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1Br ZINC000586977929 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586977951 JK Annotated Anodyne Clc1ccc(OCc2nc3cccc(I)c3[nH]2)c(Br)c1 ZINC000586977972 JK Annotated Anodyne CC(C)COc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Br ZINC000586977976 JK Annotated Anodyne Clc1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)c(Br)c1 ZINC000586977996 JK Annotated Anodyne CCc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000586977997 JK Annotated Anodyne CCc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1Br ZINC000586978006 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Br)c1OC ZINC000586978030 JK Annotated Bother CCOc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Br)c1OC ZINC000586978034 JK Annotated Bother CCc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1Br ZINC000586978038 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978045 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978048 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Cl ZINC000586978050 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978057 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978059 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Br)c1OC ZINC000586978061 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Br)c1OC ZINC000586978062 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586978088 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586978123 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586978146 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)cc(Br)c1OC ZINC000586978152 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)cc(Br)c1OC ZINC000586978155 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586978162 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978178 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978180 JK Annotated Anodyne Cc1cc(Cc2nc3cc(Br)c(Br)cc3[nH]2)ccc1Br ZINC000586978203 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586978231 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586978233 JK Annotated Anodyne CC(C)Oc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Br ZINC000586978238 JK Annotated Anodyne Clc1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)c(Br)c1 ZINC000586978243 JK Annotated Anodyne Clc1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)c(Br)c1 ZINC000586978261 JK Annotated Anodyne CCc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1Br ZINC000586978279 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978318 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978319 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Br)c1OC ZINC000586978349 JK Annotated Bother CCOc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Br)c1OC ZINC000586978350 JK Annotated Bother CCOc1cc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978373 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978374 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1OC ZINC000586978377 JK Annotated Bother CCOc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1OC ZINC000586978378 JK Annotated Bother CCOc1cc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978383 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978384 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586978402 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978427 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978428 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)cc(Br)c1OC ZINC000586978431 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)cc(Br)c1OC ZINC000586978432 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2c1 ZINC000586978434 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2c1 ZINC000586978435 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC ZINC000586978458 JK Annotated Bother CCOc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC ZINC000586978459 JK Annotated Bother CCOc1cc(/C=C/c2nc3cc(Br)cc(C)c3[nH]2)cc(Br)c1OC ZINC000586978481 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(C)c3[nH]2)cc(Br)c1OC ZINC000586978482 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(Br)c1OC ZINC000586978487 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(Br)c1OC ZINC000586978488 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(C)nc3[nH]2)cc(Br)c1OC ZINC000586978489 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(C)nc3[nH]2)cc(Br)c1OC ZINC000586978490 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)cc(Br)c1OC ZINC000586978498 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)cc(Br)c1OC ZINC000586978499 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978507 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978508 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C#N)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978517 JK Annotated Mild CCOc1cc(/C=C/c2nc3cc(C#N)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978518 JK Annotated Mild CCOc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978522 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978523 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978536 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978537 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978560 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978561 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978589 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978590 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc(Br)c1OC ZINC000586978615 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc(Br)c1OC ZINC000586978616 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(Br)c1OC ZINC000586978618 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(Br)c1OC ZINC000586978619 JK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586978623 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)cc(Br)c1OC ZINC000586978624 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)cc(Br)c1OC ZINC000586978625 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586978630 JK Annotated Clean CCOc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586978631 JK Annotated Clean CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978648 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978649 JK Annotated Anodyne Cc1cc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c(C)n1 ZINC000586978686 JK Annotated Mild CCCCOc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586978694 JK Annotated Anodyne Cc1cc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2cc1[N+](=O)[O-] ZINC000586978713 JK Annotated Mild Cc1ncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br ZINC000586978730 JK Annotated Anodyne Cc1nn(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)c1Br ZINC000586978737 JK Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586978749 JK Annotated Mild CC(C)(C)c1ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2n1 ZINC000586978751 JK Annotated Mild COC(=O)c1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586978755 JK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586978774 JK Annotated Mild Sc1nc(S)c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2n1 ZINC000586978796 JK Annotated Mild Cc1ncc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C)c1Br ZINC000586978800 JK Annotated Anodyne Cc1ncc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1Br ZINC000586978810 JK Annotated Anodyne Cc1ncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586978823 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586978829 JK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586978830 JK Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586978844 JK Annotated Mild Clc1nccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Br ZINC000586978886 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586978904 JK Annotated Mild Cc1nn(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)c1Br ZINC000586978922 JK Annotated Anodyne C=CCc1cccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586978928 JK Annotated Mild CCCCCOc1cc2nc(-c3[nH]nc(OCC)c3Br)[nH]c2cc1Br ZINC000586978958 JK Annotated Anodyne Cc1ncc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979031 JK Annotated Anodyne COc1nccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586979042 JK Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586979046 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979066 JK Annotated Anodyne CCCCCOc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586979112 JK Annotated Anodyne Clc1nccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Br ZINC000586979139 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979147 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586979168 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979189 JK Annotated Anodyne Cc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979208 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cnc(C)c(Br)c4C)[nH]c3c2)cc1 ZINC000586979216 JK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1Br ZINC000586979244 JK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(NN=Cc5ccccc5Br)ccc4Cl)nc3cc2N1 ZINC000586979266 JK Annotated Mild O=[N+]([O-])c1cccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586979267 JK Annotated Mild Cc1ncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979320 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(C)c(Br)c5C)[nH]c4c3)o2)cc1 ZINC000586979357 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000586979358 JK Annotated Bother CCCCOc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586979371 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccnc(Cl)c5Br)[nH]c4c3)o2)cc1 ZINC000586979379 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979381 JK Annotated Anodyne Clc1nccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1Br ZINC000586979434 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979443 JK Annotated Bother Cc1ncc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979453 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979464 JK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586979472 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000586979488 JK Annotated Bother CC(C)CCOc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979580 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586979591 JK Annotated Bother FC(F)(F)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979599 JK Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1Br ZINC000586979621 JK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Br ZINC000586979670 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979690 JK Annotated Anodyne CCCCOc1cc2nc(-c3[nH]nc(OCC)c3Br)[nH]c2cc1Br ZINC000586979691 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979697 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 ZINC000586979705 JK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586979750 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000586979778 JK Annotated Bother CCCCCOc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979795 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000586979835 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979855 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(OC(C)C)cc2[nH]1 ZINC000586979856 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979872 JK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586979891 JK Annotated Bother Cc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979988 JK Annotated Bother Cc1c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979996 JK Annotated Bother Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980002 JK Annotated Bother Cc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980020 JK Annotated Bother Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980026 JK Annotated Bother Cc1c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980032 JK Annotated Bother CCCOc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1Br ZINC000586980040 JK Annotated Anodyne Cc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980052 JK Annotated Bother Cc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980057 JK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000586980077 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000586980080 JK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586980081 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000586980091 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980145 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000586980146 JK Annotated Anodyne Cc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980190 JK Annotated Reactive Cc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980214 JK Annotated Bother Cc1c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980215 JK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586980237 JK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586980253 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000586980274 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000586980280 JK Annotated Bother FC(F)(F)Oc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980286 JK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586980288 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980302 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Br ZINC000586980306 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2c1 ZINC000586980321 JK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586980363 JK Annotated Clean CCCCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000586980368 JK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)c(C)c(Br)cc2[nH]1 ZINC000586980408 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980409 JK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586980423 JK Annotated Anodyne Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980430 JK Annotated Bother Cc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980432 JK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586980435 JK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586980436 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980454 JK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586980478 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980481 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000586980496 JK Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586980534 JK Annotated Reactive COc1cc(Br)cc(C=O)c1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586980540 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980559 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000586980573 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1C ZINC000586980577 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000586980584 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000586980603 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586980620 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586980623 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586980660 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586980678 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586980790 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586980796 JK Annotated Anodyne CCCCOc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1Br ZINC000586980803 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c12 ZINC000586980812 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000586980824 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586980869 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586980875 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000586980881 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1 ZINC000586980896 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586980906 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000586980907 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000586980913 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586980916 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586980938 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586980944 JK Annotated Mild Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(I)cc2[nH]1 ZINC000586980958 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586980974 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586980982 JK Annotated Bother CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586980986 JK Annotated Bother CCCCCCOc1ccc(Br)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586981003 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586981007 JK Annotated Bother CCCCCOc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1Br ZINC000586981021 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586981029 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586981035 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586981041 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586981046 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586981059 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586981124 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586981126 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 ZINC000586981141 JK Annotated Clean Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000586981144 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586981163 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc12 ZINC000586981165 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586981193 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000586981194 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000586981224 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000586981225 JK Annotated Clean CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586981236 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586981237 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000586981242 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2c1 ZINC000586981248 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586981257 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 ZINC000586981274 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586981275 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586981280 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586981282 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586981309 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586981311 JK Annotated Clean Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000586981316 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586981326 JK Annotated Bother CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586981328 JK Annotated Mild CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586981335 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586981343 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586981348 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586981352 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000586981354 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586981356 JK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586981361 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000586981365 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586981395 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586981396 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4ccc(Br)cc4C)[nH]c3c2)cc1 ZINC000586981435 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586981441 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000586981464 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586981470 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586981511 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586981514 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(I)cccc2[nH]1 ZINC000586981528 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c1 ZINC000586981534 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586981593 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000586981600 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586981606 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586981649 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000586981652 JK Annotated Anodyne Cc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Br ZINC000586981654 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586981657 JK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc(Br)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586981660 JK Annotated Anodyne CCCOc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1Br ZINC000586981673 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586981674 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586981684 JK Annotated Bother CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586981690 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000586981691 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586981692 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586981708 JK Annotated Anodyne Cc1nc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2cc1Br ZINC000586981710 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586981712 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586981714 JK Annotated Mild CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586981715 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586981719 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586981729 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586981752 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586981771 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586981775 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586981779 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586981782 JK Annotated Mild CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586981783 JK Annotated Mild CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586981801 JK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586981802 JK Annotated Anodyne CC1=C(c2ccc3nc([C@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586981803 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586981808 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc12 ZINC000586981809 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc12 ZINC000586981812 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586981856 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(Br)cc3C)nc2c1 ZINC000586981862 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000586981874 JK Annotated Anodyne Cc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586981877 JK Annotated Anodyne Cc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586981887 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586981899 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000586981928 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586981929 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586981931 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586981932 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586981941 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586981964 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586981981 JK Annotated Bother O=Cc1cc(Br)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586981982 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000586981984 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586982010 JK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000586982014 JK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586982036 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586982045 JK Annotated Mild Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000586982050 JK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2c1 ZINC000586982052 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2c1 ZINC000586982058 JK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586982062 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(I)ccc2[nH]1 ZINC000586982069 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(Br)ccc4OCCC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586982091 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586982095 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586982103 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982104 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586982115 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586982120 JK Annotated Reactive CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586982129 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586982133 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586982136 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586982139 JK Annotated Mild CCCCCCOc1ccc(Br)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586982152 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586982155 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586982160 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586982166 JK Annotated Mild CCCCCCOc1ccc(Br)cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586982169 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586982173 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586982174 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586982175 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586982176 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586982181 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586982182 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586982247 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 ZINC000586982254 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 ZINC000586982259 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 ZINC000586982277 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 ZINC000586982279 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586982294 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586982297 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982303 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982305 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586982334 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586982340 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586982345 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586982346 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586982371 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586982372 JK Annotated Bother CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586982374 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586982377 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586982378 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586982387 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586982388 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982389 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586982390 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586982395 JK Annotated Clean CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586982399 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586982408 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000586982411 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586982426 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982434 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586982436 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586982444 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586982453 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586982457 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586982466 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586982468 JK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586982469 JK Annotated Reactive CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586982471 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586982472 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586982483 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586982485 JK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586982521 JK Annotated Anodyne CCCOc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982565 JK Annotated Anodyne CCCOc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982567 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982568 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982571 JK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586982598 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982611 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586982613 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586982615 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586982620 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586982634 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586982638 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586982787 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586982789 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586982798 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982809 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982814 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586982825 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)cc(C=O)c5)[nH]c4c3)o2)cc1 ZINC000586982837 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(I)c2[nH]1 ZINC000586982847 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(I)c2[nH]1 ZINC000586982849 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586982871 JK Annotated Clean CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586982885 JK Annotated Clean CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586982893 JK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586982894 JK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586982895 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586982897 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586982944 JK Annotated Bother CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586982945 JK Annotated Bother CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586982948 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586982951 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586982958 JK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586982961 JK Annotated Bother CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586982986 JK Annotated Reactive CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586982995 JK Annotated Reactive Cc1c(Br)cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1C ZINC000586983056 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1C ZINC000586983057 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586983123 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586983128 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586983132 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586983133 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586983134 JK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586983137 JK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586983148 JK Annotated Bother CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586983150 JK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586983157 JK Annotated Clean CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586983158 JK Annotated Clean CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586983168 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586983169 JK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586983182 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(I)cnc2[nH]1 ZINC000586983185 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(I)cnc2[nH]1 ZINC000586983187 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586983224 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586983228 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586983233 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586983237 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586983256 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586983257 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586983267 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586983268 JK Annotated Anodyne Cc1nc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2cc1Br ZINC000586983305 JK Annotated Anodyne Cc1nc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2cc1Br ZINC000586983306 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 ZINC000586983315 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 ZINC000586983317 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586983320 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586983325 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586983339 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586983341 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1 ZINC000586983589 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1 ZINC000586983590 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586983619 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586983620 JK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586983630 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586983631 JK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586983652 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983678 JK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccc(Br)c1 ZINC000586983679 JK Annotated Anodyne CCCCOc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983680 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586983691 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586983692 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983696 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983697 JK Annotated Anodyne COc1ccc(Br)cc1-c1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586983700 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](c1ccc(Br)cc1)C3 ZINC000586983711 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983712 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](c1ccc(Br)cc1)C3 ZINC000586983713 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983714 JK Annotated Anodyne Brc1ccc([C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)N2CCCC2)cc1 ZINC000586983722 JK Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)N2CCCC2)cc1 ZINC000586983727 JK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586983736 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(Cl)c3O)nc3ccc(O)c1c23 ZINC000586983740 JK Annotated Anodyne O=C(O)CCc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586983765 JK Annotated Anodyne C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586983829 JK Annotated Anodyne C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586983830 JK Annotated Anodyne CC(C)(C)c1nc2ccc(O)c3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586983840 JK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586983841 JK Annotated Anodyne O=C(O)Cc1c(-c2ccccc2Br)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586983843 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586983868 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586983869 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-n4ccnc4)c(Br)c3)nc3ccc(O)c1c23 ZINC000586983936 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586983986 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586983990 JK Annotated Reactive O=C1c2ccccc2-c2cc(/C(Cl)=N/Nc3ccc(Br)cc3)nc3ccc(O)c1c23 ZINC000586984004 JK Annotated Mild O=C(CBr)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586984012 JK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984015 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984023 JK Annotated Anodyne Brc1ccc([C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N2CCCC2)cc1 ZINC000586984026 JK Annotated Bother Brc1ccc([C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N2CCCC2)cc1 ZINC000586984028 JK Annotated Bother CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586984032 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3cc(Br)cc(Br)c3)nc3ccc(O)c1c23 ZINC000586984046 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586984060 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586984065 JK Annotated Anodyne Fc1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984085 JK Annotated Anodyne CCCOc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1Br ZINC000586984087 JK Annotated Anodyne Fc1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984089 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cnn(-c2cccc(Br)c2)c1CC3 ZINC000586984099 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc(Br)cc2)C1)-c1ccccc1C4=O ZINC000586984111 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc(Br)cc2)C1)-c1ccccc1C4=O ZINC000586984112 JK Annotated Anodyne Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984121 JK Annotated Bother CCCc1c(-c2ccc(Br)c(C)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984122 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccccc2Br)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984125 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccc(Br)cc1 ZINC000586984137 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586984171 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586984172 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586984196 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586984199 JK Annotated Anodyne Cc1c(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1C ZINC000586984234 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1C ZINC000586984236 JK Annotated Anodyne Fc1c(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1F ZINC000586984240 JK Annotated Anodyne Fc1c(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1F ZINC000586984243 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5cccc(Br)c5)[nH]c4c3)o2)cc1 ZINC000586984265 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)Cc5cccc(Br)c5)[nH]c4c3)o2)cc1 ZINC000586984272 JK Annotated Anodyne Brc1ccc([C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)N2CCCC2)cc1 ZINC000586984287 JK Annotated Anodyne Brc1ccc([C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)N2CCCC2)cc1 ZINC000586984299 JK Annotated Anodyne Cc1cc(Br)ccc1-c1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586984300 JK Annotated Anodyne COCCc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984305 JK Annotated Anodyne O=C(O)CC1=C(c2ccc(Br)cc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586984340 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984357 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984358 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586984369 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(O)c(Br)c3)nc3ccc(O)c1c23 ZINC000586984371 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCBr)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586984389 JK Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586984404 JK Annotated Clean CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586984409 JK Annotated Anodyne Cc1c(-c2ccc(Br)cc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984422 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(Br)c3O)nc3ccc(O)c1c23 ZINC000586984423 JK Annotated Anodyne CCc1c(-c2ccc(Cl)c(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984429 JK Annotated Anodyne CC(C)(C)c1nc2ccc(O)c3c2c(c1Cc1ccccc1Br)-c1ccccc1C3=O ZINC000586984436 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586984455 JK Annotated Anodyne CCCOc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586984456 JK Annotated Anodyne CCCOc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586984461 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586984527 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586984529 JK Annotated Anodyne Fc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1Br ZINC000586984552 JK Annotated Anodyne Fc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1Br ZINC000586984553 JK Annotated Anodyne Brc1ccc([C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N2CCCC2)cc1 ZINC000586984642 JK Annotated Bother Brc1ccc([C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N2CCCC2)cc1 ZINC000586984643 JK Annotated Bother Brc1ccc([C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)N2CCCC2)cc1 ZINC000586984647 JK Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)N2CCCC2)cc1 ZINC000586984648 JK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Br)cc1 ZINC000586984649 JK Annotated Anodyne Cc1c(-c2ccc(Cl)c(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984651 JK Annotated Anodyne Cc1ccc2nc(C)c(CCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(Cl)c2c1 ZINC000586984655 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586984656 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc(Cl)c(Cl)c2)C1)-c1ccccc1C4=O ZINC000586984660 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc(Cl)c(Cl)c2)C1)-c1ccccc1C4=O ZINC000586984661 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3O)nc3ccc(O)c1c23 ZINC000586984671 JK Annotated Bother CC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586984672 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c4ccccc34)nc3ccc(O)c1c23 ZINC000586984685 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2cccc(Br)c2)C1)-c1ccccc1C4=O ZINC000586984687 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2cccc(Br)c2)C1)-c1ccccc1C4=O ZINC000586984689 JK Annotated Anodyne Cc1nn(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c(C)c1Br ZINC000586984695 JK Annotated Anodyne COc1ccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2c1Br ZINC000586984700 JK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586984704 JK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3Br)nc3ccc(O)c1c23 ZINC000586984708 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586984728 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586984730 JK Annotated Anodyne COC(=O)Cc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984732 JK Annotated Anodyne Brc1ccc([C@@H](c2nc3cccc(I)c3[nH]2)N2CCCC2)cc1 ZINC000586984742 JK Annotated Anodyne Brc1ccc([C@H](c2nc3cccc(I)c3[nH]2)N2CCCC2)cc1 ZINC000586984743 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984744 JK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Oc1c(Cl)cc(Cl)cc1Cl ZINC000586984745 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984746 JK Annotated Anodyne N=c1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c[nH]c2ccc(Br)cc12 ZINC000586984802 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586984819 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586984820 JK Annotated Anodyne O=C(O)c1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2ccc(Br)cc12 ZINC000586984839 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984847 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984874 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984882 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984890 JK Annotated Anodyne Cc1c(CC(=O)c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984897 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586984903 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586984904 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984941 JK Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586984955 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984956 JK Annotated Anodyne CCCOc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586984959 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586984962 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586984963 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984974 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984983 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984988 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984991 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985008 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985009 JK Annotated Anodyne O=C(O)CCc1c(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985011 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3nc(Br)cnc3Br)nc3ccc(O)c1c23 ZINC000586985018 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C3 ZINC000586985021 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@@H](c1ccc(Cl)c(Cl)c1)C3 ZINC000586985022 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc21 ZINC000586985029 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985032 JK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](Br)C1 ZINC000586985043 JK Annotated Reactive CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586985069 JK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586985070 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c(F)c1 ZINC000586985074 JK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586985088 JK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586985089 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985092 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985094 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)cc3)nc3ccc(O)c1c23 ZINC000586985150 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc4c(cc3Br)OCCO4)nc3ccc(O)c1c23 ZINC000586985153 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985155 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985157 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4cccc(Br)c4)cc3)nc3ccc(O)c1c23 ZINC000586985168 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c(Br)c3)nc3ccc(O)c1c23 ZINC000586985169 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985179 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985181 JK Annotated Bother CN(C)/C=C\c1nc(O)c(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985183 JK Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985186 JK Annotated Anodyne CC(C)(C)c1nc2ccc(O)c3c2c(c1Cc1cccc(Br)c1)-c1ccccc1C3=O ZINC000586985191 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985206 JK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1-c1cccc(C(F)(F)F)c1 ZINC000586985229 JK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586985242 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1N ZINC000586985263 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1N ZINC000586985269 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 ZINC000586985279 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](Br)C1 ZINC000586985283 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 ZINC000586985288 JK Annotated Reactive O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586985291 JK Annotated Bother COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000586985293 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985295 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985302 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586985305 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985309 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc3ccc(O)c1c23 ZINC000586985321 JK Annotated Anodyne C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985336 JK Annotated Anodyne C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985338 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc4ccc(Br)cc4c3Cl)nc3ccc(O)c1c23 ZINC000586985376 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1cccc(Br)c1 ZINC000586985395 JK Annotated Anodyne O=C(CCl)Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 ZINC000586985398 JK Annotated Reactive O=C1c2ccccc2-c2cc(CCc3c[nH]c4ccc(Br)cc34)nc3ccc(O)c1c23 ZINC000586985410 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc3ccc(O)c1c23 ZINC000586985417 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc3ccc(O)c1c23 ZINC000586985426 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC[C@@H]4CCCCO4)c(F)c3)nc3ccc(O)c1c23 ZINC000586985428 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC[C@H]4CCCCO4)c(F)c3)nc3ccc(O)c1c23 ZINC000586985431 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4ccc(Br)cc4c3=O)nc3ccc(O)c1c23 ZINC000586985432 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Br)ccc(Cl)c3F)nc3ccc(O)c1c23 ZINC000586985437 JK Annotated Anodyne O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985439 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985444 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985445 JK Annotated Anodyne COC(=O)c1cc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)ccc1F ZINC000586985455 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc3ccc(O)c1c23 ZINC000586985460 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586985463 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985467 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4ncc(Br)cc4c3)nc3ccc(O)c1c23 ZINC000586985480 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586985481 JK Annotated Anodyne CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985487 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn(Cc4cccc(C(F)(F)F)c4)nn3)nc3ccc(O)c1c23 ZINC000586985488 JK Annotated Anodyne COc1ccc2nc(C)c(CCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(Cl)c2c1 ZINC000586985509 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c21 ZINC000586985510 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c21 ZINC000586985513 JK Annotated Clean Clc1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985547 JK Annotated Anodyne Clc1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985548 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 ZINC000586985561 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 ZINC000586985562 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985610 JK Annotated Clean CC(=O)N[C@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985611 JK Annotated Clean Nc1c(Br)cc(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985616 JK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1cc(Br)ccc1O ZINC000586985625 JK Annotated Anodyne COC(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000586985633 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-n4cccn4)c(Br)c3)nc3ccc(O)c1c23 ZINC000586985649 JK Annotated Anodyne CCCCc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985654 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(Br)c3O)nc3ccc(O)c1c23 ZINC000586985661 JK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1Br ZINC000586985665 JK Annotated Anodyne COc1ccc(/C=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586985671 JK Annotated Anodyne Brc1ccc([C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N2CCCC2)cc1 ZINC000586985675 JK Annotated Bother Brc1ccc([C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N2CCCC2)cc1 ZINC000586985676 JK Annotated Bother CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586985696 JK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(OC(F)(F)F)cc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586985724 JK Annotated Bother O=C1c2ccccc2-c2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586985727 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586985729 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc3ccc(O)c1c23 ZINC000586985745 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985758 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](C(=O)O)(c1ccc(Cl)cc1)C3 ZINC000586985768 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985769 JK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](C(=O)O)(c1ccc(Cl)cc1)C3 ZINC000586985771 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985773 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)s3)nc3ccc(O)c1c23 ZINC000586985778 JK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985784 JK Annotated Anodyne CCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586985799 JK Annotated Anodyne CCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586985802 JK Annotated Anodyne Fc1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1Br ZINC000586985804 JK Annotated Anodyne Fc1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1Br ZINC000586985807 JK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1C[C@@](F)(Cl)C(F)(F)Br)-c1ccccc1C3=O ZINC000586985837 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985838 JK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1C[C@](F)(Cl)C(F)(F)Br)-c1ccccc1C3=O ZINC000586985839 JK Annotated Anodyne O=C(Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OCC(F)(F)F ZINC000586985841 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586985847 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586985849 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985861 JK Annotated Anodyne O=C1C=C(Br)C(=O)c2oc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc21 ZINC000586985862 JK Annotated Mild Clc1c(Br)cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985863 JK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985883 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985890 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985891 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c(F)c1 ZINC000586985892 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccccc1C(F)(F)F)CCCC3 ZINC000586985905 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccccc1C(F)(F)F)CCCC3 ZINC000586985907 JK Annotated Anodyne COC(=O)C(C)(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CCCl)-c2ccccc2C4=O)cc1 ZINC000586985910 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(Cl)cc4Cl)nn3)nc3ccc(O)c1c23 ZINC000586985923 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2oc1=O ZINC000586985939 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000586985940 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 ZINC000586985941 JK Annotated Anodyne C[C@@H](Oc1cccc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 ZINC000586985942 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2oc1=O ZINC000586985943 JK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985975 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586985978 JK Annotated Anodyne C[C@H]1CCc2ccc(Br)cc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586985979 JK Annotated Anodyne Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985994 JK Annotated Clean COCCCc1c(-c2ccc(C(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985995 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3OC(F)F)nc3ccc(O)c1c23 ZINC000586985997 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986004 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986005 JK Annotated Anodyne Clc1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986014 JK Annotated Anodyne Clc1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986015 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986028 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986029 JK Annotated Bother Fc1c(Br)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986052 JK Annotated Anodyne Fc1c(Br)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986053 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586986062 JK Annotated Bother CC(=O)N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586986063 JK Annotated Bother Clc1ncc(Br)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986082 JK Annotated Anodyne Clc1ncc(Br)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986083 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586986084 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586986085 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986098 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986099 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986100 JK Annotated Reactive CC(=O)N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986101 JK Annotated Reactive Cc1nc2c(C)cccc2c(Cl)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986141 JK Annotated Anodyne CCOC(=O)c1cnc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1Cl ZINC000586986147 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1Cl ZINC000586986155 JK Annotated Anodyne O=C1c2ccccc2-c2c(CC3OCCCO3)c(-c3ccccc3Cl)nc3ccc(O)c1c23 ZINC000586986157 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4N/C3=C/Cl)nc3ccc(O)c1c23 ZINC000586986168 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4N/C3=C\Cl)nc3ccc(O)c1c23 ZINC000586986169 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)c(Cl)cc4c3OCCO4)nc3ccc(O)c1c23 ZINC000586986172 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)c(Cl)c([N+](=O)[O-])c4c3OCCO4)nc3ccc(O)c1c23 ZINC000586986181 JK Annotated Bother COc1cc(Cl)ccc1-c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986191 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](C(=O)O)(c1cccc(Cl)c1)C3 ZINC000586986196 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](C(=O)O)(c1cccc(Cl)c1)C3 ZINC000586986197 JK Annotated Anodyne Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(=O)C(Cl)(Cl)Cl ZINC000586986215 JK Annotated Anodyne COc1ccc2c(c1Br)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O ZINC000586986220 JK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1c[nH]c2ccc(Br)cc12)-c1ccccc1C3=O ZINC000586986234 JK Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986252 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(Cl)cc1Cl ZINC000586986256 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4ccc(Br)cc4oc3=O)nc3ccc(O)c1c23 ZINC000586986258 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(Cl)cc3F)nc3ccc(O)c1c23 ZINC000586986269 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)nc3ccc(O)c1c23 ZINC000586986272 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986285 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc(Br)ccc4oc3=O)nc3ccc(O)c1c23 ZINC000586986289 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(Nc4cccc(C(F)(F)F)c4)s3)nc3ccc(O)c1c23 ZINC000586986294 JK Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2cc(Br)ccc21 ZINC000586986296 JK Annotated Anodyne COc1cc(Br)cc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)oc12 ZINC000586986340 JK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586986342 JK Annotated Bother CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986343 JK Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(I)cc3[nH]2)N2CCCC2)cc1 ZINC000586986348 JK Annotated Anodyne Brc1ccc([C@H](c2nc3ccc(I)cc3[nH]2)N2CCCC2)cc1 ZINC000586986350 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc21 ZINC000586986354 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1 ZINC000586986358 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1 ZINC000586986360 JK Annotated Clean O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)c1cccc(C(F)(F)F)c1)CCC3 ZINC000586986386 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)c1cccc(C(F)(F)F)c1)CCC3 ZINC000586986392 JK Annotated Anodyne Cc1ccc2nc(C)c(Cc3c(C)nc4ccc(O)c5c4c3-c3ccccc3C5=O)c(Cl)c2c1 ZINC000586986397 JK Annotated Anodyne Fc1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986404 JK Annotated Anodyne Fc1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986406 JK Annotated Anodyne CCN1CCN(c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2F)CC1 ZINC000586986429 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(C(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586986438 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c3)nc3ccc(O)c1c23 ZINC000586986473 JK Annotated Bother CC(=O)N[C@@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586986484 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586986486 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586986508 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586986547 JK Annotated Bother O=C1c2ccccc2-c2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)nc3ccc(O)c1c23 ZINC000586986551 JK Annotated Anodyne CC(C)(C)c1nc2ccc(O)c3c2c(c1Cc1ccc(Br)cc1F)-c1ccccc1C3=O ZINC000586986562 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)ccc(Br)c3F)nc3ccc(O)c1c23 ZINC000586986566 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc(C(F)(F)F)cc2)C1)-c1ccccc1C4=O ZINC000586986583 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc(C(F)(F)F)cc2)C1)-c1ccccc1C4=O ZINC000586986585 JK Annotated Anodyne Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000586986586 JK Annotated Clean O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 ZINC000586986588 JK Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 ZINC000586986591 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(OC(F)F)cc3OC(F)F)nc3ccc(O)c1c23 ZINC000586986600 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986624 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986625 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586986636 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586986637 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586986645 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586986646 JK Annotated Anodyne CC(=O)N1CCN(c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2Cl)CC1 ZINC000586986685 JK Annotated Anodyne COc1cccc(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2Cl)c1 ZINC000586986698 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H]3CCCC[C@H]3C(=O)O)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586986711 JK Annotated Anodyne O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986714 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586986715 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586986718 JK Annotated Anodyne O=C1c2ccccc2-c2c(CC3OCCCO3)c(-c3cccc(Cl)c3)nc3ccc(O)c1c23 ZINC000586986734 JK Annotated Anodyne CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986748 JK Annotated Anodyne CC(C)(CCl)C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586986749 JK Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Br)cc(Br)cc1C3 ZINC000586986758 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)nc3ccc(O)c1c23 ZINC000586986786 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)nc3ccc(O)c1c23 ZINC000586986787 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000586986788 JK Annotated Anodyne Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986789 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccccc3)c(Cc3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586986794 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)nc3ccc(O)c1c23 ZINC000586986802 JK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1C3=O ZINC000586986819 JK Annotated Mild O=C1c2ccccc2-c2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)nc3ccc(O)c1c23 ZINC000586986843 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)CC(F)(F)F)cc3)nc3ccc(O)c1c23 ZINC000586986853 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3C(F)(F)F)nc3ccc(O)c1c23 ZINC000586986859 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3O)nc3ccc(O)c1c23 ZINC000586986872 JK Annotated Bother O=C(O)c1ccc(F)c(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000586986874 JK Annotated Anodyne O=C(Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1)OCC(F)(F)F ZINC000586986887 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986896 JK Annotated Clean CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986898 JK Annotated Bother CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986900 JK Annotated Bother Cc1ccc(-n2c(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c3cc(O)ccc32)cc1 ZINC000586986910 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c(C(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586986925 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3c(F)cccc3F)nc3ccc(O)c1c23 ZINC000586986927 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3c(F)cccc3F)nc3ccc(O)c1c23 ZINC000586986930 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cnc(Nc4ccccc4C(F)(F)F)s3)nc3ccc(O)c1c23 ZINC000586986931 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(F)ccc(Br)c3Cl)nc3ccc(O)c1c23 ZINC000586986948 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000586986950 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccccc2C(F)(F)F)C1)-c1ccccc1C4=O ZINC000586986954 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccccc2C(F)(F)F)C1)-c1ccccc1C4=O ZINC000586986956 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccnc4cc(Br)ccc34)nc3ccc(O)c1c23 ZINC000586986974 JK Annotated Anodyne COc1cc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)cc1Cl ZINC000586986975 JK Annotated Anodyne COc1ccc2nc(C)c(Cc3c(C)nc4ccc(O)c5c4c3-c3ccccc3C5=O)c(Cl)c2c1 ZINC000586986983 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586986993 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586986995 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc([N+](=O)[O-])c(Br)cc1C3 ZINC000586987010 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)nc3ccc(O)c1c23 ZINC000586987011 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc3ccc(O)c1c23 ZINC000586987012 JK Annotated Bother CC(C)(CCl)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586987016 JK Annotated Reactive Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccc(Cl)cc1 ZINC000586987020 JK Annotated Anodyne COc1cc(Br)c2oc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1 ZINC000586987031 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]c2ccc(Br)cc2c1CC3 ZINC000586987045 JK Annotated Anodyne COC(=O)/C(=C\c1cccc(Cl)c1Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987053 JK Annotated Anodyne COC(=O)/C(=C/c1cccc(Cl)c1Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987056 JK Annotated Anodyne O=C(O)CCc1nc2ccc(O)c3c2c(c1CC(=O)c1ccc(Cl)cc1)-c1ccccc1C3=O ZINC000586987062 JK Annotated Anodyne Nc1nc2cc(Br)cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2o1 ZINC000586987070 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987072 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987073 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987090 JK Annotated Clean C[C@@H](Cl)C(=O)Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 ZINC000586987092 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 ZINC000586987093 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc(Cl)c(Cl)c(C(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586987100 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987107 JK Annotated Anodyne COc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000586987109 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3cccc(Cl)c3F)nc3ccc(O)c1c23 ZINC000586987113 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(Cl)nc4)c4ccccc34)nc3ccc(O)c1c23 ZINC000586987114 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](Br)Cc3cccc(Cl)c3F)nc3ccc(O)c1c23 ZINC000586987115 JK Annotated Reactive CCCc1c(-c2cc(Br)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987130 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4cc(F)ccc4F)cc3)nc3ccc(O)c1c23 ZINC000586987140 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000586987141 JK Annotated Bother O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc3ccc(O)c1c23 ZINC000586987163 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)c(F)c3F)nc3ccc(O)c1c23 ZINC000586987172 JK Annotated Reactive O=C1c2ccccc2-c2cc(CC[C@@](F)(Cl)C(F)(F)Br)nc3ccc(O)c1c23 ZINC000586987196 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CC[C@](F)(Cl)C(F)(F)Br)nc3ccc(O)c1c23 ZINC000586987199 JK Annotated Anodyne CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)C(=O)C1 ZINC000586987215 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)cc1F ZINC000586987223 JK Annotated Anodyne O=C(O)c1ccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c(F)c1 ZINC000586987228 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2cccc(C(F)(F)F)c2)C1)-c1ccccc1C4=O ZINC000586987230 JK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2cccc(C(F)(F)F)c2)C1)-c1ccccc1C4=O ZINC000586987231 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(I)c1C3 ZINC000586987235 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(I)s3)nc3ccc(O)c1c23 ZINC000586987244 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c(F)c1 ZINC000586987245 JK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987259 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C(F)(F)Br)nc3ccc(O)c1c23 ZINC000586987275 JK Annotated Anodyne O=C(Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)Oc1ccccc1 ZINC000586987279 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)nc3ccc(O)c1c23 ZINC000586987280 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(I)cc1C3 ZINC000586987310 JK Annotated Anodyne Cc1c(-c2ccc(Br)cc2C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987312 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2ccc(F)cc2)nc1CC3 ZINC000586987345 JK Annotated Anodyne O=C(NC[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000586987347 JK Annotated Anodyne O=C(NC[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000586987350 JK Annotated Anodyne Cc1nc(Cl)c(I)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987359 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCC3OCCO3)c(Cc3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586987386 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1(C3)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000586987413 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586987450 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc3ccc(O)c1c23 ZINC000586987458 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987473 JK Annotated Anodyne O=C(O)c1cc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1F ZINC000586987482 JK Annotated Anodyne CCCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987497 JK Annotated Anodyne N=C1c2ccccc2CN1c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586987506 JK Annotated Anodyne Cc1cccc(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2F)c1 ZINC000586987532 JK Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(O)c5c4c3-c3ccccc3C5=O)c(=O)c2c1 ZINC000586987547 JK Annotated Anodyne Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987572 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586987581 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 ZINC000586987637 JK Annotated Bother CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987696 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCCCCC4)c3)nc3ccc(O)c1c23 ZINC000586987727 JK Annotated Clean O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]31 ZINC000586987728 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2cc(O)ccc2n1-c1ccccc1 ZINC000586987729 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]31 ZINC000586987730 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]31 ZINC000586987731 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987732 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]31 ZINC000586987733 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1cccc2ncccc12 ZINC000586987740 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586987821 JK Annotated Anodyne COC(=O)c1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cn1C(=O)OC(C)(C)C ZINC000586987852 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)O)c3)nc3ccc(O)c1c23 ZINC000586987867 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)O)c3)nc3ccc(O)c1c23 ZINC000586987868 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O)c3)nc3ccc(O)c1c23 ZINC000586987869 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)O)c3)nc3ccc(O)c1c23 ZINC000586987870 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)CC1 ZINC000586987941 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586987964 JK Annotated Anodyne Cc1ccc2nc(O)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(-c3ccccc3)c2c1 ZINC000586987969 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(OCc4cn5ccccc5n4)c3)nc3ccc(O)c1c23 ZINC000586987977 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(=O)c2c1 ZINC000586987989 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]12CCc1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586987991 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]12CCc1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586987992 JK Annotated Anodyne Cc1ccc2oc3nc(C)c(-c4cc5c6c(c(O)ccc6n4)C(=O)c4ccccc4-5)cc3c(=O)c2c1 ZINC000586988019 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 ZINC000586988091 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)nc3ccc(O)c1c23 ZINC000586988122 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)nc3ccc(O)c1c23 ZINC000586988125 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)nc3ccc(O)c1c23 ZINC000586988126 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4Cl)cc3)nc3ccc(O)c1c23 ZINC000586988171 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4cccc(I)c34)nc3ccc(O)c1c23 ZINC000586988176 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988179 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988180 JK Annotated Anodyne COCCOCCCc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F ZINC000586988184 JK Annotated Anodyne CC(C)(C)OC(=O)N(CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Cc1ccccc1 ZINC000586988196 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586988204 JK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586988207 JK Annotated Clean CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CN1CCCCC1 ZINC000586988225 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F ZINC000586988237 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2ccccc2F)nc1CC3 ZINC000586988244 JK Annotated Anodyne CC1(C)COC(CCc2c(-c3ccccc3F)nc3ccc(O)c4c3c2-c2ccccc2C4=O)OC1 ZINC000586988316 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(F)ccc3I)nc3ccc(O)c1c23 ZINC000586988319 JK Annotated Anodyne CC1CCN(CCc2c(-c3ccc(F)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1 ZINC000586988324 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2CC1 ZINC000586988337 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]31 ZINC000586988347 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(C#Cc2ccccc2)nc1CC3 ZINC000586988388 JK Annotated Mild CC(C)(C)OC(=O)N1CC[C@@]2(CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C2)C1 ZINC000586988400 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C2)C1 ZINC000586988402 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988403 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988405 JK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CN1CCCCC1 ZINC000586988436 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(Cl)cc3F)nc3ccc(O)c1c23 ZINC000586988535 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(Cl)cc3F)nc3ccc(O)c1c23 ZINC000586988536 JK Annotated Reactive Cc1cc(C)c(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(F)c2)c(C)c1 ZINC000586988553 JK Annotated Anodyne CCN(CC)C(=O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988585 JK Annotated Anodyne CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000586988589 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(I)ccc1OCC3 ZINC000586988590 JK Annotated Anodyne O=C(O)c1cc(F)cc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586988592 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)nc3ccc(O)c1c23 ZINC000586988600 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(I)ccc3F)nc3ccc(O)c1c23 ZINC000586988607 JK Annotated Anodyne O=C(Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Oc1ccccc1 ZINC000586988608 JK Annotated Anodyne CCOc1ccc(C=Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586988613 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c4nc(O)ccc34)nc3ccc(O)c1c23 ZINC000586988662 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)CC1 ZINC000586988682 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988685 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@H]1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988686 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCC(C(=O)O)CC4)cc3)nc3ccc(O)c1c23 ZINC000586988699 JK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988707 JK Annotated Bother CCOC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586988719 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586988720 JK Annotated Anodyne O=C(O)c1cc(F)cc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586988721 JK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000586988724 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988736 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988742 JK Annotated Anodyne Nc1ccc(I)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988743 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4F)cc3)nc3ccc(O)c1c23 ZINC000586988744 JK Annotated Anodyne Cc1cc(I)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1N ZINC000586988752 JK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586988759 JK Annotated Mild O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)cc3F)nc3ccc(O)c1c23 ZINC000586988760 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)cc3F)nc3ccc(O)c1c23 ZINC000586988761 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4)cc3Cl)nc3ccc(O)c1c23 ZINC000586988783 JK Annotated Anodyne COc1ccc(C=Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586988786 JK Annotated Mild Cc1nc(Nc2ccc(F)cc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988803 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](N(Cc1ccccc1)Cc1ccccc1)C3 ZINC000586988809 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C3 ZINC000586988810 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccccc4c3-c3ccccc3)nc3ccc(O)c1c23 ZINC000586988822 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988833 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988834 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988835 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988836 JK Annotated Anodyne CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CN1CCOCC1 ZINC000586988900 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586988927 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988933 JK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3ccccc3Oc3ccc(Cl)c(F)c3)nc3ccc(O)c1c23 ZINC000586988943 JK Annotated Anodyne COc1cc2c(cc1I)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988946 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(I)ccc3O)nc3ccc(O)c1c23 ZINC000586988967 JK Annotated Anodyne COc1ccc(I)c2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586988970 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 ZINC000586988983 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(O)c(I)c3)nc3ccc(O)c1c23 ZINC000586989001 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)cc4F)s3)nc3ccc(O)c1c23 ZINC000586989010 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F ZINC000586989127 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(I)ccc1C3 ZINC000586989141 JK Annotated Anodyne CCN(CC)c1ccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(=O)oc2c1 ZINC000586989142 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CCc3ccc(I)cc3)nc3ccc(O)c1c23 ZINC000586989151 JK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1ccc(I)cc1)-c1ccccc1C3=O ZINC000586989154 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)nc3ccc(O)c1c23 ZINC000586989185 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586989209 JK Annotated Anodyne CCCC[C@@H](CC)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586989210 JK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c12 ZINC000586989232 JK Annotated Mild CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000586989252 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989311 JK Annotated Clean COC(=O)[C@@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000586989338 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000586989339 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@@H](C(=O)O)N4)nc3ccc(O)c1c23 ZINC000586989342 JK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](C(=O)O)N4)nc3ccc(O)c1c23 ZINC000586989343 JK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@H](C(=O)O)N4)nc3ccc(O)c1c23 ZINC000586989344 JK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@@H](C(=O)O)N4)nc3ccc(O)c1c23 ZINC000586989345 JK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@H]3C=CC[C@H]3[C@@H](C(=O)O)N4)nc3ccc(O)c1c23 ZINC000586989346 JK Annotated Clean O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]c2ccc(C4CCCCC4)cc2c1CC3 ZINC000586989417 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586989418 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586989423 JK Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O)C(=O)O ZINC000586989453 JK Annotated Anodyne O=C(OCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccc(O)cc1 ZINC000586989468 JK Annotated Anodyne Cc1c(-c2ccc(OCCCCC(=O)O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989499 JK Annotated Anodyne CCCOc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OCCC ZINC000586989629 JK Annotated Anodyne CCCCCCc1c(-c2ccc(CCOC(C)=O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989799 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989803 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989804 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c12 ZINC000586989939 JK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)C[C@]12O ZINC000586989946 JK Annotated Anodyne COc1ccc(Cc2c(C3(O)CCCCC3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586989950 JK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5CC4=C3C=C[C@@]21C)-c1ccccc1C7=O ZINC000586989955 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586989986 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586989990 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)-c2ccccc2C3)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990003 JK Annotated Anodyne CCOC(=O)c1oc2ccc(Cc3c(C)nc4ccc(O)c5c4c3-c3ccccc3C5=O)cc2c1C ZINC000586990094 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990098 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(O)c4c3c(c2C2C(=O)CC(C)(C)CC2=O)-c2ccccc2C4=O)cc1 ZINC000586990112 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O[C@@H](C(=O)O)c4ccccc4)cc3)nc3ccc(O)c1c23 ZINC000586990150 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O[C@H](C(=O)O)c4ccccc4)cc3)nc3ccc(O)c1c23 ZINC000586990156 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586990188 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)nc3ccc(O)c1c23 ZINC000586990198 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990227 JK Annotated Anodyne COc1ccccc1-c1nc2ccc(O)c3c2c(c1[C@@H]1CCCC[C@H]1C(=O)O)-c1ccccc1C3=O ZINC000586990243 JK Annotated Anodyne O=C(Oc1cccc2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000586990292 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586990294 JK Annotated Anodyne CCOc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OCC ZINC000586990366 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C[C@@H](O)CCc3ccccc3)nc3ccc(O)c1c23 ZINC000586990406 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C1CC[C@@H]2C(=C1C3)CC[C@H]1[C@@H](O)CC[C@@H]21 ZINC000586990418 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C1CC[C@@H]2C(=C1C3)CC[C@@H]1[C@@H](O)CC[C@@H]21 ZINC000586990419 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990427 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990429 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCc4cc5c6c(c(O)ccc6n4)C(=O)c4ccccc4-5)[C@@H]3C[C@H]12 ZINC000586990435 JK Annotated Mild CCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586990566 JK Annotated Anodyne CCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586990568 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586990578 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586990585 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](Cc4c(C)nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@@H]3C[C@H]12 ZINC000586990617 JK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000586990625 JK Annotated Anodyne CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4ccc(O)c5c4c(c3[C@H]12)-c1ccccc1C5=O ZINC000586990641 JK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4ccc(O)c5c4c(c3[C@@H]12)-c1ccccc1C5=O ZINC000586990643 JK Annotated Clean CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990644 JK Annotated Mild O=C(O)Cc1ccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)cc1 ZINC000586990677 JK Annotated Anodyne CCCC[C@@H](CC)CCc1nc2ccc(O)c3c2c(c1C[C@H](CC)CCCC)-c1ccccc1C3=O ZINC000586990760 JK Annotated Anodyne CCCC[C@H](CC)CCc1nc2ccc(O)c3c2c(c1C[C@@H](CC)CCCC)-c1ccccc1C3=O ZINC000586990762 JK Annotated Anodyne CCCC[C@H](CC)Cc1c(CC[C@H](CC)CCCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990763 JK Annotated Anodyne CCCC[C@H](CC)CCc1nc2ccc(O)c3c2c(c1C[C@H](CC)CCCC)-c1ccccc1C3=O ZINC000586990765 JK Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CCCCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586990802 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990835 JK Annotated Mild COc1ccc(-c2nc3ccc(O)c4c3c(c2C2C(=O)CC(C)(C)CC2=O)-c2ccccc2C4=O)cc1 ZINC000586990842 JK Annotated Anodyne CCCCc1c(C2=Cc3cc(OC)ccc3OC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990957 JK Annotated Anodyne CC(C)(C)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(C(C)(C)C)c1O ZINC000586991031 JK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@]3(C)c4nc5ccc(O)c6c5c(c4C[C@@H]23)-c2ccccc2C6=O)[C@@]2(C)C=CC(=O)C=C12 ZINC000586991040 JK Annotated Mild O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)c(-c3c(O)cc(O)cc3O)nc3ccc(O)c1c23 ZINC000586991071 JK Annotated Anodyne Cc1c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc2c3c(c(=O)oc12)CCCC3 ZINC000586991090 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2ccc4cccc5ccc(c1CC3)c2c45 ZINC000586991207 JK Annotated Bother COc1ccccc1-c1nc2ccc(O)c3c2c(c1[C@@H]1CCC[C@H]1C(=O)O)-c1ccccc1C3=O ZINC000586991223 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000586991227 JK Annotated Mild CCCCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586991253 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586991258 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3c4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)CC[C@]3(C)[C@H]1CC2 ZINC000586991270 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991281 JK Annotated Anodyne CCCCC[C@H](O)Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000586991349 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=CC(c1ccccc1)(c1ccccc1)C3 ZINC000586991353 JK Annotated Anodyne COc1cc(O)c(-c2nc3ccc(O)c4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(OC)c1 ZINC000586991374 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 ZINC000586991381 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c12 ZINC000586991387 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c12 ZINC000586991390 JK Annotated Anodyne O=C(O)Cc1cccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586991429 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991436 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991443 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991444 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991446 JK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCc1ccccc1 ZINC000586991483 JK Annotated Anodyne Cc1c(OCc2ccccc2)ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O ZINC000586991491 JK Annotated Anodyne COc1cc(O)c(-c2nc3ccc(O)c4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(O)c1 ZINC000586991506 JK Annotated Anodyne C[C@]12CC[C@@H]3c4ccc(O)cc4-c4nc5ccc(O)c6c5c(c4[C@H]3[C@@H]1CC[C@@H]2O)-c1ccccc1C6=O ZINC000586991521 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991545 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991549 JK Annotated Mild CCCCCCCCCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991588 JK Annotated Mild C[C@]12CCC3=C4Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000586991685 JK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(Cl)c(Cl)c4)nc13)-c1ccccc1C2=O ZINC000586991704 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5cc(Cl)cc(Cl)c5oc4=O)nc13)-c1ccccc1C2=O ZINC000586991767 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000586991789 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-c5ccc(C(F)(F)F)cc5)c4)nc13)-c1ccccc1C2=O ZINC000586991858 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2c(cc1CC3)CCc1ccccc1-2 ZINC000586991873 JK Annotated Anodyne Cc1ccc2c3c(c([C@H]4CCCC[C@H]4C(=O)O)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586991874 JK Annotated Anodyne Cc1cc(O[C@@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2c(C)c(C)c(=O)oc2c1 ZINC000586991890 JK Annotated Anodyne Cc1cc(O[C@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2c(C)c(C)c(=O)oc2c1 ZINC000586991897 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586991903 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586991908 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc1-2 ZINC000586991933 JK Annotated Anodyne Cc1cc(OCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2c3c(c(=O)oc2c1)CCCC3 ZINC000586991956 JK Annotated Anodyne O=C(CCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000586991967 JK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(C)(C)C[C@@H](C)C2(C)C ZINC000586991981 JK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(C)(C)C[C@H](C)C2(C)C ZINC000586991986 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](c1ccccc1C(F)(F)F)CCCC4)-c1ccccc1C2=O ZINC000586992000 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992005 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccccc1C(F)(F)F)CCCC4)-c1ccccc1C2=O ZINC000586992008 JK Annotated Anodyne CC(=O)CCCCCCCCCCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992057 JK Annotated Anodyne COC(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCc1ccccc1 ZINC000586992077 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000586992094 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)nc13)-c1ccccc1C2=O ZINC000586992100 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586992105 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nc13)-c1ccccc1C2=O ZINC000586992111 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccc(Cl)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586992113 JK Annotated Bother Cc1ccc2c3c(cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586992120 JK Annotated Mild O=C1c2ccccc2-c2c(C3CCCC3)c(-c3ccc(Oc4ccccc4)cc3)nc3ccc(O)c1c23 ZINC000586992126 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992128 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992131 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3Cc4nc5ccc(O)c6c5c(c4C[C@]3(C)[C@H]1CC2)-c1ccccc1C6=O ZINC000586992178 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3OC[C@@H]3CO3)nc3ccc(O)c1c23 ZINC000586992239 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3OC[C@H]3CO3)nc3ccc(O)c1c23 ZINC000586992242 JK Annotated Anodyne C[C@]12C=CC3=C4Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000586992284 JK Annotated Anodyne O=C(CCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000586992288 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)c(/C=C/CCc3ccc(O)cc3)nc3ccc(O)c1c23 ZINC000586992322 JK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C)CC(=O)O)c(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586992323 JK Annotated Anodyne Cc1ccc2c3c(c([C@H](C)CC(=O)O)c(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586992325 JK Annotated Anodyne O=C(O)c1ccc(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)o1 ZINC000586992337 JK Annotated Anodyne COC(=O)Cc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992341 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1C ZINC000586992344 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5ncc(Br)cc5c4)nc13)-c1ccccc1C2=O ZINC000586992347 JK Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc12 ZINC000586992352 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)o1 ZINC000586992357 JK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Br)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992363 JK Annotated Anodyne Cc1cc(OCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2c3c(c(=O)oc2c1)CCC3 ZINC000586992381 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccccc4Br)nc13)-c1ccccc1C2=O ZINC000586992399 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(CCC(=O)c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586992406 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c12 ZINC000586992408 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c12 ZINC000586992412 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4nnn(Cc5ccc(Cl)cc5)c4C)nc13)-c1ccccc1C2=O ZINC000586992418 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992429 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(c3cc(Br)ccc3n1C)CC4)-c1ccccc1C2=O ZINC000586992435 JK Annotated Clean Cc1ccc2c3c(cc(-c4ccccc4NC(=O)OCC(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586992446 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)c1cccc(C(F)(F)F)c1)CCC4)-c1ccccc1C2=O ZINC000586992465 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)c1cccc(C(F)(F)F)c1)CCC4)-c1ccccc1C2=O ZINC000586992468 JK Annotated Anodyne CC(=O)CCCCCCCCCCCc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992470 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4nnn(Cc5ccc(Br)cc5)c4C)nc13)-c1ccccc1C2=O ZINC000586992485 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)nc13)-c1ccccc1C2=O ZINC000586992487 JK Annotated Anodyne Cc1ccc2nc(C)c(CCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(Cl)c2c1 ZINC000586992491 JK Annotated Anodyne COc1cc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)cc1Cl ZINC000586992501 JK Annotated Anodyne Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992512 JK Annotated Bother Cc1ccc2c3c(c4c(nc13)[C@H](Br)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586992524 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)[C@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586992525 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)[C@@H](Br)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586992526 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)[C@@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586992528 JK Annotated Reactive COc1cc(Cl)ccc1-c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586992536 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(CC(=O)O)=C(c1ccc(Br)cc1)C4)-c1ccccc1C2=O ZINC000586992542 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@](C(=O)O)(c1ccc(Cl)cc1)C4)-c1ccccc1C2=O ZINC000586992555 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](C(=O)O)(c1ccc(Cl)cc1)C4)-c1ccccc1C2=O ZINC000586992558 JK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1-c1cccc(C(F)(F)F)c1 ZINC000586992559 JK Annotated Anodyne COc1cc(Br)cc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)oc12 ZINC000586992563 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992567 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c(o4)C(=O)C(Br)=CC5=O)nc13)-c1ccccc1C2=O ZINC000586992568 JK Annotated Mild Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@H](Br)C(C)C)c4)nc13)-c1ccccc1C2=O ZINC000586992571 JK Annotated Reactive Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@@H](Br)C(C)C)c4)nc13)-c1ccccc1C2=O ZINC000586992574 JK Annotated Reactive Cc1ccc2c3c(c(Cc4cccc(Br)c4)c(C(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586992581 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc(Nc5ccccc5C(F)(F)F)s4)nc13)-c1ccccc1C2=O ZINC000586992600 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586992610 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccc(Cl)c(Cl)c5)cc4)nc13)-c1ccccc1C2=O ZINC000586992613 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)c4cc(Cl)ccc4n5C)nc13)-c1ccccc1C2=O ZINC000586992627 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(OC)c1)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O ZINC000586992640 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(OC)c1)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O ZINC000586992643 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586992644 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Cl)c(Cl)c(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586992660 JK Annotated Anodyne Cc1ccc2c3c(cc(CC[C@@](F)(Cl)C(F)(F)Br)nc13)-c1ccccc1C2=O ZINC000586992666 JK Annotated Anodyne Cc1ccc2c3c(cc(CC[C@](F)(Cl)C(F)(F)Br)nc13)-c1ccccc1C2=O ZINC000586992670 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586992684 JK Annotated Anodyne O=C(CCc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OCc1ccccc1 ZINC000586992709 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccccc1OCc1ccccc1)C3 ZINC000586992730 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccccc1OCc1ccccc1)C3 ZINC000586992733 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586992780 JK Annotated Anodyne CCC(C)(C)c1cc(C(C)=O)c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586992799 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586992885 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5cc(Br)ccc5oc4=O)nc13)-c1ccccc1C2=O ZINC000586992898 JK Annotated Anodyne CCc1c(-c2ccc3c(c2)nc(S)n3CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992902 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586992904 JK Annotated Anodyne CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992906 JK Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Cl)c1Cl ZINC000586992916 JK Annotated Anodyne Cc1ccc2c3c(cc(COc4ccc5cc(Br)ccc5c4)nc13)-c1ccccc1C2=O ZINC000586992927 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C(=O)C(Cl)(Cl)Cl)n(C)c4)nc13)-c1ccccc1C2=O ZINC000586992929 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc5ccc(Br)cc5c4C(=O)O)nc13)-c1ccccc1C2=O ZINC000586992935 JK Annotated Anodyne CCCc1sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586992942 JK Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)sc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992944 JK Annotated Anodyne CCc1c(-c2ccc(Cl)c(Br)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992945 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-n5ccnc5)c(Br)c4)nc13)-c1ccccc1C2=O ZINC000586992947 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c5ccc(Br)cc5c4=N)nc13)-c1ccccc1C2=O ZINC000586992951 JK Annotated Anodyne COc1ccc(Cc2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)cc1OC ZINC000586992965 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3NS(=O)(=O)c3cccs3)nc3ccc(O)c1c23 ZINC000586992969 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(Br)cc3c1CC4)-c1ccccc1C2=O ZINC000586992970 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c(cc4Br)OCCO5)nc13)-c1ccccc1C2=O ZINC000586992977 JK Annotated Anodyne Cc1c(OCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCCC3 ZINC000586992980 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2ccc(Cl)cc2)nc1CC3 ZINC000586992982 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992988 JK Annotated Anodyne Cc1c(-c2ccc(Cl)c(S(=O)(=O)Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992990 JK Annotated Unstable Cc1ccc2c3c(cc(-c4ccc(OCc5ccc(Cl)cc5Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586992995 JK Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992999 JK Annotated Anodyne CC(C)c1nc2ccc(O)c3c2c(c1Cc1ccc(Br)s1)-c1ccccc1C3=O ZINC000586993007 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2oc1=O ZINC000586993011 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4Br)c(C(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586993013 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993028 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2oc1=O ZINC000586993030 JK Annotated Anodyne COc1ccc2nc(C)c(Cc3c(C)nc4c(C)ccc5c4c3-c3ccccc3C5=O)c(Cl)c2c1 ZINC000586993036 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1cccc(C(F)(F)F)c1)-c1ccccc1C2=O ZINC000586993047 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1cccc(C(F)(F)F)c1)-c1ccccc1C2=O ZINC000586993051 JK Annotated Anodyne Cc1ccc2c3c(c(CCc4ccccc4)c(Cc4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993064 JK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C(=O)O)c4ccc(Cl)cc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586993065 JK Annotated Anodyne Cc1ccc2c3c(c([C@H](C(=O)O)c4ccc(Cl)cc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586993074 JK Annotated Anodyne CC(=O)N1CCN(c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2Cl)CC1 ZINC000586993075 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@](C(=O)O)(c1ccc(Br)cc1)C4)-c1ccccc1C2=O ZINC000586993078 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](C(=O)O)(c1ccc(Br)cc1)C4)-c1ccccc1C2=O ZINC000586993080 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)-c2nc4ccc(O)c5c4c(c2CC3)-c2ccccc2C5=O)cc1 ZINC000586993081 JK Annotated Anodyne COc1cccc(COc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2Cl)c1 ZINC000586993084 JK Annotated Anodyne Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993094 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)cc1 ZINC000586993101 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(Br)cc(Br)cc1C4)-c1ccccc1C2=O ZINC000586993104 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-n5cccn5)c(Br)c4)nc13)-c1ccccc1C2=O ZINC000586993135 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(Cl)cc(C(F)(F)F)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586993143 JK Annotated Anodyne CCOC(=O)c1cnc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2c1Cl ZINC000586993148 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5cccc(Br)c5)cc4)nc13)-c1ccccc1C2=O ZINC000586993151 JK Annotated Anodyne COC(=O)c1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000586993153 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(Cl)c(Cl)c1)-c1ccccc1C2=O ZINC000586993174 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(Cl)c(Cl)c1)-c1ccccc1C2=O ZINC000586993177 JK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2c(C)ccc3c2c(c1CC(F)(F)F)-c1ccccc1C3=O ZINC000586993182 JK Annotated Anodyne Cc1c(-c2ccc(Br)cc2C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993186 JK Annotated Anodyne CCCCCCCCCCc1c(CC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993193 JK Annotated Mild Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993195 JK Annotated Anodyne Cc1ccc2c3c(c(CC4OCCCO4)c(-c4cccc(Cl)c4)nc13)-c1ccccc1C2=O ZINC000586993197 JK Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c2ccccc12 ZINC000586993198 JK Annotated Anodyne CCCCC/C=C\c1nc2ccc(O)c3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000586993206 JK Annotated Anodyne CCCCC/C=C/c1nc2ccc(O)c3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000586993207 JK Annotated Anodyne Cc1ccc2c3c(c(CCBr)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993290 JK Annotated Reactive Cc1ccc2c3c(c(Cc4ccc(Br)cc4)c(C(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586993300 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(O)c(Br)c4)nc13)-c1ccccc1C2=O ZINC000586993304 JK Annotated Anodyne Cc1c(O[C@@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCC3 ZINC000586993305 JK Annotated Anodyne Cc1cc(Br)ccc1-c1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586993306 JK Annotated Anodyne Cc1c(O[C@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCC3 ZINC000586993307 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)nc3ccc(O)c1c23 ZINC000586993322 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000586993324 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000586993325 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4cnc(Cl)s4)cc3)nc3ccc(O)c1c23 ZINC000586993354 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)c(Br)c4)nc13)-c1ccccc1C2=O ZINC000586993356 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1cccc(Br)c1)-c1ccccc1C2=O ZINC000586993366 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1cccc(Br)c1)-c1ccccc1C2=O ZINC000586993368 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1)C1CC1 ZINC000586993370 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4Br)s3)nc3ccc(O)c1c23 ZINC000586993376 JK Annotated Anodyne Cc1ccc2c3c(c(CCCl)c(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586993378 JK Annotated Reactive CCc1cc(=O)oc2cc(O[C@@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc12 ZINC000586993385 JK Annotated Anodyne Cc1ccc2c3c(cc(Cc4ccc(Br)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586993387 JK Annotated Bother CCc1cc(=O)oc2cc(O[C@H](C)c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc12 ZINC000586993388 JK Annotated Anodyne CC(=O)Nc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586993389 JK Annotated Anodyne CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993395 JK Annotated Anodyne Cc1ccc2c3c(cc(CC45C[C@H]6C[C@@H](CC(Br)(C6)C4)C5)nc13)-c1ccccc1C2=O ZINC000586993397 JK Annotated Anodyne Cc1c(CC(=O)c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993399 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1C3=O ZINC000586993400 JK Annotated Mild Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(Br)ccc4O)nc13)-c1ccccc1C2=O ZINC000586993403 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)nc5ccc(Cl)cc5c4-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586993431 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)c4ccc(Cl)cc4)c(CCC(=O)O)nc13)-c1ccccc1C2=O ZINC000586993435 JK Annotated Anodyne Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993438 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c(cc4Br)NC(=O)CO5)nc13)-c1ccccc1C2=O ZINC000586993455 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1C[C@@](F)(Cl)C(F)(F)Br)-c1ccccc1C3=O ZINC000586993491 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1C[C@](F)(Cl)C(F)(F)Br)-c1ccccc1C3=O ZINC000586993496 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)CCC(=O)O)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993497 JK Annotated Anodyne COc1ccc2nc(C)c(CCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(Cl)c2c1 ZINC000586993499 JK Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5ccccc5N/C4=C/Cl)nc13)-c1ccccc1C2=O ZINC000586993514 JK Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5ccccc5N/C4=C\Cl)nc13)-c1ccccc1C2=O ZINC000586993516 JK Annotated Anodyne COP(=O)(Cc1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O)OC ZINC000586993517 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccccc1C(F)(F)F)-c1ccccc1C2=O ZINC000586993519 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccccc1C(F)(F)F)-c1ccccc1C2=O ZINC000586993523 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cn(Cc5ccc(Cl)cc5Cl)nn4)nc13)-c1ccccc1C2=O ZINC000586993527 JK Annotated Anodyne Cc1ccc2c3c(cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993538 JK Annotated Mild C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993576 JK Annotated Bother C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993582 JK Annotated Bother Cc1ccc2c3c(c(CCCCc4nc5ccccc5[nH]4)c(C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993592 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cn(Cc5ccc(Cl)nc5)c5ccccc45)nc13)-c1ccccc1C2=O ZINC000586993661 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Br)cc4C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993666 JK Annotated Anodyne Cc1ccc2nc(C)c(Cc3c(C)nc4c(C)ccc5c4c3-c3ccccc3C5=O)c(Cl)c2c1 ZINC000586993671 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@@H](c1ccc(Cl)c(Cl)c1)C4)-c1ccccc1C2=O ZINC000586993728 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C4)-c1ccccc1C2=O ZINC000586993731 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc(Nc5cccc(C(F)(F)F)c5)s4)nc13)-c1ccccc1C2=O ZINC000586993739 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993747 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)c4cc(Br)ccc4O)nc13)-c1ccccc1C2=O ZINC000586993758 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(Br)c4)nc13)-c1ccccc1C2=O ZINC000586993765 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(Cl)c4O)nc13)-c1ccccc1C2=O ZINC000586993769 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Oc4c(Cl)cc(Cl)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586993771 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CSC4=NCCS4)c3)nc3ccc(O)c1c23 ZINC000586993778 JK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)sc2n1 ZINC000586993782 JK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(NC(=O)C(C)(C)CCl)cc4)nc13)-c1ccccc1C2=O ZINC000586993783 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1C(C)(C)C4)-c1ccccc1C2=O ZINC000586993787 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc([N+](=O)[O-])c(Br)cc1C4)-c1ccccc1C2=O ZINC000586993790 JK Annotated Bother Cc1nn(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)c(C)c1Br ZINC000586993791 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993797 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Cl)cc(Br)c4O)nc13)-c1ccccc1C2=O ZINC000586993806 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(Br)cc1)-c1ccccc1C2=O ZINC000586993811 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(Br)cc1)-c1ccccc1C2=O ZINC000586993812 JK Annotated Anodyne COc1ccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc2c1Br ZINC000586993822 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc(Br)s2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993826 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000586993834 JK Annotated Anodyne COCCc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993836 JK Annotated Anodyne O=C(Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)c1ccc(Cl)s1 ZINC000586993837 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c(cc4NC(=O)CCl)OCO5)nc13)-c1ccccc1C2=O ZINC000586993838 JK Annotated Reactive Cc1ccc2c3c(cc(/C(Cl)=N/Nc4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586993840 JK Annotated Mild COc1ccc(Br)cc1-c1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586993853 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993855 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc3ccc(O)c1c23 ZINC000586993858 JK Annotated Anodyne COC(=O)c1sc2ncc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1C ZINC000586993860 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586993874 JK Annotated Anodyne Cc1c(OCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 ZINC000586993886 JK Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(S(=O)(=O)Cl)c(Cl)cc1C3 ZINC000586993892 JK Annotated Unstable Cc1ccc2c3c(cc(-c4cn(Cc5cccc(C(F)(F)F)c5)nn4)nc13)-c1ccccc1C2=O ZINC000586993903 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(Nc4ccc(Cl)cn4)s3)nc3ccc(O)c1c23 ZINC000586993930 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3scc(Br)c3Br)nc3ccc(O)c1c23 ZINC000586993933 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000586993935 JK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000586993937 JK Annotated Anodyne O=C(O)Cc1c(-c2sc(Cl)c(Cl)c2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993955 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993962 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(Cl)cc5)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586993992 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Br)c(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586993995 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586994006 JK Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@@H](C(=O)C(F)(F)F)C1 ZINC000586994008 JK Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@H](C(=O)C(F)(F)F)C1 ZINC000586994009 JK Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@H](C(=O)C(F)(F)F)C1 ZINC000586994010 JK Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@@H](C(=O)C(F)(F)F)C1 ZINC000586994011 JK Annotated Anodyne CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994016 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)CC(F)(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586994024 JK Annotated Anodyne Cc1ccc2c3c(c([C@H](C)C(=O)O)c(-c4cccc(Br)c4)nc13)-c1ccccc1C2=O ZINC000586994037 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4-c4ccc(C(=O)O)c(Cl)c4)nc13)-c1ccccc1C2=O ZINC000586994038 JK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C)C(=O)O)c(-c4cccc(Br)c4)nc13)-c1ccccc1C2=O ZINC000586994039 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1CC4)-c1ccccc1C2=O ZINC000586994045 JK Annotated Clean COC(=O)/C(=C\c1cccc(Cl)c1Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994046 JK Annotated Anodyne COC(=O)/C(=C/c1cccc(Cl)c1Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994051 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(C(F)(F)Br)nc13)-c1ccccc1C2=O ZINC000586994059 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1Cl ZINC000586994062 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994066 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](c1ccc(Br)cc1)C4)-c1ccccc1C2=O ZINC000586994070 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](c1ccc(Br)cc1)C4)-c1ccccc1C2=O ZINC000586994071 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc5ccc(Br)cc5c4Cl)nc13)-c1ccccc1C2=O ZINC000586994073 JK Annotated Anodyne COc1ccc(/C=C/c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586994079 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4nc(Br)cnc4Br)nc13)-c1ccccc1C2=O ZINC000586994081 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Br)c5ccccc45)nc13)-c1ccccc1C2=O ZINC000586994083 JK Annotated Anodyne CCCCc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994085 JK Annotated Anodyne CC[C@H]1CN=C(Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)S1 ZINC000586994093 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)S1 ZINC000586994094 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4cccc(Br)c4)nc13)-c1ccccc1C2=O ZINC000586994098 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O ZINC000586994101 JK Annotated Bother O=C1c2ccccc2-c2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc3ccc(O)c1c23 ZINC000586994105 JK Annotated Bother COC(=O)C(C)(C)c1ccc(-c2nc3c(C)ccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 ZINC000586994116 JK Annotated Reactive Cc1nc2c(C)ccc3c2c(c1Cc1c[nH]c2ccc(Br)cc12)-c1ccccc1C3=O ZINC000586994118 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(O)nc4/C=C\N(C)C)nc13)-c1ccccc1C2=O ZINC000586994121 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(O)nc4/C=C/N(C)C)nc13)-c1ccccc1C2=O ZINC000586994122 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc5nc(N)oc45)nc13)-c1ccccc1C2=O ZINC000586994126 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccccc2Br)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994137 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994140 JK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994147 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)CBr)c4)nc13)-c1ccccc1C2=O ZINC000586994148 JK Annotated Reactive Cc1ccc(S(=O)(=O)n2cccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586994179 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994187 JK Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)CC1 ZINC000586994226 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586994228 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3nc4ccc(O)c5c4c(c3C)-c3ccccc3C5=O)c2)cc1 ZINC000586994229 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586994230 JK Annotated Anodyne COCCCc1c(-c2ccc(C(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994242 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994245 JK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994247 JK Annotated Anodyne Cc1c(OCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCC3 ZINC000586994251 JK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C(=O)O)c4cccc(Cl)c4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586994257 JK Annotated Anodyne Cc1ccc2c3c(c([C@H](C(=O)O)c4cccc(Cl)c4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586994258 JK Annotated Anodyne CCc1c(-c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994269 JK Annotated Anodyne COc1ccc2c(c1Br)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O ZINC000586994278 JK Annotated Anodyne Cc1ccc2c3c(c(CC4OCCCO4)c(-c4ccccc4Cl)nc13)-c1ccccc1C2=O ZINC000586994284 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(Br)c4N)nc13)-c1ccccc1C2=O ZINC000586994290 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(-c5ccc(Cl)cc5Cl)c4C)nc13)-c1ccccc1C2=O ZINC000586994291 JK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586994294 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(Cl)c(Cl)c([N+](=O)[O-])c5c4OCCO5)nc13)-c1ccccc1C2=O ZINC000586994297 JK Annotated Bother CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994301 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994302 JK Annotated Anodyne COc1cc(Br)c2oc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2c1 ZINC000586994309 JK Annotated Anodyne CCCc1c(-c2ccc(Br)c(C)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994311 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c5ccc(Br)cc5c4=O)nc13)-c1ccccc1C2=O ZINC000586994317 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994319 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)C(C)(C)CCl)c4)nc13)-c1ccccc1C2=O ZINC000586994320 JK Annotated Reactive Cc1ccc2c3c(cc(CCc4c[nH]c5ccc(Br)cc45)nc13)-c1ccccc1C2=O ZINC000586994322 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)OCC(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586994336 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccccc4Br)nc13)-c1ccccc1C2=O ZINC000586994343 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586994350 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994351 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(C(F)(F)F)cc1)-c1ccccc1C2=O ZINC000586994354 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(C(F)(F)F)cc1)-c1ccccc1C2=O ZINC000586994356 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1CC[C@@H]4C)-c1ccccc1C2=O ZINC000586994362 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1CC[C@H]4C)-c1ccccc1C2=O ZINC000586994365 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4nnn(-c5cccc(Br)c5)c4C)nc13)-c1ccccc1C2=O ZINC000586994372 JK Annotated Anodyne CCOC(=O)[C@@]1(CCBr)CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586994384 JK Annotated Reactive CCOC(=O)[C@]1(CCBr)CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586994387 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)CC[C@](C(=O)O)(c1cccc(Cl)c1)C4)-c1ccccc1C2=O ZINC000586994393 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](C(=O)O)(c1cccc(Cl)c1)C4)-c1ccccc1C2=O ZINC000586994394 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(Br)c4O)nc13)-c1ccccc1C2=O ZINC000586994397 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cnn(-c3cccc(Br)c3)c1CC4)-c1ccccc1C2=O ZINC000586994408 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5ccc(Br)cc5oc4=O)nc13)-c1ccccc1C2=O ZINC000586994410 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4oc5ccccc5c4NC(=O)[C@H](C)Cl)nc13)-c1ccccc1C2=O ZINC000586994411 JK Annotated Reactive Cc1ccc2c3c(cc(-c4oc5ccccc5c4NC(=O)[C@@H](C)Cl)nc13)-c1ccccc1C2=O ZINC000586994412 JK Annotated Reactive Cc1ccc2c3c(cc(-c4c[nH]c(C(=O)C(Cl)(Cl)Cl)c4)nc13)-c1ccccc1C2=O ZINC000586994414 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4oc5ccccc5c4NC(=O)CCl)nc13)-c1ccccc1C2=O ZINC000586994417 JK Annotated Reactive O=C(O)c1ccccc1C(=O)Nc1ccsc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994432 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994433 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc3ccc(O)c1c23 ZINC000586994442 JK Annotated Unstable Cc1nc(-c2ccccc2Br)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994449 JK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CSc1ncccn1 ZINC000586994453 JK Annotated Anodyne CCSc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Cl)c1Cl ZINC000586994455 JK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994459 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(S(=O)(=O)Cl)ccc3Cl)nc3ccc(O)c1c23 ZINC000586994462 JK Annotated Unstable O=C1c2ccccc2-c2cc(CCS(=O)(=O)c3ccc(Cl)c(Cl)c3)nc3ccc(O)c1c23 ZINC000586994479 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)nc3ccc(O)c1c23 ZINC000586994484 JK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000586994486 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)s3)nc3ccc(O)c1c23 ZINC000586994500 JK Annotated Reactive Cc1ccc(C)c(Nc2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000586994505 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 ZINC000586994506 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 ZINC000586994507 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(Br)s3)nc3ccc(O)c1c23 ZINC000586994512 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)sc(C)c1C ZINC000586994562 JK Annotated Anodyne Cc1c(O[C@@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 ZINC000586994569 JK Annotated Bother Cc1c(O[C@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 ZINC000586994570 JK Annotated Bother O=C(Cc1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1cccs1 ZINC000586994572 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994589 JK Annotated Anodyne Cc1c(C)c2ccc(OCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000586994602 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CSc4ncccn4)c3)nc3ccc(O)c1c23 ZINC000586994606 JK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CSc1nncn1C ZINC000586994609 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994610 JK Annotated Anodyne COc1ccc(-c2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000586994611 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)CCC(=O)O)-c2ccccc2C4=O)s1 ZINC000586994617 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cs1 ZINC000586994618 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCc3cnc(Cl)s3)nc3ccc(O)c1c23 ZINC000586994619 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4[N+](=O)[O-])s3)nc3ccc(O)c1c23 ZINC000586994623 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Br)cc4)s3)nc3ccc(O)c1c23 ZINC000586994636 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CSc3nc4cc(Cl)c5cccnc5c4o3)nc3ccc(O)c1c23 ZINC000586994637 JK Annotated Anodyne CCCc1c(-c2cc(Br)ccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994646 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586994650 JK Annotated Bother Cc1c(-c2cc(Br)ccc2OC(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994670 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(Cl)ccc(Br)c4F)nc13)-c1ccccc1C2=O ZINC000586994691 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](Br)Cc4ccc(Cl)cc4F)nc13)-c1ccccc1C2=O ZINC000586994698 JK Annotated Reactive Cc1ccc2c3c(cc([C@H](Br)Cc4ccc(Cl)cc4F)nc13)-c1ccccc1C2=O ZINC000586994699 JK Annotated Reactive Cc1ccc2c3c(cc(/C=C/c4ccccc4Oc4ccc(Cl)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586994716 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(-c5ccc(C(F)(F)F)cn5)c4C)nc13)-c1ccccc1C2=O ZINC000586994730 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(Cl)cc4F)nc13)-c1ccccc1C2=O ZINC000586994731 JK Annotated Anodyne CCCCCOc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586994742 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586994746 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(I)s4)nc13)-c1ccccc1C2=O ZINC000586994802 JK Annotated Anodyne COc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1I ZINC000586994815 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(I)ccc1C4)-c1ccccc1C2=O ZINC000586994818 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586994829 JK Annotated Clean Cc1ccc2c3c(c(Cc4ccccc4CNC(=O)OC(C)(C)C)cnc13)-c1ccccc1C2=O ZINC000586994833 JK Annotated Anodyne Brc1ccc(NCCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586994856 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-c5cc(C(=O)O)ccc5F)c4)nc13)-c1ccccc1C2=O ZINC000586994888 JK Annotated Anodyne Cc1ccc2c3c(c(CCN4CCC(C)CC4)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586994904 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)c(F)c1 ZINC000586994934 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586994951 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586994958 JK Annotated Bother CCn1cc(I)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 ZINC000586994962 JK Annotated Anodyne CC(C)COc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586994996 JK Annotated Anodyne Cc1cc(Cl)cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586995003 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995014 JK Annotated Anodyne CCc1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586995028 JK Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586995044 JK Annotated Anodyne Cc1cccc(COc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2F)c1 ZINC000586995055 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586995057 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(F)cc5)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586995063 JK Annotated Anodyne Cc1cc(C)c(COc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(F)c2)c(C)c1 ZINC000586995067 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(F)ccc(Br)c4Cl)nc13)-c1ccccc1C2=O ZINC000586995072 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)ccc4OC(F)F)nc13)-c1ccccc1C2=O ZINC000586995078 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586995083 JK Annotated Anodyne CC(C)Oc1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586995091 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586995092 JK Annotated Reactive CCN(CC)c1ccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(=O)oc2c1 ZINC000586995095 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 ZINC000586995096 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)Oc5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000586995110 JK Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 ZINC000586995125 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586995128 JK Annotated Bother Cc1ccc2c3c(cc(-c4cc(I)ccc4N)nc13)-c1ccccc1C2=O ZINC000586995131 JK Annotated Anodyne COC(=O)c1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586995146 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586995147 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-c5ccc(C(=O)O)cc5F)c4)nc13)-c1ccccc1C2=O ZINC000586995178 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586995181 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995206 JK Annotated Anodyne CC(C)COc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995227 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cncc(Cl)c2[nH]1 ZINC000586995229 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCNc5ccc(Br)cc5)[nH]c4c3)o2)cc1 ZINC000586995233 JK Annotated Anodyne COc1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Cl ZINC000586995234 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586995238 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586995264 JK Annotated Anodyne Cc1cc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000586995273 JK Annotated Bother FC(F)(F)c1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995297 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995307 JK Annotated Anodyne Cc1ccc2c3c(c(CCCC4OCCO4)c(CNC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995332 JK Annotated Anodyne CC(=O)CC(=O)N(C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)c1ccccc1C ZINC000586995341 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586995373 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586995380 JK Annotated Anodyne Cc1cc(I)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1N ZINC000586995402 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(I)ccc4O)nc13)-c1ccccc1C2=O ZINC000586995435 JK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586995448 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(Br)ccc(Cl)c4F)nc13)-c1ccccc1C2=O ZINC000586995456 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OC(F)F)cc4OC(F)F)nc13)-c1ccccc1C2=O ZINC000586995458 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](Br)Cc4ccc(F)cc4F)nc13)-c1ccccc1C2=O ZINC000586995463 JK Annotated Reactive Cc1ccc2c3c(cc([C@H](Br)Cc4ccc(F)cc4F)nc13)-c1ccccc1C2=O ZINC000586995465 JK Annotated Reactive CCCCOc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995471 JK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1S(=O)(=O)C(F)F ZINC000586995472 JK Annotated Anodyne Cc1ccc2c3c(c(CC4CCCC4)c(-c4ccc(OC(F)(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586995479 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(F)ccc4I)nc13)-c1ccccc1C2=O ZINC000586995523 JK Annotated Anodyne Cc1ccc2c3c(cc([C@H](Br)Cc4ccc(F)c(F)c4F)nc13)-c1ccccc1C2=O ZINC000586995525 JK Annotated Reactive Cc1ccc2c3c(cc([C@@H](Br)Cc4ccc(F)c(F)c4F)nc13)-c1ccccc1C2=O ZINC000586995528 JK Annotated Reactive COCCOCCCc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1F ZINC000586995530 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccc(Cl)cc5F)s4)nc13)-c1ccccc1C2=O ZINC000586995534 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 ZINC000586995542 JK Annotated Anodyne Cc1ccc2c3c(c(CCC4OCC(C)(C)CO4)c(-c4ccccc4F)nc13)-c1ccccc1C2=O ZINC000586995555 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)c(F)c1 ZINC000586995561 JK Annotated Anodyne CCCOc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995571 JK Annotated Anodyne C=CCc1cccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586995619 JK Annotated Mild Cc1ccc2c3c(cc(-c4c(F)cccc4O[C@@H](C)c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586995643 JK Annotated Anodyne CC(C)Oc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995645 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(F)cccc4O[C@H](C)c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586995646 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995649 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586995673 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-c5cc(F)cc(C(=O)O)c5)c4)nc13)-c1ccccc1C2=O ZINC000586995687 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586995692 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586995696 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586995700 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995706 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995709 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cnc3ccccc3c2[nH]1 ZINC000586995724 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995747 JK Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2cc1Br ZINC000586995785 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586995830 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cccc(I)c1C4)-c1ccccc1C2=O ZINC000586995845 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586995867 JK Annotated Anodyne CC(C)Oc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586995871 JK Annotated Anodyne COc1ccc(I)c2c1-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O ZINC000586995873 JK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586995892 JK Annotated Clean COC(=O)c1ccc(F)c(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000586995935 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586995958 JK Annotated Anodyne Cc1ccc2c3c(cc(Cc4ccc(OC(F)(F)F)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586995964 JK Annotated Bother Cc1ccc2c3c(c(CCCC4OCCO4)c(Cc4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586995985 JK Annotated Anodyne Cc1ccc2c3c(cc(Cc4nc(=NC(=O)c5ccc(F)cc5)s[nH]4)nc13)-c1ccccc1C2=O ZINC000586995988 JK Annotated Anodyne Cc1ccc2c3c(c(C4C(=O)CC(C)(C)CC4=O)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586996014 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586996018 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OC[C@@H]5CCCCO5)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586996027 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586996034 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OC[C@H]5CCCCO5)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586996035 JK Annotated Anodyne CCN(CC)C(=O)COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586996041 JK Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996095 JK Annotated Mild CCCCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996131 JK Annotated Anodyne Cc1nc(O)c(I)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996133 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996146 JK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996155 JK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586996167 JK Annotated Mild CCCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996176 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586996185 JK Annotated Anodyne COc1cc2c(cc1I)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996193 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586996204 JK Annotated Anodyne CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1I ZINC000586996207 JK Annotated Anodyne N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586996236 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586996238 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586996245 JK Annotated Anodyne COC(=O)c1cc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)ccc1F ZINC000586996250 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000586996259 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996279 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(Br)cc4F)c(C(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586996291 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(F)cc5Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586996304 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586996309 JK Annotated Anodyne N[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996320 JK Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c32)n1 ZINC000586996323 JK Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586996333 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586996345 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996348 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Cl)nc2[nH]1 ZINC000586996376 JK Annotated Anodyne CC(C)CCOc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996385 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc3ncccc3c2[nH]1 ZINC000586996405 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586996407 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586996443 JK Annotated Anodyne CSc1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586996452 JK Annotated Anodyne CCCCOc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996469 JK Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586996482 JK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586996498 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996503 JK Annotated Anodyne CCCCOc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996515 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996524 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996528 JK Annotated Anodyne CCCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996531 JK Annotated Anodyne Cc1c(Cl)ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586996547 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586996577 JK Annotated Bother CC(C)COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996584 JK Annotated Anodyne Brc1ccc(NCCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586996599 JK Annotated Anodyne CCOc1ccc(C=Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586996607 JK Annotated Mild N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996682 JK Annotated Anodyne COC(=O)c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586996730 JK Annotated Anodyne FC(F)(F)c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996739 JK Annotated Anodyne CCCOc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996742 JK Annotated Anodyne CCCCCOc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996765 JK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586996769 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(I)cc1C4)-c1ccccc1C2=O ZINC000586996777 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586996778 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cc1F ZINC000586996782 JK Annotated Anodyne CCN1CCN(c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2F)CC1 ZINC000586996806 JK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1I ZINC000586996813 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C4)-c1ccccc1C2=O ZINC000586996839 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](N(Cc1ccccc1)Cc1ccccc1)C4)-c1ccccc1C2=O ZINC000586996844 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(O)c(I)c4)nc13)-c1ccccc1C2=O ZINC000586996856 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCc5ccc(F)cc5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O ZINC000586996908 JK Annotated Bother Cc1ccc2c3c(cc(-c4ccc(OCc5c(F)cccc5Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586996919 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OS(=O)(=O)C(F)(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586996941 JK Annotated Unstable Cc1ccc2c3c(cc([C@@H](Br)Cc4cccc(Cl)c4F)nc13)-c1ccccc1C2=O ZINC000586996944 JK Annotated Reactive Cc1ccc2c3c(cc([C@H](Br)Cc4cccc(Cl)c4F)nc13)-c1ccccc1C2=O ZINC000586996945 JK Annotated Reactive Brc1ccc(-c2ccc(/C=C/c3nc4cccc(OCc5ccccc5)c4[nH]3)o2)cc1 ZINC000586996964 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cccc(OCc5ccccc5)c4[nH]3)o2)cc1 ZINC000586996966 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1 ZINC000586996981 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1 ZINC000586996988 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586996992 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586996998 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586997011 JK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586997073 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(Cl)c2[nH]1 ZINC000586997101 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997105 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1 ZINC000586997122 JK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1 ZINC000586997129 JK Annotated Clean Brc1ccc(COc2ccccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586997134 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2cc1Br ZINC000586997155 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586997173 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586997180 JK Annotated Anodyne Cc1cc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000586997184 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586997185 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586997195 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586997199 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586997215 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccccc3OCc3ccc(Br)cc3)nc1-2 ZINC000586997227 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc12 ZINC000586997231 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586997298 JK Annotated Anodyne CN(C)CCOc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586997318 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586997323 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C)c(C)c(Br)cc4[nH]3)cc2cc1Br ZINC000586997324 JK Annotated Anodyne CN(C)CCOc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586997327 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586997340 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586997360 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586997368 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586997414 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586997417 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586997421 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](Br)Cc4c(F)cccc4F)nc13)-c1ccccc1C2=O ZINC000586997438 JK Annotated Reactive Cc1ccc2c3c(cc([C@H](Br)Cc4c(F)cccc4F)nc13)-c1ccccc1C2=O ZINC000586997443 JK Annotated Reactive Nc1ccc(-c2ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1N ZINC000586997445 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1N ZINC000586997448 JK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1C(F)(F)F ZINC000586997449 JK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1C(F)(F)F ZINC000586997456 JK Annotated Anodyne CCn1ncc(I)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586997463 JK Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586997469 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4-c4cc(F)cc(C(=O)O)c4)nc13)-c1ccccc1C2=O ZINC000586997474 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586997475 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586997479 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2cc1Br ZINC000586997482 JK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccc(NC(=O)C5CC5)cc4)nc13)-c1ccccc1C2=O ZINC000586997551 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(C(F)(F)F)cc(C(F)(F)F)n4C)nc13)-c1ccccc1C2=O ZINC000586997571 JK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586997581 JK Annotated Anodyne Cc1nc(Cl)c(I)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586997625 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(I)ccc1OCC4)-c1ccccc1C2=O ZINC000586997661 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(I)ccc4F)nc13)-c1ccccc1C2=O ZINC000586997671 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)o2)cc1 ZINC000586997686 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)o2)cc1 ZINC000586997687 JK Annotated Anodyne Cc1ccc2c3c(cc(CCc4ccc(I)cc4)nc13)-c1ccccc1C2=O ZINC000586997692 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586997698 JK Annotated Anodyne CCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997737 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(Oc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586997756 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(Oc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586997758 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(CN5CCOCC5)cc4[nH]3)o2)cc1 ZINC000586997759 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(CN5CCOCC5)cc4[nH]3)o2)cc1 ZINC000586997760 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586997761 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997764 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586997766 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Cl ZINC000586997784 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Cl ZINC000586997790 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586997791 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586997792 JK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586997800 JK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586997803 JK Annotated Anodyne N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586997804 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4c5cccnc5c5ncccc5c4[nH]3)o2)cc1 ZINC000586997818 JK Annotated Bother Brc1ccc(-c2ccc(/C=C/c3nc4c5cccnc5c5ncccc5c4[nH]3)o2)cc1 ZINC000586997823 JK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586997829 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000586997850 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2cc1Br ZINC000586997878 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc-2[nH]1 ZINC000586997879 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc-2[nH]1 ZINC000586997885 JK Annotated Anodyne N#Cc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1C(F)(F)F ZINC000586997887 JK Annotated Mild Brc1ccc(COc2ccccc2-c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586997894 JK Annotated Anodyne COC(=O)c1cc(I)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[nH]1 ZINC000586997897 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586997901 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586997908 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 ZINC000586997923 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1Cc1ccc(I)cc1)-c1ccccc1C3=O ZINC000586997926 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586997931 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 ZINC000586997933 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc1-2 ZINC000586997938 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc1-2 ZINC000586997941 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C)c(Br)ccc4[nH]3)cc2cc1Br ZINC000586997945 JK Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586997966 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586997970 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586997973 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NC(=O)Oc4ccccc4)nc13)-c1ccccc1C2=O ZINC000586997995 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)ccnc2[nH]1 ZINC000586998007 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586998011 JK Annotated Anodyne CC(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586998016 JK Annotated Anodyne N#Cc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1C(F)(F)F ZINC000586998026 JK Annotated Mild N#Cc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1C(F)(F)F ZINC000586998040 JK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998045 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998047 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cnc2[nH]1 ZINC000586998057 JK Annotated Anodyne N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586998072 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2cc1Br ZINC000586998079 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586998083 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998085 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998088 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586998089 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1 ZINC000586998104 JK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1 ZINC000586998106 JK Annotated Clean Cc1cnc(Cl)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000586998107 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998123 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998131 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586998155 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)cc(Br)cc4[nH]3)cc2cc1Br ZINC000586998184 JK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586998190 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c5cccc(I)c45)nc13)-c1ccccc1C2=O ZINC000586998203 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998219 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998225 JK Annotated Reactive Cc1ccc2c3c(cc(CCN(Cc4ccccc4)C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586998249 JK Annotated Anodyne N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586998255 JK Annotated Anodyne COc1ccc(C=Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586998257 JK Annotated Mild Cc1ccc2c3c(c(CCNC(=O)OC(C)(C)C)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586998261 JK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586998262 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)/C(=C/N(C)C)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586998272 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)/C(=C\N(C)C)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586998273 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)/C(=C\N(C)C)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586998274 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)/C(=C/N(C)C)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586998275 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1[N+](=O)[O-] ZINC000586998282 JK Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1[N+](=O)[O-] ZINC000586998283 JK Annotated Bother COC(=O)c1cc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2cc1OC ZINC000586998287 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998306 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998307 JK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586998313 JK Annotated Anodyne Oc1c(Br)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998342 JK Annotated Anodyne Oc1c(Br)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998343 JK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)OCO2 ZINC000586998370 JK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)OCO2 ZINC000586998371 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998374 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998375 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1F ZINC000586998380 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1F ZINC000586998382 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2cc1Br ZINC000586998385 JK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586998390 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998433 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2cc1Br ZINC000586998439 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998445 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998446 JK Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1OC ZINC000586998495 JK Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1OC ZINC000586998496 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998497 JK Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998498 JK Annotated Mild Brc1ccc(-c2ccc(/C=C/c3nc4ccc(OCc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586998499 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(OCc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586998500 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 ZINC000586998506 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 ZINC000586998507 JK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998510 JK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998511 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998538 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998539 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998552 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998566 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998569 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2cc1Br ZINC000586998580 JK Annotated Mild Brc1ccc(-c2ccc(/C=C/c3nc4cc(I)cnc4[nH]3)o2)cc1 ZINC000586998581 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cc(I)cnc4[nH]3)o2)cc1 ZINC000586998582 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C)cc(Br)cc4[nH]3)cc2cc1Br ZINC000586998588 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998594 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998595 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cccc4[nH]3)cc2cc1Br ZINC000586998620 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998632 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998633 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998636 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998637 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998643 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998644 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(F)cc4[nH]3)cc2cc1Br ZINC000586998645 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2cc1Br ZINC000586998650 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2cc1Br ZINC000586998671 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2cc1Br ZINC000586998672 JK Annotated Mild CCOc1cc2oc(=O)c(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2cc1Br ZINC000586998675 JK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586998681 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998695 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998696 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cccc(I)c4[nH]3)o2)cc1 ZINC000586998718 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4cccc(I)c4[nH]3)o2)cc1 ZINC000586998719 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998720 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998721 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998725 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998726 JK Annotated Bother FC1(F)Oc2cc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3cc2O1 ZINC000586998728 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586998729 JK Annotated Clean Brc1ccc(-c2ccc(/C=C\c3nc4ccc(Sc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586998743 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(Sc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586998744 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)NNC(=O)C1 ZINC000586998750 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)NNC(=O)C1 ZINC000586998751 JK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586998762 JK Annotated Bother Clc1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998770 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998771 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)ccc4[nH]3)cc2cc1Br ZINC000586998782 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998784 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998785 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1F ZINC000586998808 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1F ZINC000586998809 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998812 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998813 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2cc1Br ZINC000586998829 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2cc1Br ZINC000586998842 JK Annotated Bother CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2cc1Br ZINC000586998878 JK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586998884 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(I)cc4[nH]3)o2)cc1 ZINC000586998896 JK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(I)cc4[nH]3)o2)cc1 ZINC000586998897 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000586998914 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000586998915 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998936 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998937 JK Annotated Reactive Cc1c(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1C ZINC000586998947 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1C ZINC000586998948 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cn1 ZINC000586998949 JK Annotated Anodyne Cc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Br ZINC000586998950 JK Annotated Anodyne Cc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Br ZINC000586998951 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1OC ZINC000586998952 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1OC ZINC000586998953 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1)C(F)(F)F ZINC000586998978 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2cc1Br ZINC000586998997 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2cc1Br ZINC000586999003 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl ZINC000586999007 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl ZINC000586999008 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1C ZINC000586999010 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1C ZINC000586999011 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2cc1Br ZINC000586999022 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(C)cc4[nH]3)cc2cc1Br ZINC000586999030 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(F)c(Br)cc4[nH]3)cc2cc1Br ZINC000586999037 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1 ZINC000586999040 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1 ZINC000586999041 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)c(F)ccc4[nH]3)cc2cc1Br ZINC000586999063 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1)C(F)(F)F ZINC000586999079 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1OC ZINC000586999086 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999090 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999091 JK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c21 ZINC000586999100 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c21 ZINC000586999101 JK Annotated Clean Brc1ccc(-c2ccc(/C=C\c3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)cc1 ZINC000586999118 JK Annotated Bother Brc1ccc(-c2ccc(/C=C/c3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)cc1 ZINC000586999119 JK Annotated Bother Brc1ccc(-c2ccc(/C=C/c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 ZINC000586999120 JK Annotated Bother Brc1ccc(-c2ccc(/C=C\c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 ZINC000586999121 JK Annotated Bother Cc1nc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586999133 JK Annotated Anodyne Cc1nc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586999134 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586999135 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586999136 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586999139 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586999140 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999141 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999142 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586999158 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncc(Br)c(Cl)c4[nH]3)cc2cc1Br ZINC000586999184 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(C)cc4[nH]3)cc2cc1Br ZINC000586999187 JK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccc(Sc4ccccc4)cc3[nH]1)OCO2 ZINC000586999188 JK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccc(Sc4ccccc4)cc3[nH]1)OCO2 ZINC000586999189 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586999206 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2cc1Br ZINC000586999251 JK Annotated Anodyne Fc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1Br ZINC000586999294 JK Annotated Anodyne Fc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1Br ZINC000586999295 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999302 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999303 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586999323 JK Annotated Bother FC(F)(F)Oc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586999324 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999328 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999329 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(Cl)cc4[nH]3)cc2cc1Br ZINC000586999367 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)c(Br)ccc4[nH]3)cc2cc1Br ZINC000586999383 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999388 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999389 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2cc1Br ZINC000586999393 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999396 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999397 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000586999442 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000586999493 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(ccc5nc(C)ccc54)[nH]3)cc2cc1Br ZINC000586999509 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000586999516 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2cc1Br ZINC000586999527 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2cc1Br ZINC000586999536 JK Annotated Bother Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000586999542 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999548 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999549 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000586999552 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000586999553 JK Annotated Anodyne Cc1nc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1Br ZINC000586999555 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000586999563 JK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3cc2O1 ZINC000586999570 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(Br)cnc3NCc3ccccc3)nc1-2 ZINC000586999612 JK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000586999625 JK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000586999626 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1Br ZINC000586999636 JK Annotated Anodyne Cc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000586999637 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000586999652 JK Annotated Anodyne Brc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c1OCCO2 ZINC000586999692 JK Annotated Bother Brc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c1OCCO2 ZINC000586999696 JK Annotated Bother Brc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc2c1OCCO2 ZINC000586999699 JK Annotated Bother Brc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc2c1OCCO2 ZINC000586999704 JK Annotated Bother Cc1c(Br)cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1C ZINC000586999707 JK Annotated Anodyne Cc1c(Br)cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1C ZINC000586999708 JK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000586999711 JK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000586999714 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(COc3ccc4ccccc4c3Br)nc1-2 ZINC000586999723 JK Annotated Anodyne Brc1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc2c1OCCO2 ZINC000586999758 JK Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc2c1OCCO2 ZINC000586999759 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000586999767 JK Annotated Anodyne Fc1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1Br ZINC000586999774 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586999781 JK Annotated Bother CCOc1cc2oc(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2cc1Br ZINC000586999787 JK Annotated Bother FC(F)(F)Oc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Cl ZINC000586999815 JK Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3c2)cc1 ZINC000586999836 JK Annotated Clean N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586999856 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000586999878 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000586999893 JK Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000586999897 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000586999899 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586999903 JK Annotated Anodyne Brc1c(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)ccc2ccccc12 ZINC000586999905 JK Annotated Bother Fc1cc(Br)cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999942 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000586999946 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1F ZINC000586999947 JK Annotated Anodyne Fc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1Br ZINC000586999962 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586999968 JK Annotated Anodyne Clc1ncc(Br)c2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999974 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1C(F)(F)F ZINC000586999990 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000008 JK Annotated Mild FC(F)(F)Oc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Cl ZINC000587000013 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000024 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000035 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000036 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000587000039 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587000044 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(COc4ccc5ccccc5c4Br)[nH]c3c2)cc1 ZINC000587000048 JK Annotated Clean FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000587000067 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000587000068 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587000108 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1N ZINC000587000113 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1N ZINC000587000116 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000151 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000153 JK Annotated Anodyne Brc1c(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)ccc2ccccc12 ZINC000587000158 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000172 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000173 JK Annotated Anodyne Fc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1Br ZINC000587000217 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1C ZINC000587000296 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(CO)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000322 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(CO)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000330 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000333 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000338 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000353 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000367 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000368 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000399 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000400 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000401 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000407 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000414 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000420 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000427 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000431 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000432 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587000434 JK Annotated Bother Fc1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1-n1cccn1 ZINC000587000445 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000456 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587000459 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000587000489 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000492 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000495 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(C)nccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000505 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(C)nccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000506 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000514 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000517 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000518 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000520 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587000582 JK Annotated Reactive Clc1c(Br)cnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 ZINC000587000591 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587000598 JK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1Br ZINC000587000606 JK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1Br ZINC000587000607 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587000619 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587000655 JK Annotated Bother FS(F)(F)(F)(F)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587000657 JK Annotated Reactive Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587000662 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587000665 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587000675 JK Annotated Mild O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587000705 JK Annotated Reactive O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587000710 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3c2)cc1 ZINC000587000718 JK Annotated Clean CCOc1cc2oc(=O)c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2cc1Br ZINC000587000723 JK Annotated Anodyne Brc1c(OCc2nc3cc(I)cnc3[nH]2)ccc2ccccc12 ZINC000587000734 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000587000744 JK Annotated Anodyne Cc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000745 JK Annotated Anodyne Cc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000747 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000587000798 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3nn(CC)cc3Br)[nH]c2cc1Br ZINC000587000799 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000587000800 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587000833 JK Annotated Bother Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587000856 JK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000587000867 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587000903 JK Annotated Reactive FC(F)(F)c1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587000936 JK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587000942 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000944 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000947 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccnc(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000998 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccnc(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000999 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587001018 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587001019 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001033 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001037 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587001054 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OC)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001067 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OC)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001069 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001079 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001081 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587001103 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587001112 JK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)n1 ZINC000587001113 JK Annotated Anodyne N#Cc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587001123 JK Annotated Mild Fc1c(F)c(F)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1F ZINC000587001129 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccnc(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001131 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccnc(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001134 JK Annotated Anodyne Clc1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587001135 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001146 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001150 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587001153 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cn1 ZINC000587001155 JK Annotated Anodyne Fc1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587001167 JK Annotated Anodyne Cc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587001170 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccccc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001172 JK Annotated Anodyne Cc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587001174 JK Annotated Anodyne Brc1cc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc2c1OCCO2 ZINC000587001177 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccccc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001183 JK Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc2c1OCCO2 ZINC000587001191 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587001193 JK Annotated Anodyne Brc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc2c1OCCO2 ZINC000587001195 JK Annotated Bother Brc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc2c1OCCO2 ZINC000587001198 JK Annotated Bother Brc1cnc(NCc2ccccc2)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587001205 JK Annotated Anodyne Brc1c(OCc2nc3ccc(I)cc3[nH]2)ccc2ccccc12 ZINC000587001262 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587001268 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587001286 JK Annotated Anodyne Fc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1Br ZINC000587001290 JK Annotated Anodyne Fc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1Br ZINC000587001294 JK Annotated Anodyne Fc1c(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1F ZINC000587001301 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(N)c(N)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001316 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(N)c(N)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001318 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587001328 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587001342 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000587001364 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587001370 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000587001378 JK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587001379 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Cl ZINC000587001380 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3c2)cc1N ZINC000587001406 JK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)cc2cc1Br ZINC000587001429 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587001459 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3c2)cc1 ZINC000587001472 JK Annotated Clean Cc1c(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1C ZINC000587001494 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1C ZINC000587001497 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587001509 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587001510 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587001542 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587001544 JK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587001545 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)cc(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001555 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)cc(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001557 JK Annotated Anodyne CCCCOc1cc2nc(Cc3nn(CC)cc3Br)[nH]c2cc1Br ZINC000587001580 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000587001583 JK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000587001584 JK Annotated Clean FC(F)(F)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Cl ZINC000587001586 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(COc4ccc5ccccc5c4Br)[nH]c3c2)cc1N ZINC000587001587 JK Annotated Anodyne Clc1ncc(Br)c2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587001591 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587001626 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001640 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001645 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cnccc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001672 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cnccc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001678 JK Annotated Anodyne Brc1c(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc2ccccc12 ZINC000587001679 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587001718 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4nc(Cl)c[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587001723 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4nc(Cl)c[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587001726 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001736 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001741 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001750 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001755 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(O)ncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001761 JK Annotated Anodyne Cc1c(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1C ZINC000587001762 JK Annotated Anodyne Clc1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001763 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587001764 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(O)ncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001765 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587001768 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587001773 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587001776 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587001778 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587001782 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(C)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001799 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(C)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001801 JK Annotated Anodyne CCCCOc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587001813 JK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587001820 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Cl)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001822 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(N)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001824 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Cl)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001825 JK Annotated Anodyne Brc1c(OCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc2ccccc12 ZINC000587001827 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(N)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001829 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cncc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001830 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cncc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001834 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001844 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001845 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001851 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001854 JK Annotated Reactive Brc1c(OCc2nc3cccc(I)c3[nH]2)ccc2ccccc12 ZINC000587001857 JK Annotated Anodyne CCCOc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587001863 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Cl)ncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001875 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2c(Br)cccc2O1 ZINC000587001923 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2c(Br)cccc2O1 ZINC000587001924 JK Annotated Anodyne Brc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1OCc1ccccc1 ZINC000587001939 JK Annotated Anodyne Brc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587001947 JK Annotated Anodyne O=C1C[C@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(Br)cccc2O1 ZINC000587001949 JK Annotated Bother O=C1C[C@@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(Br)cccc2O1 ZINC000587001950 JK Annotated Bother O=C1C[C@@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001959 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001960 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001965 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001966 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(COc3ccc4ccccc4c3Br)nc-2[nH]1 ZINC000587002005 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Cl)ncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002017 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002025 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002026 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)cc1 ZINC000587002028 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002068 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002069 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002079 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002080 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C#N)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002084 JK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccc4ccccc4c3Br)[nH]c21 ZINC000587002085 JK Annotated Clean CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C#N)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002087 JK Annotated Mild CCCOc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002109 JK Annotated Anodyne CCCOc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002110 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587002115 JK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587002116 JK Annotated Bother Fc1c(Br)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587002117 JK Annotated Anodyne C=CCc1cccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c12 ZINC000587002122 JK Annotated Mild C=CCc1cccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c12 ZINC000587002124 JK Annotated Mild CCOc1ccc(/C=C\c2cc(-c3nc4cnnc(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002129 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cnnc(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002135 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002142 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002150 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587002154 JK Annotated Anodyne N#Cc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1C(F)(F)F ZINC000587002172 JK Annotated Mild N#Cc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1C(F)(F)F ZINC000587002175 JK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4cnnc(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002179 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cnnc(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002182 JK Annotated Anodyne Fc1c(Br)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587002206 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C#N)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002211 JK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C#N)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002212 JK Annotated Mild Fc1cnc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc12 ZINC000587002239 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002241 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002242 JK Annotated Anodyne CCCOc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587002252 JK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)n1 ZINC000587002256 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccnc(OC)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002284 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccnc(OC)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002286 JK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587002288 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1C ZINC000587002292 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cnncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002305 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cnncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002308 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002309 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002312 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002324 JK Annotated Anodyne CC(C)Oc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587002370 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587002371 JK Annotated Bother Cc1cc(Br)cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587002387 JK Annotated Anodyne Cc1cc(Br)cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587002390 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002391 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002394 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002419 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002420 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002422 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587002441 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002445 JK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002446 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(F)c(Br)c4[nH]3)cc(Br)c21 ZINC000587002492 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587002495 JK Annotated Bother CCCn1cnc2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc(Br)c21 ZINC000587002506 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1F ZINC000587002526 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1F ZINC000587002529 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cccc(I)c4[nH]3)cc(Br)c21 ZINC000587002531 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc(Br)c21 ZINC000587002542 JK Annotated Anodyne Brc1c(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)ccc2ccccc12 ZINC000587002555 JK Annotated Bother Cc1cc(Br)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587002560 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587002562 JK Annotated Anodyne Brc1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc2c1OCCO2 ZINC000587002566 JK Annotated Anodyne Brc1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc2c1OCCO2 ZINC000587002567 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(Br)c5cc(C)oc45)[nH]c3c2)cc1 ZINC000587002586 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc(Br)c21 ZINC000587002612 JK Annotated Bother CCCn1cnc2cc(-c3nc4ccc(I)cc4[nH]3)cc(Br)c21 ZINC000587002654 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c2o1 ZINC000587002656 JK Annotated Anodyne Brc1cc(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc2c1OCCO2 ZINC000587002677 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cnc(Cl)[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587002679 JK Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc2c1OCCO2 ZINC000587002680 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cnc(Cl)[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587002681 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cn1 ZINC000587002682 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587002718 JK Annotated Bother CC(C)Oc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587002720 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587002731 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002749 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002751 JK Annotated Anodyne FC(F)(F)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587002752 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002765 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002768 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002772 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002773 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587002774 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002775 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002776 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cncc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002795 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cncc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002800 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2o1 ZINC000587002806 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)cc(Br)c21 ZINC000587002842 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)c(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002851 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)c(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002854 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002861 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002863 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002867 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)c(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002882 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)c(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002885 JK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587002901 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cncc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002903 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cncc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002905 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c21 ZINC000587002911 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c21 ZINC000587002915 JK Annotated Clean FC(F)(F)c1c(Br)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002923 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587002941 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587002946 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587002948 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587002953 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587003029 JK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003072 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003073 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc(Br)c21 ZINC000587003135 JK Annotated Bother CCCn1cnc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc(Br)c21 ZINC000587003138 JK Annotated Bother Cc1cc2c(Br)ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2o1 ZINC000587003140 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(C#N)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003143 JK Annotated Mild Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2o1 ZINC000587003144 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(C#N)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003145 JK Annotated Mild N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587003158 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(C)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003172 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(C)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003177 JK Annotated Anodyne CCc1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587003179 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Cl)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003180 JK Annotated Anodyne CCc1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587003181 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Cl)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003182 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Br)c(O)c4[nH]3)cc(Br)c21 ZINC000587003184 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003189 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003191 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003195 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003197 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587003219 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc(Br)c21 ZINC000587003222 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc(Br)c21 ZINC000587003277 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003296 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003301 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003303 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003304 JK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587003311 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(N)ncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003314 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(N)ncnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003316 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cc1Br ZINC000587003336 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003341 JK Annotated Reactive N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587003350 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587003357 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2o1 ZINC000587003359 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003362 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587003364 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003370 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2o1 ZINC000587003381 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)cc(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003382 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)cc(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003385 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(CC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003393 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(CC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003394 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2o1 ZINC000587003411 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587003421 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587003427 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2o1 ZINC000587003435 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc(Br)c21 ZINC000587003654 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2o1 ZINC000587003663 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003678 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003682 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1 ZINC000587003686 JK Annotated Clean Nc1ccc(Oc2ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1 ZINC000587003692 JK Annotated Clean CCCn1cnc2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc(Br)c21 ZINC000587003693 JK Annotated Bother CCCn1cnc2cc(-c3nc4ccc(Br)c(F)c4[nH]3)cc(Br)c21 ZINC000587003705 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(C)nccc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003719 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(C)nccc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003721 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc(Br)c21 ZINC000587003759 JK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003761 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(OC)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003763 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003766 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(OC)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003767 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccnc(N)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003780 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Cl ZINC000587003782 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccnc(N)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003784 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2o1 ZINC000587003785 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc(Br)c21 ZINC000587003814 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc(Br)c21 ZINC000587003853 JK Annotated Bother N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587003862 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587003864 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc(Br)c21 ZINC000587003887 JK Annotated Clean CCCOc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cc1Br ZINC000587003902 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c1 ZINC000587003915 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc(Br)c21 ZINC000587003953 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003960 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003961 JK Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587003983 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc(Br)c21 ZINC000587003989 JK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4ncc[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004000 JK Annotated Anodyne CC(C)COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587004004 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ncc[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004005 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c1 ZINC000587004018 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004046 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004051 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc(Br)c21 ZINC000587004053 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc(Br)c21 ZINC000587004058 JK Annotated Clean COc1cccc(/C=C\c2cc(-c3nc4cc(N)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004066 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(N)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004069 JK Annotated Anodyne CCCOc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587004081 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)cc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004090 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)cc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004091 JK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004222 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004224 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004238 JK Annotated Bother O=C1C[C@H](Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004240 JK Annotated Bother CCCn1cnc2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc(Br)c21 ZINC000587004241 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(Br)cccc2O1 ZINC000587004242 JK Annotated Bother O=C1C[C@H](Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(Br)cccc2O1 ZINC000587004245 JK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cnccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004252 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cnccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004255 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(I)cc4[nH]3)c2o1 ZINC000587004256 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc(Br)c21 ZINC000587004281 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004282 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2o1 ZINC000587004283 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004284 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587004292 JK Annotated Bother Cc1cc2c(Br)ccc(-c3nc4cccc(I)c4[nH]3)c2o1 ZINC000587004295 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc(Br)c21 ZINC000587004318 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc(Br)c21 ZINC000587004339 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(N)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004342 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2o1 ZINC000587004343 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(N)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004344 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)cc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004375 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)cc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004378 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccnc6[nH]cc(Br)c56)[nH]c4c3)o2)cc1 ZINC000587004379 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587004391 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2o1 ZINC000587004404 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587004407 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)c(F)cc4[nH]3)cc(Br)c21 ZINC000587004420 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(Br)c4c(c3)ncn4CCC)[nH]c2cc1Br ZINC000587004423 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2o1 ZINC000587004425 JK Annotated Reactive Brc1ccc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587004430 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc(Br)c21 ZINC000587004436 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ncc[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587004446 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ncc[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587004448 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(N)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004457 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(N)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004459 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 ZINC000587004461 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc(Br)c21 ZINC000587004467 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)cc(F)c4[nH]3)cc(Br)c21 ZINC000587004473 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C#N)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004481 JK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4ccc(C#N)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004483 JK Annotated Mild CCCn1cnc2cc(-c3nc4cc(F)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587004494 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587004521 JK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004530 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004531 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004549 JK Annotated Reactive O=C1C[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004550 JK Annotated Reactive Cc1cc2c(Br)ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2o1 ZINC000587004593 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2o1 ZINC000587004602 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4c(F)cnc(Br)c4[nH]3)cc(Br)c21 ZINC000587004608 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 ZINC000587004618 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2o1 ZINC000587004622 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587004647 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(C)nc(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004652 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(C)nc(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004657 JK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2o1 ZINC000587004665 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cnncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004680 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cnncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004681 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccnc(N)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004695 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccnc(N)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004696 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(C)nc(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004719 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(C)nc(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004720 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004721 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004722 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587004749 JK Annotated Mild Cc1cc2c(Br)ccc(-c3nc4cc(I)cnc4[nH]3)c2o1 ZINC000587004754 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(N)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004756 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(N)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004757 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cc1Br ZINC000587004765 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(O)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004769 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(O)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004770 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004772 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004774 JK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(C)=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004781 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587004782 JK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(C)=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004783 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004791 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004792 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587004810 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004828 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004830 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587004840 JK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004843 JK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004844 JK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004847 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004848 JK Annotated Anodyne CC(C)n1c(-c2nc3c(O)c(Br)ccc3[nH]2)cc(Br)c1Br ZINC000587004858 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587004861 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc(Br)c1Br ZINC000587004883 JK Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587004894 JK Annotated Anodyne CCCCOc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587004899 JK Annotated Anodyne CC(C)n1c(-c2nc3ncc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587004900 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)cc(Br)c1Br ZINC000587004901 JK Annotated Mild CC(C)n1c(-c2nc3c(F)c(Br)ccc3[nH]2)cc(Br)c1Br ZINC000587004911 JK Annotated Anodyne Clc1ccc(Br)nc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587004915 JK Annotated Anodyne CC(C)n1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc(Br)c1Br ZINC000587004916 JK Annotated Anodyne CC(C)n1c(-c2nc3nc(Br)ccc3[nH]2)cc(Br)c1Br ZINC000587004919 JK Annotated Anodyne CC(C)n1c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc(Br)c1Br ZINC000587004926 JK Annotated Anodyne CC(C)n1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587004932 JK Annotated Anodyne Clc1ccc(Br)nc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587004940 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587004960 JK Annotated Anodyne CC(C)n1c(-c2nc3nccc(Br)c3[nH]2)cc(Br)c1Br ZINC000587004969 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc(Br)c1Br ZINC000587004974 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc(Br)c21 ZINC000587004980 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc(Br)c1Br ZINC000587004989 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)c(F)ccc3[nH]2)cc(Br)c1Br ZINC000587004990 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc(Br)c1Br ZINC000587004996 JK Annotated Anodyne CC(C)n1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005016 JK Annotated Anodyne CC(C)n1c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc(Br)c1Br ZINC000587005019 JK Annotated Anodyne CC(C)n1c(-c2nc3cnc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005026 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005027 JK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 ZINC000587005040 JK Annotated Anodyne CC(C)n1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Br)c1Br ZINC000587005044 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cncc3[nH]2)cc(Br)c1Br ZINC000587005051 JK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 ZINC000587005058 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc(Br)c1Br ZINC000587005061 JK Annotated Anodyne CC(C)n1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005066 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587005067 JK Annotated Anodyne CC(C)n1c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc(Br)c1Br ZINC000587005075 JK Annotated Anodyne CC(C)n1c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005086 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587005093 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005098 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc(Br)c1Br ZINC000587005101 JK Annotated Anodyne CC(C)n1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Br)c1Br ZINC000587005106 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587005107 JK Annotated Anodyne CC(C)n1c(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc(Br)c1Br ZINC000587005110 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)ncc(F)c3[nH]2)cc(Br)c1Br ZINC000587005124 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005131 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005134 JK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc(Br)c21 ZINC000587005142 JK Annotated Anodyne CC(C)n1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)c1Br ZINC000587005145 JK Annotated Bother CC(C)n1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc(Br)c1Br ZINC000587005147 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005148 JK Annotated Anodyne CC(C)COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587005150 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 ZINC000587005154 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc(Br)c1Br ZINC000587005160 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005173 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000587005194 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005198 JK Annotated Anodyne CCCCCOc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005217 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005232 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccnc(Br)c5Cl)[nH]c4c3)o2)cc1 ZINC000587005235 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005252 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005256 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005259 JK Annotated Anodyne CC(C)n1c(-c2nc3c(F)cc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005279 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(F)c(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005281 JK Annotated Anodyne Clc1ccc(Br)nc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587005289 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nc(Br)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000587005292 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cc(C#N)cc3[nH]2)cc(Br)c1Br ZINC000587005294 JK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005322 JK Annotated Anodyne CC(C)n1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1Br ZINC000587005338 JK Annotated Bother CC(C)n1c(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005342 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1C ZINC000587005343 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cccc3[nH]2)cc(Br)c1Br ZINC000587005348 JK Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c12 ZINC000587005355 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005363 JK Annotated Anodyne CC(C)COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005370 JK Annotated Anodyne Clc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)ccnc1Br ZINC000587005382 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005423 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br ZINC000587005434 JK Annotated Bother CC(C)n1c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc(Br)c1Br ZINC000587005445 JK Annotated Anodyne CC(C)n1c(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc(Br)c1Br ZINC000587005448 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc(Br)c1Br ZINC000587005456 JK Annotated Anodyne Cc1nc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2cc1Br ZINC000587005467 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 ZINC000587005473 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005484 JK Annotated Anodyne CC(C)n1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005488 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(Br)ccc3[nH]2)cc(Br)c1Br ZINC000587005492 JK Annotated Anodyne CC(C)n1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc(Br)c1Br ZINC000587005497 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005501 JK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cc(F)cc3[nH]2)cc(Br)c1Br ZINC000587005518 JK Annotated Anodyne CC(C)n1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Br)c1Br ZINC000587005527 JK Annotated Anodyne CCCCCOc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587005536 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc(Br)c1Br ZINC000587005538 JK Annotated Clean CC(C)n1c(-c2nc3c(Br)nccc3[nH]2)cc(Br)c1Br ZINC000587005540 JK Annotated Anodyne CC(C)n1c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005541 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005543 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005560 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005576 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005579 JK Annotated Anodyne CCCCOc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005588 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005591 JK Annotated Anodyne Clc1cnc(Br)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000587005766 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nc(Cl)cnc5Br)[nH]c4c3)o2)cc1 ZINC000587005767 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005781 JK Annotated Anodyne Clc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)ccnc1Br ZINC000587005784 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005786 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005801 JK Annotated Anodyne Clc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccnc1Br ZINC000587005834 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005852 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005866 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005873 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587005916 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587005934 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006068 JK Annotated Anodyne Brc1ccc2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)cn2c1 ZINC000587006071 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006128 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3c2)cc1 ZINC000587006135 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnn6cccc(Br)c56)[nH]c4c3)o2)cc1 ZINC000587006151 JK Annotated Anodyne O=c1c(-c2nc3c(F)c(Br)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006154 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006165 JK Annotated Anodyne O=c1c(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006176 JK Annotated Anodyne O=c1c(-c2nc3c(F)cc(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006207 JK Annotated Anodyne O=c1c(-c2nc3cc(F)c(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006213 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006219 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587006220 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587006229 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006235 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587006256 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006260 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2c(F)c1Nc1ccccc1 ZINC000587006264 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587006288 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587006303 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587006318 JK Annotated Anodyne Brc1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1OCc1ccccc1 ZINC000587006353 JK Annotated Anodyne Brc1ccc2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cn2c1 ZINC000587006371 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006385 JK Annotated Anodyne N#Cc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1C(F)(F)F ZINC000587006391 JK Annotated Mild O=c1c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006409 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587006424 JK Annotated Anodyne O=c1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006438 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006456 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006458 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006463 JK Annotated Anodyne O=c1c(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006472 JK Annotated Anodyne O=c1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006482 JK Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006513 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006516 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587006532 JK Annotated Anodyne Brc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1OCc1ccccc1 ZINC000587006544 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587006600 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006621 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006653 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006659 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006664 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587006677 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006679 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006689 JK Annotated Anodyne O=c1c(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006690 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006692 JK Annotated Anodyne O=c1c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006699 JK Annotated Anodyne Brc1ccc2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)cn2c1 ZINC000587006723 JK Annotated Anodyne N#Cc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1C(F)(F)F ZINC000587006738 JK Annotated Mild Brc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006750 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006753 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006759 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006780 JK Annotated Anodyne Brc1cnc2c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cnn2c1 ZINC000587006781 JK Annotated Anodyne O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006791 JK Annotated Bother Cc1cc(Br)cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587006820 JK Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006825 JK Annotated Anodyne O=c1c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006828 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006833 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587006861 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006883 JK Annotated Anodyne O=c1c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006884 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006893 JK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587006904 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006905 JK Annotated Anodyne CC(C)Oc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587006906 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cccn6c(Br)cnc56)nc4c3)o2)cc1 ZINC000587006918 JK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006974 JK Annotated Anodyne O=c1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006996 JK Annotated Bother FC(F)(F)c1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587007013 JK Annotated Anodyne O=c1c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007017 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6ccc(Br)cn6c5)[nH]c4c3)o2)cc1 ZINC000587007018 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 ZINC000587007050 JK Annotated Anodyne O=c1c(-c2nc3c(Br)c(F)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007055 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587007081 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007085 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587007092 JK Annotated Anodyne O=c1c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007119 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587007121 JK Annotated Anodyne CCCOc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587007130 JK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007187 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007190 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587007193 JK Annotated Anodyne Brc1n[nH]c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc12 ZINC000587007196 JK Annotated Anodyne CC(C)(C)c1cccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587007219 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007223 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007244 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587007251 JK Annotated Anodyne Brc1ccc2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)cn2c1 ZINC000587007259 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587007309 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587007320 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007345 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007349 JK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587007391 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007394 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007418 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007419 JK Annotated Bother O=C(Nc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007425 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 ZINC000587007427 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007432 JK Annotated Anodyne CCCCOc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587007434 JK Annotated Anodyne O=c1c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007436 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587007472 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587007492 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cnn5cccc(Br)c45)[nH]c3c2)cc1 ZINC000587007501 JK Annotated Anodyne Cc1nc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2cc1Br ZINC000587007669 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007714 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587007717 JK Annotated Anodyne Brc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1Br ZINC000587007735 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007781 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587007791 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587007830 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587007854 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587007867 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br ZINC000587007920 JK Annotated Mild O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007928 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 ZINC000587007934 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008199 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008261 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000587008271 JK Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c32)n1 ZINC000587008298 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008318 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008341 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008364 JK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2n1 ZINC000587008377 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008380 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008384 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587008437 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587008442 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587008444 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587008465 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587008625 JK Annotated Anodyne C[C@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587008737 JK Annotated Reactive Cc1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000587008787 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000587008796 JK Annotated Reactive O=C(Nc1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1)c1ccc(Br)o1 ZINC000587008800 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008885 JK Annotated Bother CCCCCCCCOc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br ZINC000587009117 JK Annotated Reactive O=C(O)c1cc2[nH]c([C@@H](Cl)CCl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587009135 JK Annotated Reactive O=C(O)c1cc2[nH]c([C@H](Cl)CCl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587009136 JK Annotated Reactive COc1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009717 JK Annotated Anodyne COc1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009718 JK Annotated Anodyne COc1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009719 JK Annotated Anodyne COc1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009720 JK Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587009870 JK Annotated Reactive CCc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009946 JK Annotated Anodyne CCc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009947 JK Annotated Anodyne CCc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009949 JK Annotated Anodyne CCc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009950 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009978 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009980 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009981 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009982 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010081 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cncc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010082 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cncc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010083 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010084 JK Annotated Anodyne Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010091 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010092 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010093 JK Annotated Anodyne Cc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010094 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010245 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010246 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010247 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010248 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010274 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010275 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010276 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010277 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010361 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010362 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010363 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010364 JK Annotated Anodyne Cc1cc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c(C)n1 ZINC000587010365 JK Annotated Anodyne Cc1cc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c(C)n1 ZINC000587010366 JK Annotated Anodyne Cc1cc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c(C)n1 ZINC000587010367 JK Annotated Anodyne Cc1cc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c(C)n1 ZINC000587010368 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010441 JK Annotated Anodyne Cc1nc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1Br ZINC000587010452 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cn1 ZINC000587010453 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010466 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010468 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010469 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010470 JK Annotated Anodyne c1ccc(Oc2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)cc1 ZINC000587010487 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010498 JK Annotated Reactive Cc1c(Br)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010505 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010534 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010535 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010536 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010537 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1OC ZINC000587010543 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010586 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010612 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010616 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010619 JK Annotated Anodyne N#Cc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1C(F)(F)F ZINC000587010632 JK Annotated Mild Cc1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010633 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010697 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010699 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010700 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010701 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010704 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010705 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010706 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010707 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587010730 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587010774 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587010783 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3oc4ccccc4c3CSc3cccs3)nc1-2 ZINC000587010784 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010787 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587010790 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587010802 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(Br)nc5C)[nH]c4c3)o2)cc1 ZINC000587010817 JK Annotated Anodyne Fc1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010819 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587010830 JK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc12 ZINC000587010837 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587010844 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Cl ZINC000587010855 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010857 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587010866 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587010869 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010890 JK Annotated Anodyne Ic1cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010910 JK Annotated Anodyne Ic1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010925 JK Annotated Anodyne c1csc(SCc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)oc3ccccc23)c1 ZINC000587010926 JK Annotated Bother Cc1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010960 JK Annotated Anodyne Cc1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010962 JK Annotated Anodyne Cc1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010964 JK Annotated Anodyne Cc1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010966 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587010971 JK Annotated Reactive c1csc(SCc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)oc3ccccc23)c1 ZINC000587010975 JK Annotated Bother Fc1c(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1F ZINC000587010990 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2c1 ZINC000587011074 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587011143 JK Annotated Anodyne c1csc(SCc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)oc3ccccc23)c1 ZINC000587011150 JK Annotated Bother Fc1cc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2cc1Cl ZINC000587011165 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587011166 JK Annotated Mild CCCCOc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1Br ZINC000587011171 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587011183 JK Annotated Anodyne Fc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1Br ZINC000587011198 JK Annotated Anodyne c1ccc(COc2cccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c23)cc1 ZINC000587011213 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587011221 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587011258 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011259 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011260 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011261 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011262 JK Annotated Anodyne Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587011289 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587011298 JK Annotated Anodyne Cc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587011300 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587011302 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1[N+](=O)[O-] ZINC000587011317 JK Annotated Bother Fc1cnc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587011320 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587011322 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4sc(-c5ccccc5)nc4C)[nH]c3c2)cc1 ZINC000587011328 JK Annotated Anodyne Oc1c(Br)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587011336 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587011340 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 ZINC000587011347 JK Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011352 JK Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011353 JK Annotated Anodyne Cc1c(F)ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011354 JK Annotated Anodyne Cc1c(F)ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011357 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1C ZINC000587011381 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587011394 JK Annotated Anodyne c1csc(SCc2c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)oc3ccccc23)c1 ZINC000587011412 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011416 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011417 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011418 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011421 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011422 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011423 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011424 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011425 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587011426 JK Annotated Anodyne c1ccc(Sc2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)cc1 ZINC000587011433 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)NNC(=O)C1 ZINC000587011434 JK Annotated Anodyne Fc1cc(Br)cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 ZINC000587011469 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5sc(-c6ccccc6)nc5C)[nH]c4c3)o2)cc1 ZINC000587011476 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011505 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011506 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011509 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011510 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587011512 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587011532 JK Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587011550 JK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cncc(Br)c4[nH]3)cs2)cc1 ZINC000587011573 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587011575 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587011590 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587011596 JK Annotated Anodyne Cc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587011613 JK Annotated Anodyne Cc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587011616 JK Annotated Anodyne Cc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587011618 JK Annotated Anodyne Cc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587011620 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Cl ZINC000587011644 JK Annotated Anodyne CC(C)COc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587011667 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587011669 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587011683 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1Br ZINC000587011695 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c21 ZINC000587011724 JK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cs2)cc1 ZINC000587011738 JK Annotated Anodyne Clc1ncc(Br)c2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587011776 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3oc4ccccc4c3CSc3cccs3)nc-2[nH]1 ZINC000587011803 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587011808 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cs2)cc1 ZINC000587011835 JK Annotated Anodyne CCCCCOc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1Br ZINC000587011836 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587011867 JK Annotated Anodyne Cc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011876 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc(Br)sc3C3CC3)[nH]c21 ZINC000587011878 JK Annotated Clean Cc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011879 JK Annotated Anodyne Cc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011880 JK Annotated Anodyne Cc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011881 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587011891 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nc(-c6ccc(C)cc6)sc5C)[nH]c4c3)o2)cc1 ZINC000587011893 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cs2)cc1 ZINC000587011895 JK Annotated Anodyne N#Cc1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011913 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cs2)cc1 ZINC000587011914 JK Annotated Anodyne Fc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1Br ZINC000587011925 JK Annotated Anodyne N#Cc1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011926 JK Annotated Mild Cc1c(Cl)ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587011930 JK Annotated Anodyne N#Cc1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011931 JK Annotated Mild N#Cc1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011933 JK Annotated Mild Brc1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C2CC2)s1 ZINC000587011934 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cs2)cc1 ZINC000587011938 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)cc1N ZINC000587011998 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc(C4CC4)nc3C)[nH]c2cc1Br ZINC000587012094 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(Br)c4[nH]3)cs2)cc1 ZINC000587012109 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4nc(Br)c[nH]c-4n3)cs2)cc1 ZINC000587012127 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nc(-c5ccc(C)cc5)sc4C)[nH]c3c2)cc1 ZINC000587012152 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587012178 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587012179 JK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587012189 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587012194 JK Annotated Bother Cc1cc(F)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012217 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012218 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012221 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012226 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587012242 JK Annotated Anodyne Ic1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587012245 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Br)nc4[nH]3)cs2)cc1 ZINC000587012282 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cs2)cc1 ZINC000587012285 JK Annotated Anodyne CCCOc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587012294 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587012303 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012308 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)cc1 ZINC000587012311 JK Annotated Clean O=C(O)[C@H]1[C@@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012312 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012314 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012316 JK Annotated Anodyne Cc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587012325 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587012355 JK Annotated Anodyne Brc1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C2CC2)s1 ZINC000587012357 JK Annotated Anodyne c1csc(SCc2c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)oc3ccccc23)c1 ZINC000587012375 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587012405 JK Annotated Anodyne COC(=O)c1cc2nc(-c3sc(Br)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587012413 JK Annotated Anodyne Fc1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1Br ZINC000587012424 JK Annotated Anodyne Brc1nc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C2CC2)s1 ZINC000587012452 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587012462 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cs2)cc1 ZINC000587012484 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587012491 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5nc(Br)sc5C5CC5)[nH]c4c3)o2)cc1 ZINC000587012507 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cnc4[nH]3)cs2)cc1 ZINC000587012511 JK Annotated Anodyne Clc1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587012516 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 ZINC000587012528 JK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1)C(F)(F)F ZINC000587012531 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1OC ZINC000587012541 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587012556 JK Annotated Anodyne Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4cc5c(cc4[nH]3)OCCCO5)s2)cc1 ZINC000587012557 JK Annotated Anodyne CCCc1sc(N)nc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587012560 JK Annotated Reactive FC(F)(F)c1cc(Cl)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587012570 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(C)s2)cc1 ZINC000587012584 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3sc(C)nc3C)[nH]c2cc1Br ZINC000587012605 JK Annotated Mild CCCCCOc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1Br ZINC000587012630 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)c(C)s2)cc1 ZINC000587012670 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012700 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012704 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012706 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012709 JK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012734 JK Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587012735 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012736 JK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012737 JK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012739 JK Annotated Anodyne N#Cc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012762 JK Annotated Mild N#Cc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012764 JK Annotated Mild N#Cc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012765 JK Annotated Mild N#Cc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012766 JK Annotated Mild Cc1c(Br)ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587012794 JK Annotated Anodyne COc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012811 JK Annotated Anodyne COc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012815 JK Annotated Anodyne COc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012816 JK Annotated Anodyne COc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012817 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587012831 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cs2)cc1 ZINC000587012864 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587012878 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587012880 JK Annotated Anodyne CCCCCOc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587012881 JK Annotated Anodyne Fc1cc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2cc1-n1cccn1 ZINC000587012896 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cs2)cc1 ZINC000587012911 JK Annotated Anodyne N#Cc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587012932 JK Annotated Mild Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587012939 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cs2)cc1 ZINC000587012953 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Br)cc4[nH]3)cs2)cc1 ZINC000587012957 JK Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 ZINC000587012980 JK Annotated Anodyne Fc1cc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2cc1C(F)(F)F ZINC000587012984 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)c(C)s2)cc1 ZINC000587012997 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(C)s2)cc1 ZINC000587013010 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 ZINC000587013026 JK Annotated Anodyne Fc1cc(Cl)cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 ZINC000587013029 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1 ZINC000587013031 JK Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587013110 JK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(-c3nc(-c4ccc(C)cc4)sc3C)nc2c1 ZINC000587013119 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587013133 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587013183 JK Annotated Anodyne CCCCOc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1Br ZINC000587013197 JK Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587013202 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccnc(Br)c4[nH]3)cs2)cc1 ZINC000587013232 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587013234 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cs2)cc1 ZINC000587013236 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587013244 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013253 JK Annotated Anodyne Brc1nc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C2CC2)s1 ZINC000587013256 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587013260 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)cs2)cc1 ZINC000587013261 JK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013272 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Br)ccnc4[nH]3)cs2)cc1 ZINC000587013290 JK Annotated Anodyne CCCCOc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587013291 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587013295 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587013314 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cs2)cc1 ZINC000587013327 JK Annotated Anodyne O=C1COc2cc3[nH]c(Cc4sc(-c5ccc(Cl)cc5)nc4-c4ccccc4)nc3cc2N1 ZINC000587013339 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(C)s2)cc1 ZINC000587013352 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(C)s2)cc1 ZINC000587013380 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587013392 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587013408 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013417 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(C)s2)cc1 ZINC000587013435 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cs2)cc1 ZINC000587013443 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc12 ZINC000587013449 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cs2)cc1 ZINC000587013472 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cs2)cc1 ZINC000587013477 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587013484 JK Annotated Anodyne CCCOc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587013485 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587013500 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587013507 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)cs2)cc1 ZINC000587013518 JK Annotated Mild Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587013572 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587013595 JK Annotated Anodyne Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)s2)cc1 ZINC000587013600 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1 ZINC000587013632 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1 ZINC000587013635 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587013637 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587013655 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587013657 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nc(N)sc3CCC)[nH]c2cc1Br ZINC000587013686 JK Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587013708 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(C)s2)cc1 ZINC000587013725 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587013746 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(I)cc2[nH]1 ZINC000587013750 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 ZINC000587013752 JK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc5ncccc5c4[nH]3)cs2)cc1 ZINC000587013782 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cn1 ZINC000587013783 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2cc1OC ZINC000587013814 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587013823 JK Annotated Anodyne Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4ccc5c(c4[nH]3)CCCC5)s2)cc1 ZINC000587013840 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587013841 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587013853 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587013872 JK Annotated Mild CSc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587013884 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587013896 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587013907 JK Annotated Bother CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587013912 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1C ZINC000587013918 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cs2)cc1 ZINC000587013930 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 ZINC000587013960 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587013976 JK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cs2)cc1 ZINC000587014004 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014008 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)cc1 ZINC000587014015 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014051 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014068 JK Annotated Anodyne COC(=O)c1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587014070 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014084 JK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cs2)c1Cl ZINC000587014089 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014091 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014093 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014102 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587014107 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(CCO)cc4[nH]3)cs2)cc1 ZINC000587014109 JK Annotated Anodyne COC(=O)c1cccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587014121 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)s1 ZINC000587014134 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)s1 ZINC000587014135 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587014155 JK Annotated Reactive CCO[C@H](C)c1nc(C)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587014163 JK Annotated Reactive CCO[C@@H](C)c1nc(C)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587014164 JK Annotated Reactive CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)s1 ZINC000587014166 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)s1 ZINC000587014167 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4csc(Cc5ccc(NC(=O)OC(C)(C)C)cc5)n4)[nH]c32)n1 ZINC000587014201 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)s1 ZINC000587014202 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)s1 ZINC000587014204 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587014208 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)cs1 ZINC000587014211 JK Annotated Anodyne CCCCOc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587014222 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cnc5ccccc5c4[nH]3)cs2)cc1 ZINC000587014223 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cs2)cc1 ZINC000587014239 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587014249 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cs2)cc1 ZINC000587014284 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014306 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Br)ccc(Br)c3[nH]2)cs1 ZINC000587014307 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014312 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587014318 JK Annotated Bother CCCCOc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014331 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587014437 JK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014444 JK Annotated Anodyne COC(=O)c1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587014464 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4csc(CNC(=O)OC(C)(C)C)n4)[nH]c3c2)cc1 ZINC000587014465 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587014482 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cs2)cc1 ZINC000587014494 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014512 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014520 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1 ZINC000587014531 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Cl ZINC000587014536 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587014549 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cs2)cc1 ZINC000587014555 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(C(C)(C)C)c4[nH]3)cs2)cc1 ZINC000587014588 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(I)c2[nH]1 ZINC000587014589 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587014601 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014606 JK Annotated Anodyne CCCCOc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014616 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014618 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs2)cc1 ZINC000587014627 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587014636 JK Annotated Anodyne CCCOc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587014645 JK Annotated Anodyne CCCOc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014674 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587014681 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587014683 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)cc1 ZINC000587014686 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587014689 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587014693 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1OC ZINC000587014697 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587014698 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cs2)cc1 ZINC000587014701 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1 ZINC000587014711 JK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cs2)c1Cl ZINC000587014717 JK Annotated Anodyne CCCOc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014735 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587014736 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014737 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)nc1-2 ZINC000587014758 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000587014777 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 ZINC000587014782 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cs1 ZINC000587014796 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014800 JK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014801 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cs2)cc1 ZINC000587014804 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)s1 ZINC000587014854 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)s1 ZINC000587014855 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587014883 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587014903 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587014925 JK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cccc(I)c4[nH]3)cs2)c1Cl ZINC000587014947 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587014974 JK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4ccc(I)cc4[nH]3)cs2)c1Cl ZINC000587014975 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587014985 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015008 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587015015 JK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)s1 ZINC000587015025 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)s1 ZINC000587015028 JK Annotated Anodyne CCCCCOc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587015030 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015053 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2cc1Br ZINC000587015054 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2cc1Br ZINC000587015056 JK Annotated Mild CC1=C(c2ccc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c3c2)NNC(=O)C1 ZINC000587015066 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(-c6ccc(Cl)cc6)nc5C)[nH]c4c3)o2)cc1 ZINC000587015090 JK Annotated Anodyne CCCCCOc1cc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2cc1Br ZINC000587015109 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015110 JK Annotated Bother CCCCCOc1cc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2cc1Br ZINC000587015112 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587015127 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587015130 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587015139 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 ZINC000587015193 JK Annotated Reactive CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587015196 JK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587015198 JK Annotated Anodyne CCCCOc1cc2nc(-c3csc(-c4ccc(CC)cc4)n3)[nH]c2cc1Br ZINC000587015202 JK Annotated Anodyne CCCOc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015207 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cccc(I)c4[nH]3)cs2)c1 ZINC000587015231 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1F ZINC000587015239 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(CC)cc4)n3)nc2c1 ZINC000587015261 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c21 ZINC000587015264 JK Annotated Clean CCc1ccc(-c2nc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015269 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015285 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(I)cc4[nH]3)cs2)c1 ZINC000587015286 JK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cs2)c1Cl ZINC000587015288 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc-2[nH]1 ZINC000587015295 JK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cc(I)cnc4[nH]3)cs2)c1Cl ZINC000587015298 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015303 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015306 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 ZINC000587015309 JK Annotated Reactive Clc1cccc(-c2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cs2)c1Cl ZINC000587015314 JK Annotated Anodyne CCCCOc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015315 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc(I)cnc4[nH]3)cs2)c1 ZINC000587015317 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cs2)c1 ZINC000587015364 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1F ZINC000587015393 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587015412 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cn1 ZINC000587015426 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015430 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587015441 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587015446 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587015448 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587015463 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587015469 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587015493 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587015497 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)nc-2[nH]1 ZINC000587015551 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cs2)c1 ZINC000587015563 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c21 ZINC000587015565 JK Annotated Clean CCCCCOc1cc2nc(-c3csc(-c4ccc(CC)cc4)n3)[nH]c2cc1Br ZINC000587015596 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cs2)cc1 ZINC000587015597 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015598 JK Annotated Bother Clc1cccc(-c2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cs2)c1Cl ZINC000587015607 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cs2)cc1 ZINC000587015609 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015611 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cs2)c1 ZINC000587015613 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Cl ZINC000587015616 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015633 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015643 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015657 JK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587015669 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587015677 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587015680 JK Annotated Anodyne CCCCOc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587015687 JK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cs2)cc1 ZINC000587015696 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587015701 JK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015756 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587015771 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587015774 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc1-2 ZINC000587015849 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015861 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015879 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c3c2)cc1 ZINC000587015915 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cs2)c1 ZINC000587015917 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1C ZINC000587015945 JK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cs2)c1 ZINC000587015948 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cs2)cc1 ZINC000587015958 JK Annotated Anodyne Brc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587015964 JK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587016006 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1Br ZINC000587016018 JK Annotated Mild CCc1ccc(-c2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587016026 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(-c6ccc(Cl)cc6)n5)[nH]c4c3)o2)cc1 ZINC000587016027 JK Annotated Anodyne CCCCOc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587016045 JK Annotated Anodyne COC(=O)c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587016056 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587016057 JK Annotated Anodyne CCCOc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587016104 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587016164 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)cs2)cc1 ZINC000587016167 JK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587016171 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc(-c5ccc(C)o5)n4)[nH]c3c2)cc1 ZINC000587016199 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587016209 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587016236 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587016256 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587016289 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587016295 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016335 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016336 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 ZINC000587016378 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)cs2)cc1 ZINC000587016388 JK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cs2)cc1 ZINC000587016398 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587016433 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587016472 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)cc1 ZINC000587016574 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587016590 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587016602 JK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)cs2)cc1 ZINC000587016619 JK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587016626 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(OCc5ccccc5)cc4[nH]3)cs2)s1 ZINC000587016635 JK Annotated Anodyne Clc1cc(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587016655 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4c(Br)ccnc4[nH]3)cs2)s1 ZINC000587016666 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587016682 JK Annotated Anodyne Brc1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1OCc1ccccc1 ZINC000587016713 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587016722 JK Annotated Anodyne Clc1ncc(Br)c2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587016752 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587016768 JK Annotated Anodyne Oc1c(Br)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587016790 JK Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1-n1cccn1 ZINC000587016801 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc(-c6ccco6)n5)[nH]c4c3)o2)cc1 ZINC000587016808 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587016814 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(-c6ncccc6Cl)n5)[nH]c4c3)o2)cc1 ZINC000587016825 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587016836 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 ZINC000587016843 JK Annotated Reactive COC(=O)c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587016845 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 ZINC000587016846 JK Annotated Reactive Cc1ccc(-c2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cs2)o1 ZINC000587016854 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587016856 JK Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1C(F)(F)F ZINC000587016865 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587016899 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016919 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016921 JK Annotated Anodyne Brc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1OCc1ccccc1 ZINC000587016927 JK Annotated Anodyne Brc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1OCc1ccccc1 ZINC000587016928 JK Annotated Anodyne CCCCOc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587016935 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c21 ZINC000587016950 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587016976 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587017049 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(Oc5ccccc5)cc4[nH]3)cs2)s1 ZINC000587017097 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587017124 JK Annotated Anodyne Brc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cn1 ZINC000587017138 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)cc1N ZINC000587017147 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017160 JK Annotated Reactive Clc1ncc(Br)c2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587017185 JK Annotated Anodyne Clc1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017207 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)cc1 ZINC000587017282 JK Annotated Clean FC(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587017310 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(-c6ccc7c(c6)CCO7)n5)[nH]c4c3)o2)cc1 ZINC000587017341 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587017347 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017368 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cs2)o1 ZINC000587017404 JK Annotated Anodyne Cc1nc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1Br ZINC000587017408 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(-c6ccc(C)o6)n5)[nH]c4c3)o2)cc1 ZINC000587017424 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587017443 JK Annotated Reactive Fc1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017447 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587017471 JK Annotated Anodyne FC1(F)Oc2cc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3cc2O1 ZINC000587017520 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017522 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587017542 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3csc(-c4ccc(Br)s4)n3)nc1-2 ZINC000587017552 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 ZINC000587017560 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cccc(OCc5ccccc5)c4[nH]3)cs2)s1 ZINC000587017582 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017596 JK Annotated Anodyne c1ccc2sc(-c3ccc4nc(Cc5csc(-c6ccc7c(c6)OCCO7)n5)[nH]c4c3)nc2c1 ZINC000587017597 JK Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1C ZINC000587017614 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017646 JK Annotated Mild Clc1cccnc1-c1nc(-c2nc3c(Br)ccc(Br)c3[nH]2)cs1 ZINC000587017660 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017681 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2[nH]1 ZINC000587017686 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl ZINC000587017697 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587017714 JK Annotated Anodyne Ic1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017736 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587017744 JK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cs2)o1 ZINC000587017757 JK Annotated Reactive CCCCCOc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587017852 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccnc(Br)c4[nH]3)cs2)s1 ZINC000587017854 JK Annotated Anodyne Cc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587017867 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017870 JK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)cs1 ZINC000587017873 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl ZINC000587017877 JK Annotated Bother FC(F)(F)Oc1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017878 JK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl ZINC000587017879 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017888 JK Annotated Anodyne c1ccc(Sc2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)cc1 ZINC000587017890 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017905 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017906 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017912 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587017929 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017944 JK Annotated Anodyne Fc1c(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1F ZINC000587017946 JK Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017953 JK Annotated Anodyne Brc1cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017954 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017970 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587018014 JK Annotated Bother COC(=O)c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587018024 JK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)cs1 ZINC000587018028 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587018049 JK Annotated Bother Brc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 ZINC000587018056 JK Annotated Anodyne CCCOc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587018105 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587018118 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3c2)cc1 ZINC000587018130 JK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3c(Br)cnc(Br)c3[nH]2)cs1 ZINC000587018138 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587018159 JK Annotated Anodyne c1ccc2sc(-c3ccc4nc(-c5csc(-c6ccc7c(c6)CCO7)n5)[nH]c4c3)nc2c1 ZINC000587018161 JK Annotated Anodyne Fc1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018162 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587018174 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587018175 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587018181 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587018183 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587018190 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cccc(Br)c4[nH]3)cs2)s1 ZINC000587018198 JK Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1Br ZINC000587018206 JK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1 ZINC000587018216 JK Annotated Anodyne Cc1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018237 JK Annotated Anodyne Fc1c(Br)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018247 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018252 JK Annotated Anodyne Fc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1Br ZINC000587018281 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cncc(Br)c4[nH]3)cs2)s1 ZINC000587018295 JK Annotated Anodyne N#Cc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1C(F)(F)F ZINC000587018302 JK Annotated Mild CCCCOc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587018307 JK Annotated Anodyne c1ccc2sc(-c3ccc4nc(-c5csc(Nc6cccc7ncccc67)n5)[nH]c4c3)nc2c1 ZINC000587018314 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587018315 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cn1 ZINC000587018316 JK Annotated Anodyne Brc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587018323 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018338 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Cl ZINC000587018350 JK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587018355 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1F ZINC000587018376 JK Annotated Anodyne c1ccc(Sc2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)cc1 ZINC000587018407 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587018413 JK Annotated Anodyne Cc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587018427 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(Br)c2[nH]1 ZINC000587018436 JK Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1OC ZINC000587018445 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587018454 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)ncc2[nH]1 ZINC000587018469 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cnc2[nH]1 ZINC000587018485 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587018495 JK Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587018504 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018508 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018523 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587018529 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587018536 JK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587018544 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587018545 JK Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587018549 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587018551 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Br)nc2[nH]1 ZINC000587018555 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587018563 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587018564 JK Annotated Anodyne c1ccc(COc2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)cc1 ZINC000587018568 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587018591 JK Annotated Anodyne COc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Cl ZINC000587018593 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587018600 JK Annotated Anodyne Cc1cc(Br)cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018603 JK Annotated Anodyne Cc1c(Br)cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1C ZINC000587018606 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587018610 JK Annotated Anodyne Cc1nc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2cc1Br ZINC000587018618 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587018695 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cn1 ZINC000587018704 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587018705 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587018710 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018716 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587018723 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018728 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Br)cc2[nH]1 ZINC000587018729 JK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Cl ZINC000587018735 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018736 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587018740 JK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587018748 JK Annotated Anodyne Fc1c(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1F ZINC000587018753 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587018756 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587018761 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018764 JK Annotated Anodyne CCOC(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018767 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587018776 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587018777 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587018778 JK Annotated Anodyne CC(C)Oc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018782 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018783 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587018785 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000587018789 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cs1 ZINC000587018794 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc12 ZINC000587018808 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587018809 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 ZINC000587018812 JK Annotated Reactive CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587018818 JK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018820 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)cc1 ZINC000587018822 JK Annotated Clean CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587018823 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587018824 JK Annotated Clean CCCOc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018837 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(Sc5ccccc5)cc4[nH]3)cs2)s1 ZINC000587018843 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1)c1cccs1 ZINC000587018846 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1)c1cccs1 ZINC000587018853 JK Annotated Anodyne CN(C)CCOc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018855 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587018859 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018861 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587018869 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Br)ccnc2[nH]1 ZINC000587018874 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1 ZINC000587018904 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587018910 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cs1 ZINC000587018911 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587018915 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587018924 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587018934 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1)c1cccs1 ZINC000587018939 JK Annotated Reactive CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587018943 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587018949 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587018959 JK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587018967 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018970 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000587018975 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587018981 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cs1 ZINC000587019000 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587019001 JK Annotated Bother O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1 ZINC000587019009 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Cl ZINC000587019010 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587019020 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587019021 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 ZINC000587019032 JK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587019033 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1)c1cccs1 ZINC000587019035 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587019042 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cncc(Br)c2[nH]1 ZINC000587019045 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587019054 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587019062 JK Annotated Anodyne Clc1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019068 JK Annotated Anodyne c1cnc2c(c1)c1nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c1c1cccnc12 ZINC000587019069 JK Annotated Bother CC(C)CCOc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587019147 JK Annotated Anodyne CCCOc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019155 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019165 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587019174 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587019175 JK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587019187 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccnc(Br)c2[nH]1 ZINC000587019193 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587019200 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587019203 JK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587019223 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587019226 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587019236 JK Annotated Anodyne CC1=C(c2ccc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c3c2)NNC(=O)C1 ZINC000587019249 JK Annotated Anodyne CC(C)Oc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587019256 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587019265 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587019266 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587019272 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587019273 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019285 JK Annotated Anodyne COC(=O)c1cc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2cc1OC ZINC000587019289 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587019313 JK Annotated Reactive O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587019329 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587019340 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587019350 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587019355 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019363 JK Annotated Bother Cc1c(Br)ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587019368 JK Annotated Anodyne c1ccc(COc2cccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c23)cc1 ZINC000587019371 JK Annotated Anodyne Cc1ccc2c(ccc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c32)n1 ZINC000587019372 JK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587019375 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cs1 ZINC000587019402 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cs1 ZINC000587019403 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cs1 ZINC000587019408 JK Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1C ZINC000587019412 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4csc(NC(=O)Nc5ccccc5)n4)[nH]c3c2)cc1N ZINC000587019420 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cs1 ZINC000587019450 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1 ZINC000587019455 JK Annotated Reactive O=C(Nc1nc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1)c1cccs1 ZINC000587019458 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1 ZINC000587019465 JK Annotated Anodyne CC(C)Oc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019485 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019505 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019525 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019529 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587019532 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1 ZINC000587019542 JK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587019553 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019574 JK Annotated Reactive Brc1ccc(-c2nc(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)cs2)s1 ZINC000587019601 JK Annotated Bother O=C(Nc1nc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cs1)c1cccs1 ZINC000587019631 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1 ZINC000587019646 JK Annotated Clean CCCOc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587019656 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cs1 ZINC000587019667 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cs1 ZINC000587019681 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587019793 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587019802 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cs1 ZINC000587019813 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587019819 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019830 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cs1 ZINC000587019833 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cs1 ZINC000587019836 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cs1)c1cccs1 ZINC000587019879 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587019891 JK Annotated Anodyne CCCOc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587019897 JK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cs1 ZINC000587019917 JK Annotated Bother CCCOc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587019918 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587019922 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)s1 ZINC000587019945 JK Annotated Bother Cc1csc(SCc2ccc(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)cc2)n1 ZINC000587019991 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)cc(Cl)cc4[nH]3)cc2)n1 ZINC000587019995 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cs1 ZINC000587019997 JK Annotated Clean Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cs1 ZINC000587020007 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cc1Br ZINC000587020021 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)n1 ZINC000587020037 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)n1 ZINC000587020039 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020041 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587020071 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cs1 ZINC000587020076 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cs1 ZINC000587020078 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020085 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020095 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587020103 JK Annotated Anodyne CC(C)Oc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587020114 JK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1)c1cccs1 ZINC000587020119 JK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)s1 ZINC000587020129 JK Annotated Bother CC(C)Oc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587020140 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1 ZINC000587020182 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)n1 ZINC000587020196 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cs1 ZINC000587020216 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cs1 ZINC000587020220 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cc1Br ZINC000587020241 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cs1 ZINC000587020254 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)cs1 ZINC000587020277 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cs1 ZINC000587020288 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)cc2)n1 ZINC000587020314 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)n1 ZINC000587020319 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cs1 ZINC000587020347 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)n1 ZINC000587020351 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cs1 ZINC000587020383 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020384 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cc1Br ZINC000587020386 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)n1 ZINC000587020417 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)cs1 ZINC000587020432 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2)n1 ZINC000587020441 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cc1Br ZINC000587020482 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)cs1 ZINC000587020497 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)cc2)n1 ZINC000587020503 JK Annotated Anodyne N#Cc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1C(F)(F)F ZINC000587020505 JK Annotated Mild Cc1csc(SCc2ccc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020523 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2c1 ZINC000587020542 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cs1 ZINC000587020547 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020559 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3c2)cc1 ZINC000587020589 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cs1 ZINC000587020594 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)n1 ZINC000587020603 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)n1 ZINC000587020640 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 ZINC000587020662 JK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cs1 ZINC000587020746 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cc1Br ZINC000587020748 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587020779 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cs1 ZINC000587020780 JK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)cs1 ZINC000587020782 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)n1 ZINC000587020785 JK Annotated Bother Cc1csc(SCc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)n1 ZINC000587020806 JK Annotated Bother Nc1nc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cs1 ZINC000587020810 JK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 ZINC000587020833 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3c2)cc1 ZINC000587020836 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(OCc6csc(C)n6)c5)[nH]c4c3)o2)cc1 ZINC000587020855 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020864 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587020913 JK Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)s2)cn1 ZINC000587020928 JK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587020989 JK Annotated Reactive Cc1csc(SCc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)n1 ZINC000587020991 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1Br ZINC000587020994 JK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 ZINC000587020995 JK Annotated Bother COC(=O)c1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587021091 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587021134 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021150 JK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cs1 ZINC000587021256 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587021269 JK Annotated Reactive Cc1csc(SCc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)n1 ZINC000587021275 JK Annotated Reactive Nc1nc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cs1 ZINC000587021322 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br ZINC000587021346 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]cc5-c5csc(C)n5)[nH]c4c3)o2)cc1 ZINC000587021452 JK Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587021460 JK Annotated Bother C[C@H](O)c1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587021464 JK Annotated Bother Nc1nc(-c2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)cs1 ZINC000587021484 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587021517 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(-c6csc(N)n6)c5)[nH]c4c3)o2)cc1 ZINC000587021545 JK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1 ZINC000587021548 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2)n1 ZINC000587021623 JK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cs1 ZINC000587021687 JK Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)s2)cn1 ZINC000587021691 JK Annotated Reactive CCCCCOc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587021707 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587021765 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(Cc6ccccc6)s5)[nH]c4c3)o2)cc1 ZINC000587021770 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021994 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Cl ZINC000587022091 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587022093 JK Annotated Mild Cc1csc(SCc2ccc(-c3nc4c(I)cccc4[nH]3)cc2)n1 ZINC000587022111 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587022178 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587022195 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 ZINC000587022335 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587022341 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587022351 JK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2)n1 ZINC000587022369 JK Annotated Clean Cc1csc(SCc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)n1 ZINC000587022429 JK Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587022453 JK Annotated Reactive C[C@H](O)c1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587022458 JK Annotated Reactive Nc1nc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cs1 ZINC000587022509 JK Annotated Anodyne Brc1cc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2cc1OCc1ccccc1 ZINC000587022600 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587022649 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br ZINC000587022681 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br ZINC000587022682 JK Annotated Mild COC(=O)c1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c(F)c1Nc1ccccc1 ZINC000587022871 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)s1 ZINC000587022926 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Br)c(Br)cc3[nH]2)s1 ZINC000587022999 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023006 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br ZINC000587023011 JK Annotated Mild O=C(O)c1cc2[nH]c(-c3cnc(Cl)s3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587023015 JK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 ZINC000587023026 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c(F)c1Nc1ccccc1 ZINC000587023047 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023070 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023248 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023249 JK Annotated Mild CCCOc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023251 JK Annotated Anodyne Brc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1OCc1ccccc1 ZINC000587023269 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 ZINC000587023283 JK Annotated Reactive CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)s1 ZINC000587023352 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)s1 ZINC000587023398 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)s1 ZINC000587023434 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)s1 ZINC000587023611 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)s1 ZINC000587023629 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023653 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)ccc(Br)c3[nH]2)s1 ZINC000587023670 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)s1 ZINC000587023673 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023701 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)s1 ZINC000587023714 JK Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023802 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 ZINC000587023836 JK Annotated Reactive CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)s1 ZINC000587024024 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 ZINC000587024207 JK Annotated Reactive O=C(CCc1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024267 JK Annotated Bother O=C(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024382 JK Annotated Reactive CCCCCOc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024401 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(-c5nccs5)s4)nc3c2)cc1 ZINC000587024429 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024542 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024546 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024547 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024548 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024905 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024962 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024965 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024967 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024968 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025139 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025140 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025141 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025142 JK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSCc3ccsc3)[nH]c12 ZINC000587025162 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587025183 JK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587025184 JK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587025186 JK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587025187 JK Annotated Mild Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587025205 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587025207 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587025208 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587025210 JK Annotated Clean N#Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C(F)(F)F ZINC000587025221 JK Annotated Mild N#Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C(F)(F)F ZINC000587025225 JK Annotated Mild N#Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C(F)(F)F ZINC000587025227 JK Annotated Mild N#Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C(F)(F)F ZINC000587025229 JK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587025482 JK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025487 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025490 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025491 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025500 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1Br ZINC000587025542 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1Br ZINC000587025543 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1Br ZINC000587025545 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1Br ZINC000587025547 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587025561 JK Annotated Mild O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025585 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025593 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025595 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(I)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025596 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025658 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025661 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025662 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025664 JK Annotated Anodyne O=C(CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025753 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 ZINC000587025764 JK Annotated Reactive O=C(CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025780 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025860 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025861 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025862 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025865 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025866 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025872 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025873 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025879 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587026002 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587026003 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587026004 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587026005 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026028 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026029 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026030 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026049 JK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587026071 JK Annotated Clean O=C(O)c1cc2[nH]c(/C=C\c3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587026075 JK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587026078 JK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587026092 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587026095 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587026099 JK Annotated Clean CCCCCCCCOc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587026100 JK Annotated Mild Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026114 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026119 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026122 JK Annotated Anodyne Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026125 JK Annotated Anodyne Brc1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1OCc1ccccc1 ZINC000587026151 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587026210 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587026212 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587026215 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587026218 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026222 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026231 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026232 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026233 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587026284 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000587026303 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000587026305 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H]2CCCC[C@H]21 ZINC000587026306 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000587026307 JK Annotated Anodyne Sc1nnc(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587026312 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026320 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026336 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026339 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026341 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587026518 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587026526 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587026546 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587026583 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026639 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587026640 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026641 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026645 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(I)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026648 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587026778 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587026801 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br ZINC000587026900 JK Annotated Mild Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1N ZINC000587026907 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1N ZINC000587026908 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1N ZINC000587026909 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1N ZINC000587026910 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026967 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026968 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026969 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026970 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026985 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026986 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026987 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026988 JK Annotated Bother Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587027109 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027120 JK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027124 JK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027125 JK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027128 JK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027167 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027168 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027170 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027171 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 ZINC000587027177 JK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587027178 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3scnc3C)[nH]c2cc1Br ZINC000587027179 JK Annotated Mild O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027181 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027184 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027186 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027187 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587027214 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587027242 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587027248 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1Br ZINC000587027261 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 ZINC000587027283 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587027284 JK Annotated Mild O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027505 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027506 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027507 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027510 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027520 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027524 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027526 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027527 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027545 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027548 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027550 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027551 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587027607 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587027618 JK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587027633 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5nc(-c6ccsc6)oc5C)[nH]c4c3)o2)cc1 ZINC000587027667 JK Annotated Anodyne Brc1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587027790 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027942 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027943 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027944 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027945 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027946 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027947 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027948 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027950 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027951 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027952 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027954 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027957 JK Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587027989 JK Annotated Anodyne Cc1ncsc1CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587028025 JK Annotated Bother CCCCCCCCOc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br ZINC000587028054 JK Annotated Mild O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028137 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028138 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028139 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028140 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028177 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028178 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028179 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028180 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1Br ZINC000587028365 JK Annotated Mild O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028393 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028394 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028395 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028396 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028412 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028413 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028414 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028415 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028445 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028450 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028452 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028454 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]cc5-c5scnc5C)[nH]c4c3)o2)cc1 ZINC000587028474 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028510 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028511 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028512 JK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587028599 JK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028679 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028701 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028702 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028703 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028704 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028711 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028712 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028713 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028714 JK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028731 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028732 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028733 JK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028734 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1C ZINC000587028739 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1C ZINC000587028740 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1C ZINC000587028741 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1C ZINC000587028742 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028743 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028744 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028745 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028746 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br ZINC000587028796 JK Annotated Mild O=C(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cscn1 ZINC000587028839 JK Annotated Reactive Cc1c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028857 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028878 JK Annotated Anodyne Cc1c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028896 JK Annotated Anodyne Brc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1OCc1ccccc1 ZINC000587028905 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587028913 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c(F)c1Nc1ccccc1 ZINC000587028923 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)cc1 ZINC000587028928 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587028937 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc12 ZINC000587028947 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028955 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc12 ZINC000587028970 JK Annotated Anodyne Cc1c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028985 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029010 JK Annotated Anodyne Cc1c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029018 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccccc5OCc5cscn5)[nH]c4c3)o2)cc1 ZINC000587029054 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029097 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 ZINC000587029165 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1C ZINC000587029185 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029202 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Br ZINC000587029274 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Br ZINC000587029283 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)cc1 ZINC000587029291 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029322 JK Annotated Anodyne Cc1c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029328 JK Annotated Anodyne Cc1c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029366 JK Annotated Anodyne Nc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)sc2cc(Br)ccc12 ZINC000587029387 JK Annotated Bother Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029458 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029541 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029618 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029643 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029647 JK Annotated Anodyne Cc1c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029688 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029738 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 ZINC000587029840 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Br ZINC000587029903 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029982 JK Annotated Anodyne Brc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Br ZINC000587029988 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Br ZINC000587030006 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Br ZINC000587030042 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587030043 JK Annotated Anodyne Nc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030056 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Br ZINC000587030084 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 ZINC000587030153 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 ZINC000587030154 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 ZINC000587030155 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 ZINC000587030156 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc(C)c3[nH]1)N2 ZINC000587030163 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc(C)c3[nH]1)N2 ZINC000587030164 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc(C)c3[nH]1)N2 ZINC000587030165 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc(C)c3[nH]1)N2 ZINC000587030166 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Cl)c(Br)cnc3[nH]1)N2 ZINC000587030174 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Cl)c(Br)cnc3[nH]1)N2 ZINC000587030175 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Cl)c(Br)cnc3[nH]1)N2 ZINC000587030176 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Cl)c(Br)cnc3[nH]1)N2 ZINC000587030177 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)c(F)c3[nH]1)N2 ZINC000587030179 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)c(F)c3[nH]1)N2 ZINC000587030180 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)c(F)c3[nH]1)N2 ZINC000587030181 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)c(F)c3[nH]1)N2 ZINC000587030182 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030188 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030189 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030190 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030191 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(I)cc3[nH]1)N2 ZINC000587030227 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(I)cc3[nH]1)N2 ZINC000587030229 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(I)cc3[nH]1)N2 ZINC000587030231 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(I)cc3[nH]1)N2 ZINC000587030232 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 ZINC000587030245 JK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 ZINC000587030247 JK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 ZINC000587030248 JK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)N2 ZINC000587030249 JK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(F)c(Br)c3[nH]1)N2 ZINC000587030256 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(F)c(Br)c3[nH]1)N2 ZINC000587030257 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(F)c(Br)c3[nH]1)N2 ZINC000587030259 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(F)c(Br)c3[nH]1)N2 ZINC000587030260 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)c21 ZINC000587030292 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)c21 ZINC000587030293 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)c21 ZINC000587030294 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)c21 ZINC000587030295 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)ncc(Br)c4[nH]3)c21 ZINC000587030300 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)ncc(Br)c4[nH]3)c21 ZINC000587030301 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(I)ccc4[nH]3)c21 ZINC000587030317 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(I)ccc4[nH]3)c21 ZINC000587030318 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 ZINC000587030340 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 ZINC000587030341 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(C)c(Br)cnc3[nH]1)N2 ZINC000587030388 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(C)c(Br)cnc3[nH]1)N2 ZINC000587030389 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(C)c(Br)cnc3[nH]1)N2 ZINC000587030390 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(C)c(Br)cnc3[nH]1)N2 ZINC000587030391 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(OC(F)(F)F)c3[nH]1)N2 ZINC000587030404 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(OC(F)(F)F)c3[nH]1)N2 ZINC000587030405 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(OC(F)(F)F)c3[nH]1)N2 ZINC000587030406 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(OC(F)(F)F)c3[nH]1)N2 ZINC000587030407 JK Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)sc2cc(Br)ccc12 ZINC000587030439 JK Annotated Anodyne Nc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)sc2cc(Br)ccc12 ZINC000587030440 JK Annotated Clean Nc1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030442 JK Annotated Anodyne Nc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)sc2cc(Br)ccc12 ZINC000587030443 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(OCc4ccccc4)c3[nH]1)N2 ZINC000587030449 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(OCc4ccccc4)c3[nH]1)N2 ZINC000587030450 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(OCc4ccccc4)c3[nH]1)N2 ZINC000587030451 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(OCc4ccccc4)c3[nH]1)N2 ZINC000587030452 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)c21 ZINC000587030473 JK Annotated Reactive C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)c21 ZINC000587030474 JK Annotated Reactive C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)c21 ZINC000587030497 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)c21 ZINC000587030498 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)c21 ZINC000587030503 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)c21 ZINC000587030504 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c21 ZINC000587030524 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c21 ZINC000587030525 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(Br)cc4[nH]3)c21 ZINC000587030536 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(Br)cc4[nH]3)c21 ZINC000587030537 JK Annotated Anodyne CC(C)COc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587030550 JK Annotated Anodyne Nc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030555 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587030563 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587030564 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030593 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030594 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030595 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030596 JK Annotated Anodyne Nc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030644 JK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(I)c3[nH]1)N2 ZINC000587030645 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(I)c3[nH]1)N2 ZINC000587030646 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(I)c3[nH]1)N2 ZINC000587030647 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(I)c3[nH]1)N2 ZINC000587030648 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)c21 ZINC000587030666 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)c21 ZINC000587030667 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)c21 ZINC000587030688 JK Annotated Bother C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)c21 ZINC000587030689 JK Annotated Bother Nc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030722 JK Annotated Anodyne Nc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030724 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Oc4ccccc4)cc3[nH]1)N2 ZINC000587030741 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Oc4ccccc4)cc3[nH]1)N2 ZINC000587030742 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Oc4ccccc4)cc3[nH]1)N2 ZINC000587030743 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Oc4ccccc4)cc3[nH]1)N2 ZINC000587030744 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)ncc(I)c4[nH]3)c21 ZINC000587030748 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)N2 ZINC000587030749 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)N2 ZINC000587030750 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)N2 ZINC000587030751 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)N2 ZINC000587030752 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)ncc(I)c4[nH]3)c21 ZINC000587030754 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc(Cl)c3[nH]1)N2 ZINC000587030760 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc(Cl)c3[nH]1)N2 ZINC000587030763 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc(Cl)c3[nH]1)N2 ZINC000587030764 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc(Cl)c3[nH]1)N2 ZINC000587030765 JK Annotated Anodyne Nc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030767 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 ZINC000587030800 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 ZINC000587030802 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)c(C)c(C)c3[nH]1)N2 ZINC000587030812 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)c(C)c(C)c3[nH]1)N2 ZINC000587030813 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)c(C)c(C)c3[nH]1)N2 ZINC000587030814 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)c(C)c(C)c3[nH]1)N2 ZINC000587030815 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587030834 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)c21 ZINC000587030860 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)c21 ZINC000587030861 JK Annotated Anodyne Nc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030885 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 ZINC000587030888 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 ZINC000587030891 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 ZINC000587030892 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 ZINC000587030894 JK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)c21 ZINC000587030922 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)c21 ZINC000587030924 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)c21 ZINC000587030935 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3c2)cc1 ZINC000587030936 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)c21 ZINC000587030937 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)c21 ZINC000587030939 JK Annotated Clean C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)c21 ZINC000587030943 JK Annotated Clean CCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587030976 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587030979 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587030991 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587030993 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)N2 ZINC000587031002 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)N2 ZINC000587031005 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)N2 ZINC000587031007 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)N2 ZINC000587031008 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3c2)cc1N ZINC000587031012 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)N2 ZINC000587031019 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)N2 ZINC000587031022 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)N2 ZINC000587031024 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)N2 ZINC000587031025 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(OC(F)(F)F)cc3[nH]1)N2 ZINC000587031037 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(OC(F)(F)F)cc3[nH]1)N2 ZINC000587031039 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(OC(F)(F)F)cc3[nH]1)N2 ZINC000587031041 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(OC(F)(F)F)cc3[nH]1)N2 ZINC000587031042 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(-n4cccn4)c(F)cc3[nH]1)N2 ZINC000587031053 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(-n4cccn4)c(F)cc3[nH]1)N2 ZINC000587031066 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(-n4cccn4)c(F)cc3[nH]1)N2 ZINC000587031068 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(-n4cccn4)c(F)cc3[nH]1)N2 ZINC000587031070 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)N2 ZINC000587031094 JK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)N2 ZINC000587031098 JK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)N2 ZINC000587031100 JK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)N2 ZINC000587031101 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(I)cc4[nH]3)c2C1 ZINC000587031110 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(I)cccc4[nH]3)c21 ZINC000587031150 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(I)cccc4[nH]3)c21 ZINC000587031153 JK Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031157 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)c(O)c4[nH]3)c2C1 ZINC000587031164 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)N2 ZINC000587031206 JK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)N2 ZINC000587031209 JK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)N2 ZINC000587031210 JK Annotated Clean C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)c21 ZINC000587031211 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)N2 ZINC000587031212 JK Annotated Clean C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)c21 ZINC000587031213 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3c2)cc1 ZINC000587031230 JK Annotated Clean CC(C)CCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587031232 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587031233 JK Annotated Anodyne Nc1c(-c2nc3ccc(I)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031313 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc(F)c4[nH]3)c2C1 ZINC000587031319 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2C1 ZINC000587031335 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2C1 ZINC000587031350 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)c(O)c3[nH]1)N2 ZINC000587031360 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)c(O)c3[nH]1)N2 ZINC000587031362 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)c(O)c3[nH]1)N2 ZINC000587031364 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)c(O)c3[nH]1)N2 ZINC000587031366 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2C1 ZINC000587031374 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)cc(Br)c3[nH]1)N2 ZINC000587031380 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)cc(Br)c3[nH]1)N2 ZINC000587031381 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)cc(Br)c3[nH]1)N2 ZINC000587031384 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)cc(Br)c3[nH]1)N2 ZINC000587031387 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2C1 ZINC000587031393 JK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)ccc(Br)c4[nH]3)c21 ZINC000587031422 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)ccc(Br)c4[nH]3)c21 ZINC000587031425 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2C1 ZINC000587031427 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Sc4ccccc4)cc3[nH]1)N2 ZINC000587031444 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)c(F)cc4[nH]3)c2C1 ZINC000587031447 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Sc4ccccc4)cc3[nH]1)N2 ZINC000587031462 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Sc4ccccc4)cc3[nH]1)N2 ZINC000587031466 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Sc4ccccc4)cc3[nH]1)N2 ZINC000587031469 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2C1 ZINC000587031473 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(F)cc(Br)c4[nH]3)c2C1 ZINC000587031500 JK Annotated Anodyne Nc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031504 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2C1 ZINC000587031508 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2C1 ZINC000587031517 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(SC(F)(F)F)cc3[nH]1)N2 ZINC000587031535 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(SC(F)(F)F)cc3[nH]1)N2 ZINC000587031537 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(SC(F)(F)F)cc3[nH]1)N2 ZINC000587031538 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(SC(F)(F)F)cc3[nH]1)N2 ZINC000587031540 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2C1 ZINC000587031544 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587031545 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587031547 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587031561 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)c21 ZINC000587031562 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)c21 ZINC000587031564 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)c21 ZINC000587031569 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)c21 ZINC000587031573 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)N2 ZINC000587031585 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)N2 ZINC000587031590 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)N2 ZINC000587031593 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2C1 ZINC000587031594 JK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)N2 ZINC000587031596 JK Annotated Anodyne Cc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587031618 JK Annotated Anodyne Cc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587031620 JK Annotated Anodyne Cc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587031622 JK Annotated Anodyne Cc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587031623 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587031627 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)c(F)c4[nH]3)c2C1 ZINC000587031656 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc(F)c3[nH]1)N2 ZINC000587031663 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc(F)c3[nH]1)N2 ZINC000587031665 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc(F)c3[nH]1)N2 ZINC000587031667 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc(F)c3[nH]1)N2 ZINC000587031669 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587031671 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587031673 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587031674 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(F)c(Br)c4[nH]3)c2C1 ZINC000587031675 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587031676 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 ZINC000587031698 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 ZINC000587031700 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 ZINC000587031703 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 ZINC000587031704 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)N2 ZINC000587031705 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)N2 ZINC000587031708 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)N2 ZINC000587031712 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)N2 ZINC000587031716 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)N2 ZINC000587031741 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)N2 ZINC000587031744 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)N2 ZINC000587031746 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)N2 ZINC000587031748 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc(C(=O)O)c3[nH]1)N2 ZINC000587031755 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc(C(=O)O)c3[nH]1)N2 ZINC000587031756 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc(C(=O)O)c3[nH]1)N2 ZINC000587031759 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc(C(=O)O)c3[nH]1)N2 ZINC000587031762 JK Annotated Anodyne Nc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)sc2cc(Br)ccc12 ZINC000587031765 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(I)cc4[nH]3)c21 ZINC000587031783 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(I)cc4[nH]3)c21 ZINC000587031792 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587031805 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587031808 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587031809 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587031811 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)c21 ZINC000587031826 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)c21 ZINC000587031828 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2C1 ZINC000587031916 JK Annotated Bother Nc1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031926 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2C1 ZINC000587031928 JK Annotated Reactive FC(F)(F)c1c(Br)ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587032007 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587032024 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587032025 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587032026 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587032034 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587032050 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)c21 ZINC000587032072 JK Annotated Bother C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)c21 ZINC000587032073 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587032112 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587032119 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587032120 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)N2 ZINC000587032122 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2C1 ZINC000587032124 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1C ZINC000587032134 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)c(C)c3[nH]1)N2 ZINC000587032142 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)c(C)c3[nH]1)N2 ZINC000587032145 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2C1 ZINC000587032146 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)c(C)c3[nH]1)N2 ZINC000587032147 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)c(C)c3[nH]1)N2 ZINC000587032149 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2C1 ZINC000587032163 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br ZINC000587032165 JK Annotated Mild Nc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)sc2cc(Br)ccc12 ZINC000587032171 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 ZINC000587032193 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587032223 JK Annotated Anodyne Oc1ccc2scc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2c1 ZINC000587032261 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587032299 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2C1 ZINC000587032304 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587032370 JK Annotated Anodyne Brc1ncc(Br)c2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587032394 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2C1 ZINC000587032430 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(I)c4[nH]3)c2C1 ZINC000587032437 JK Annotated Anodyne Nc1c(-c2nc3cccc(I)c3[nH]2)sc2cc(Br)ccc12 ZINC000587032460 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 ZINC000587032479 JK Annotated Reactive CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2C1 ZINC000587032536 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(OCc4ccccc4)cc3[nH]1)N2 ZINC000587032541 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(OCc4ccccc4)cc3[nH]1)N2 ZINC000587032543 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c(F)c1Nc1ccccc1 ZINC000587032545 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(OCc4ccccc4)cc3[nH]1)N2 ZINC000587032546 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(OCc4ccccc4)cc3[nH]1)N2 ZINC000587032547 JK Annotated Anodyne CCCCOc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587032550 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587032551 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)c(F)c(F)c3[nH]1)N2 ZINC000587032577 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)c(F)c(F)c3[nH]1)N2 ZINC000587032579 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)c(F)c(F)c3[nH]1)N2 ZINC000587032580 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)c(F)c(F)c3[nH]1)N2 ZINC000587032581 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 ZINC000587032591 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2C1 ZINC000587032597 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587032621 JK Annotated Anodyne CCCOc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587032626 JK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)c21 ZINC000587032632 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2C1 ZINC000587032634 JK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)c21 ZINC000587032638 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)cc1 ZINC000587032641 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2C1 ZINC000587032644 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Br)cnc(Cl)c3[nH]1)N2 ZINC000587032648 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Br)cnc(Cl)c3[nH]1)N2 ZINC000587032649 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Br)cnc(Cl)c3[nH]1)N2 ZINC000587032650 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Br)cnc(Cl)c3[nH]1)N2 ZINC000587032651 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587032658 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587032660 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 ZINC000587032662 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 ZINC000587032663 JK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587032734 JK Annotated Mild CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587032737 JK Annotated Mild C[C@@H]1CCc2sc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2C1 ZINC000587032840 JK Annotated Reactive C[C@H]1CCc2sc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2C1 ZINC000587032841 JK Annotated Reactive CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(C)(C)C)c4[nH]3)ccc2s1 ZINC000587032866 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 ZINC000587032883 JK Annotated Anodyne CCCOc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587032922 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 ZINC000587032945 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 ZINC000587032948 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 ZINC000587032950 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 ZINC000587032952 JK Annotated Bother Brc1ccc(Br)c2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587032985 JK Annotated Anodyne Nc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587032990 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)N2 ZINC000587033016 JK Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033017 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)N2 ZINC000587033018 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)N2 ZINC000587033020 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)N2 ZINC000587033022 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033024 JK Annotated Anodyne Oc1ccc2scc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2c1 ZINC000587033053 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br ZINC000587033068 JK Annotated Mild FC(F)(F)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587033081 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 ZINC000587033105 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 ZINC000587033106 JK Annotated Anodyne Nc1c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587033274 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)c(F)cc3[nH]1)N2 ZINC000587033295 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)c(F)cc3[nH]1)N2 ZINC000587033296 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)c(F)cc3[nH]1)N2 ZINC000587033297 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)c(F)cc3[nH]1)N2 ZINC000587033298 JK Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587033300 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)cc(Br)c3[nH]1)N2 ZINC000587033307 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)cc(Br)c3[nH]1)N2 ZINC000587033308 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)cc(Br)c3[nH]1)N2 ZINC000587033309 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)cc(Br)c3[nH]1)N2 ZINC000587033311 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 ZINC000587033331 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 ZINC000587033332 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 ZINC000587033333 JK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 ZINC000587033334 JK Annotated Bother Brc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1Br ZINC000587033409 JK Annotated Anodyne Brc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1OCc1ccccc1 ZINC000587033519 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587033575 JK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C#N)cc(Br)c3[nH]1)N2 ZINC000587033623 JK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C#N)cc(Br)c3[nH]1)N2 ZINC000587033624 JK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C#N)cc(Br)c3[nH]1)N2 ZINC000587033625 JK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C#N)cc(Br)c3[nH]1)N2 ZINC000587033626 JK Annotated Mild Cc1nc2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1Br ZINC000587033686 JK Annotated Anodyne Cc1nc2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1Br ZINC000587033688 JK Annotated Anodyne Cc1nc2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1Br ZINC000587033690 JK Annotated Anodyne Cc1nc2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1Br ZINC000587033692 JK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc2C1 ZINC000587033718 JK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc2C1 ZINC000587033719 JK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587033763 JK Annotated Bother CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587033765 JK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(C)(C)C)cc4[nH]3)ccc2s1 ZINC000587033780 JK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587033848 JK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587033849 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)ccc2s1 ZINC000587033904 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587033920 JK Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2C1 ZINC000587034009 JK Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2C1 ZINC000587034078 JK Annotated Clean O=[N+]([O-])c1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Sc1nc2ccccc2s1 ZINC000587034096 JK Annotated Bother C[C@@H]1CCc2sc(-c3nc4cc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)ccc4[nH]3)cc2C1 ZINC000587034173 JK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)ccc4[nH]3)cc2C1 ZINC000587034174 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br ZINC000587034175 JK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br ZINC000587034176 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 ZINC000587034206 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 ZINC000587034207 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)ccc2s1 ZINC000587034260 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)ncc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034368 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034371 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034423 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034431 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034486 JK Annotated Bother CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587034558 JK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587034559 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2C1 ZINC000587034581 JK Annotated Bother CC(C)CCOc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587034707 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)c(Cl)cc4[nH]3)ccc2s1 ZINC000587034748 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Cl)c(C)c4[nH]3)ccc2s1 ZINC000587034762 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587034803 JK Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034925 JK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587034929 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034930 JK Annotated Bother Cc1c(Br)cnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 ZINC000587034935 JK Annotated Bother Cc1c(Cl)ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587034945 JK Annotated Bother CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587034972 JK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587034973 JK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587034993 JK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587034994 JK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587034996 JK Annotated Bother CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587034997 JK Annotated Bother CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587035009 JK Annotated Bother CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587035010 JK Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2C1 ZINC000587035023 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)c(Cl)cc4[nH]3)ccc2s1 ZINC000587035042 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)cc(Cl)c4[nH]3)ccc2s1 ZINC000587035095 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc2s1 ZINC000587035102 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587035207 JK Annotated Mild O=[N+]([O-])c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035224 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035237 JK Annotated Bother CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587035300 JK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587035302 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(OC(F)(F)F)c4[nH]3)ccc2s1 ZINC000587035309 JK Annotated Anodyne O=C(NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035321 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035347 JK Annotated Bother Cc1nc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2cc1Br ZINC000587035350 JK Annotated Bother Cc1cc(Br)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587035377 JK Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2C1 ZINC000587035469 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2C1 ZINC000587035555 JK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)cc(C)c4[nH]3)ccc2s1 ZINC000587035587 JK Annotated Anodyne O=C(NCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035611 JK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(F)(F)F)c4[nH]3)ccc2s1 ZINC000587035625 JK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587035747 JK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587035748 JK Annotated Anodyne CCCCCOc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587035753 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035770 JK Annotated Bother Cc1c(Br)ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587035810 JK Annotated Bother Cc1cc(Cl)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587035817 JK Annotated Bother Cc1cc(Br)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587035825 JK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587035878 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587035879 JK Annotated Reactive Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587035908 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cccc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036066 JK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036439 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036440 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036485 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036486 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587036623 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587036624 JK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 ZINC000587036680 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 ZINC000587036681 JK Annotated Reactive Brc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1OCc1ccccc1 ZINC000587036763 JK Annotated Anodyne Brc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1OCc1ccccc1 ZINC000587036764 JK Annotated Anodyne O=C(O)c1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587036769 JK Annotated Bother O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036797 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036798 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4ccccc4cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036822 JK Annotated Bother N#Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F ZINC000587036898 JK Annotated Mild COC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587036933 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036939 JK Annotated Bother COC(=O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587036955 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036981 JK Annotated Bother CCCCCCCCOc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587036982 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587036984 JK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587037022 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587037028 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)c[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587037051 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)c[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587037053 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OCO7)cc4)nc(O)c23)C1 ZINC000587037054 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OCO7)cc4)nc(O)c23)C1 ZINC000587037057 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037060 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037062 JK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037094 JK Annotated Bother N[C@H](N=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037098 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)c(F)cc5[nH]4)c23)cc1 ZINC000587037108 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C(C)(C)C)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037111 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C(C)(C)C)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037121 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037150 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037160 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(F)c(F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037161 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(F)c(F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037165 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc12 ZINC000587037172 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc12 ZINC000587037179 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc6c(cc5[nH]4)NC(=O)CC6)c23)cc1 ZINC000587037184 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)CCC(=O)N7)cc4)nc(O)c23)C1 ZINC000587037192 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037194 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)CCC(=O)N7)cc4)nc(O)c23)C1 ZINC000587037196 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Sc1nc2ccccc2s1 ZINC000587037201 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)cnc5[nH]4)c23)cc1 ZINC000587037203 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc6c(cc5[nH]4)OC(F)(F)O6)c23)cc1 ZINC000587037208 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Cl)c(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037210 JK Annotated Anodyne N#Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1C#N ZINC000587037211 JK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Cl)c(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037215 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(S)nc(S)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037216 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(S)nc(S)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037220 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)cc(C(=O)O)c5[nH]4)c23)cc1 ZINC000587037223 JK Annotated Anodyne COc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1Cl ZINC000587037226 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccnc(Br)c5[nH]4)c23)cc1 ZINC000587037238 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(OC(F)(F)F)cc5[nH]4)c23)cc1 ZINC000587037262 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C#N)nc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037263 JK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C#N)nc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037265 JK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5c(F)cnc(Br)c5[nH]4)c23)cc1 ZINC000587037272 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037282 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037283 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c6ccccc6c6ccccc6c5[nH]4)c23)cc1 ZINC000587037290 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C(F)(F)F)ncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037300 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C(F)(F)F)ncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037301 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)cc(Br)c5[nH]4)c23)cc1 ZINC000587037302 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037324 JK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587037333 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587037335 JK Annotated Anodyne O=C1CCc2cc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3cc2N1 ZINC000587037345 JK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587037351 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587037352 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OCCO7)cc4)nc(O)c23)C1 ZINC000587037379 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OCCO7)cc4)nc(O)c23)C1 ZINC000587037389 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc12 ZINC000587037391 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc12 ZINC000587037402 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037404 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037407 JK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037410 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037419 JK Annotated Bother O=C1COc2cc3[nH]c(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)nc3cc2N1 ZINC000587037435 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037436 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037438 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(S(=O)(=O)N(C)C)c5[nH]4)c23)cc1 ZINC000587037448 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(OC(F)(F)F)c5[nH]4)c23)cc1 ZINC000587037456 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037457 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037458 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587037459 JK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037460 JK Annotated Anodyne Brc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1OCc1ccccc1 ZINC000587037470 JK Annotated Anodyne Brc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1OCc1ccccc1 ZINC000587037471 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037483 JK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037486 JK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)c(O)c5[nH]4)c23)cc1 ZINC000587037533 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(=O)O)c(F)cc5[nH]4)c23)cc1 ZINC000587037540 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)nc(Cl)c5[nH]4)c23)cc1 ZINC000587037544 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(Br)ccnc5[nH]4)c23)cc1 ZINC000587037552 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037555 JK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037557 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037558 JK Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)nc12 ZINC000587037561 JK Annotated Mild C=CCc1cccc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)nc12 ZINC000587037566 JK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(-c6ccc(N)c(N)c6)cc5[nH]4)c23)cc1 ZINC000587037567 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037577 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037578 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037580 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037581 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037591 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037592 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037594 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037595 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037597 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037598 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OCCCO7)cc4)nc(O)c23)C1 ZINC000587037600 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OCCCO7)cc4)nc(O)c23)C1 ZINC000587037601 JK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587037630 JK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc12 ZINC000587037636 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc12 ZINC000587037637 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037645 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5c(F)c(F)c(F)c(F)c5[nH]4)c23)cc1 ZINC000587037658 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3ncnc4scc(-c5ccc(C)cc5)c34)nc2c1 ZINC000587037670 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc6c(cc5[nH]4)OCCCO6)c23)cc1 ZINC000587037672 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(C)(C)C)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037684 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(C)(C)C)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037687 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037704 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037723 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)cc(C(F)(F)F)c5[nH]4)c23)cc1 ZINC000587037726 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(S)nc(S)nc5[nH]4)c23)cc1 ZINC000587037727 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 ZINC000587037731 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037740 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037741 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037743 JK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc12 ZINC000587037761 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc12 ZINC000587037762 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037763 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(OCc6ccccc6)c5[nH]4)c23)cc1 ZINC000587037766 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cnc4ccccc4c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037768 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)c(F)c5[nH]4)c23)cc1 ZINC000587037773 JK Annotated Anodyne CC1=C(c2ccc3nc(CSc4ncnc5scc(-c6ccc(C)cc6)c45)[nH]c3c2)NNC(=O)C1 ZINC000587037774 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587037775 JK Annotated Anodyne CCCCOc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587037779 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc(F)c5[nH]4)c23)cc1 ZINC000587037790 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037828 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C#N)cc(Br)c5[nH]4)c23)cc1 ZINC000587037868 JK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5ccc6nc(C)ccc6c5[nH]4)c23)cc1 ZINC000587037889 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037893 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037894 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037900 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037901 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037906 JK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037907 JK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(C)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037913 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(C)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037914 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587037930 JK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc12 ZINC000587037979 JK Annotated Reactive Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc12 ZINC000587037986 JK Annotated Reactive COC(=O)c1ccnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 ZINC000587037990 JK Annotated Bother O=C(O)c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587037992 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038007 JK Annotated Bother CC(C)Oc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587038024 JK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc12 ZINC000587038028 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc12 ZINC000587038029 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038035 JK Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587038039 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587038050 JK Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587038063 JK Annotated Anodyne COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587038095 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038115 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038116 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)c(Cl)cc5[nH]4)c23)cc1 ZINC000587038117 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C(=O)OC)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038119 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C(=O)OC)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038120 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(N)c(N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038122 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(N)c(N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038123 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)nc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038124 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)nc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038125 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)c(F)cc5[nH]4)c23)cc1 ZINC000587038126 JK Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587038133 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)c(Br)cc5[nH]4)c23)cc1 ZINC000587038136 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038142 JK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038143 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038149 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038150 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)c(C)nc5[nH]4)c23)cc1 ZINC000587038154 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)c23)cc1 ZINC000587038161 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)N(C)C)cc5[nH]4)c23)cc1 ZINC000587038181 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038191 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038193 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)c(Cl)nc5[nH]4)c23)cc1 ZINC000587038195 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc6nc7ccccc7nc6cc5[nH]4)c23)cc1 ZINC000587038196 JK Annotated Bother CCCCCOc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587038198 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)c23)cc1 ZINC000587038217 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc6c(cc5[nH]4)OCC(=O)N6)c23)cc1 ZINC000587038249 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccc1Sc1nc2ccccc2s1 ZINC000587038318 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038324 JK Annotated Bother O=C(O)c1cc(F)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587038333 JK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc12 ZINC000587038338 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc12 ZINC000587038339 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038367 JK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc12 ZINC000587038370 JK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc12 ZINC000587038371 JK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] ZINC000587038376 JK Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587038397 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc4ncccc4c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038408 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Sc1nc2ccccc2s1 ZINC000587038412 JK Annotated Bother Cc1ccc2c(ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c32)n1 ZINC000587038431 JK Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587038445 JK Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCCCCCCCC)c(Br)cc3[nH]2)C1=O ZINC000587038498 JK Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OCCCCCCCC)c(Br)cc3[nH]2)C1=O ZINC000587038499 JK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5c(Cl)c(Cl)cnc5[nH]4)c23)cc1 ZINC000587038523 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)c(F)c(F)c5[nH]4)c23)cc1 ZINC000587038524 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7c(ccc6[nH]5)CCCC7)cc4)nc(O)c23)C1 ZINC000587038540 JK Annotated Anodyne Brc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587038543 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7c(ccc6[nH]5)CCCC7)cc4)nc(O)c23)C1 ZINC000587038544 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038563 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038564 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)c(C)c5[nH]4)c23)cc1 ZINC000587038566 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038567 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038568 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000587038596 JK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000587038599 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)c23)cc1 ZINC000587038600 JK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C#N)c(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038603 JK Annotated Mild CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C#N)c(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038613 JK Annotated Mild CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7[nH]ncc7cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038622 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587038638 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7[nH]ncc7cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038642 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c(F)c1Nc1ccccc1 ZINC000587038646 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587038648 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)nc5[nH]4)c23)cc1 ZINC000587038652 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587038661 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(CN6CCOCC6)cc5[nH]4)c23)cc1 ZINC000587038671 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(F)c(Br)c5[nH]4)c23)cc1 ZINC000587038692 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c6cccnc6c6ncccc6c5[nH]4)c23)cc1 ZINC000587038695 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)c23)cc1 ZINC000587038698 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587038703 JK Annotated Anodyne Cc1c(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1C ZINC000587038705 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038727 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038731 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)ccc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038735 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)ccc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038739 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038744 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038745 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038752 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038753 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038754 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038755 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587038756 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(OC)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038763 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(OC)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038770 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038791 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038792 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587038811 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)cc(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038814 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)cc(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038817 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587038819 JK Annotated Anodyne Fc1c(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1F ZINC000587038826 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(SC(F)(F)F)cc5[nH]4)c23)cc1 ZINC000587038830 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587038834 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038845 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038883 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Sc1nc2ccccc2s1 ZINC000587038932 JK Annotated Bother COC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1OC ZINC000587038972 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038984 JK Annotated Bother CC(C)COc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587039046 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)cc1 ZINC000587039099 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587039189 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587039202 JK Annotated Reactive c1ccc2c(c1)Sc1ccccc1N2CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587039225 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587039244 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(C(=O)OC)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587039246 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(C(=O)OC)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587039247 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039250 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039251 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C)nc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587039254 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C)nc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587039256 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587039260 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(C(F)(F)F)c5[nH]4)c23)cc1 ZINC000587039261 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587039262 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587039263 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587039265 JK Annotated Anodyne COC(=O)c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587039269 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587039284 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587039285 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587039286 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(=O)O)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039287 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(=O)O)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039288 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039297 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039300 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(cnc7ccccc76)[nH]5)cc4)nc(O)c23)C1 ZINC000587039301 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(cnc7ccccc76)[nH]5)cc4)nc(O)c23)C1 ZINC000587039304 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)N(C)C)cc5[nH]4)c23)cc1 ZINC000587039305 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C#N)c(C(F)(F)F)cc5[nH]4)c23)cc1 ZINC000587039306 JK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(ccc7ncccc76)[nH]5)cc4)nc(O)c23)C1 ZINC000587039321 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(ccc7ncccc76)[nH]5)cc4)nc(O)c23)C1 ZINC000587039323 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)c(C)c(C)c5[nH]4)c23)cc1 ZINC000587039329 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039335 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039337 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587039345 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039359 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039364 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587039366 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Sc6ccccc6)cc5[nH]4)c23)cc1 ZINC000587039394 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Cl ZINC000587039400 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039438 JK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039452 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)c23)cc1 ZINC000587039453 JK Annotated Bother Oc1nc(NCc2ccccc2)c2nc(CCN3c4ccccc4Sc4ccccc43)nc-2[nH]1 ZINC000587039455 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587039464 JK Annotated Anodyne CCCCOc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587039466 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587039486 JK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)ncc5[nH]4)c23)cc1 ZINC000587039488 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(C)c(Br)cnc5[nH]4)c23)cc1 ZINC000587039501 JK Annotated Anodyne COC(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1OC ZINC000587039503 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5nc(Br)c[nH]c-5n4)c23)cc1 ZINC000587039517 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CSCN5C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587039535 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(Cl)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039544 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(Cl)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039548 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587039589 JK Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587039596 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039602 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039603 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587039612 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5[nH]c(Cl)nc(C(F)(F)F)c-5n4)c23)cc1 ZINC000587039627 JK Annotated Anodyne CC(C)COc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587039637 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)cc(Br)c5[nH]4)c23)cc1 ZINC000587039641 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039644 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039645 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039649 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncnc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587039661 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587039677 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Sc1nc2ccccc2s1 ZINC000587039678 JK Annotated Bother FC(F)(F)C(F)(F)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cn1 ZINC000587039688 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587039689 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587039695 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587039698 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587039704 JK Annotated Anodyne Ic1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587039714 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587039724 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587039726 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587039728 JK Annotated Anodyne FC(F)(F)c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587039756 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)cc1 ZINC000587039903 JK Annotated Clean CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncnc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587039995 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)ncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039999 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)ncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040000 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)O)cc5[nH]4)c23)cc1 ZINC000587040002 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)c23)cc1 ZINC000587040016 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587040023 JK Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1=O ZINC000587040033 JK Annotated Reactive C=CCN1C(=O)S[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1=O ZINC000587040034 JK Annotated Reactive Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cnc5[nH]4)c23)cc1 ZINC000587040039 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587040046 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040047 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587040069 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587040073 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587040085 JK Annotated Anodyne Clc1ncc(Br)c2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040093 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)cc5[nH]4)c23)cc1 ZINC000587040098 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)ncc5[nH]4)c23)cc1 ZINC000587040114 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(Cl)cnc(Cl)c5[nH]4)c23)cc1 ZINC000587040123 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040124 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C)c(OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040125 JK Annotated Anodyne Ic1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587040137 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(OCCN(C)C)cc5[nH]4)c23)cc1 ZINC000587040155 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C#N)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040166 JK Annotated Mild CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C#N)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040169 JK Annotated Mild COC(=O)c1cc2[nH]c(CSc3ncnc4scc(-c5ccc(C)cc5)c34)nc2cc1OC ZINC000587040173 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)cc(Cl)c5[nH]4)c23)cc1 ZINC000587040180 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc([N+](=O)[O-])cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040192 JK Annotated Bother FC(F)(F)Oc1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040193 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc([N+](=O)[O-])cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040194 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040203 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040204 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587040209 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587040251 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cncc(Br)c5[nH]4)c23)cc1 ZINC000587040276 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587040277 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587040278 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040294 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040297 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(-n6cccn6)c(F)cc5[nH]4)c23)cc1 ZINC000587040309 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587040321 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cnc(C(F)(F)F)[nH]c-5n4)c23)cc1 ZINC000587040323 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 ZINC000587040327 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(F)(F)F)cc5[nH]4)c23)cc1 ZINC000587040330 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc(C)c5[nH]4)c23)cc1 ZINC000587040331 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Oc6ccc(N)cc6)cc5[nH]4)c23)cc1 ZINC000587040333 JK Annotated Clean Ic1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587040347 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040351 JK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040378 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br ZINC000587040381 JK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040382 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7[nH]c(O)nc7cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040383 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7[nH]c(O)nc7cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040389 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)NC(=O)CO7)cc4)nc(O)c23)C1 ZINC000587040391 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)NC(=O)CO7)cc4)nc(O)c23)C1 ZINC000587040394 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(ccc7nc(C)ccc76)[nH]5)cc4)nc(O)c23)C1 ZINC000587040398 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(ccc7nc(C)ccc76)[nH]5)cc4)nc(O)c23)C1 ZINC000587040399 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040405 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040406 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(Br)c5[nH]4)c23)cc1 ZINC000587040412 JK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(OC)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040417 JK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(OC)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040418 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(N6CCN(C)CC6)cc5[nH]4)c23)cc1 ZINC000587040421 JK Annotated Anodyne c1ccc(Sc2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)cc1 ZINC000587040461 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCN3c4ccccc4Sc4ccccc43)[nH]c21 ZINC000587040480 JK Annotated Clean Ic1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040513 JK Annotated Anodyne CCCCCOc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587040552 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040554 JK Annotated Bother Ic1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040649 JK Annotated Anodyne CC(C)Oc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587040655 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587040677 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587040678 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587040679 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587040680 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587040893 JK Annotated Anodyne CC1=C(c2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587040901 JK Annotated Anodyne Brc1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1OCc1ccccc1 ZINC000587040915 JK Annotated Anodyne Brc1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1OCc1ccccc1 ZINC000587040916 JK Annotated Anodyne Brc1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1OCc1ccccc1 ZINC000587040917 JK Annotated Anodyne Brc1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1OCc1ccccc1 ZINC000587040918 JK Annotated Anodyne Clc1ncc(I)c2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040939 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587040952 JK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587040953 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587040958 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1 ZINC000587040975 JK Annotated Anodyne CCCOc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587040984 JK Annotated Anodyne CCCOc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587041010 JK Annotated Anodyne O=S(=O)(c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1)C(F)(F)F ZINC000587041011 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587041021 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587041045 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587041131 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587041133 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587041185 JK Annotated Anodyne Brc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041293 JK Annotated Anodyne Brc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041299 JK Annotated Anodyne Brc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041301 JK Annotated Anodyne Brc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041303 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587041382 JK Annotated Bother FC(F)(F)Oc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587041393 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587041398 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587041408 JK Annotated Anodyne Clc1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041496 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587041525 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041541 JK Annotated Bother FS(F)(F)(F)(F)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587041546 JK Annotated Reactive CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587041548 JK Annotated Anodyne FC(F)(F)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587041552 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587041559 JK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587041585 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041595 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041645 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041646 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041647 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041648 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587041665 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587041666 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587041729 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587041732 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587041772 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587041776 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587041811 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587041812 JK Annotated Anodyne CC(C)Oc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587041914 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587041924 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587041947 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587041948 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587041949 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587041950 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042005 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042006 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042007 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042008 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587042048 JK Annotated Reactive O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587042049 JK Annotated Reactive CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587042071 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587042075 JK Annotated Anodyne CC(C)COc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587042095 JK Annotated Anodyne CC(C)COc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587042102 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000587042169 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000587042176 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587042319 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CS[C@H](Cc6ccccc6)N5)[nH]c4c3)o2)cc1 ZINC000587042341 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CS[C@@H](Cc6ccccc6)N5)[nH]c4c3)o2)cc1 ZINC000587042342 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CS[C@@H](Cc6ccccc6)N5)[nH]c4c3)o2)cc1 ZINC000587042343 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CS[C@H](Cc6ccccc6)N5)[nH]c4c3)o2)cc1 ZINC000587042344 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587042474 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587042475 JK Annotated Anodyne COC(=O)c1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587042500 JK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587042501 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000587042518 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000587042519 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000587042530 JK Annotated Anodyne CCCOc1cc2nc([C@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000587042531 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587042556 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587042557 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587042592 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587042593 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587042630 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587042631 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587042632 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587042633 JK Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587042815 JK Annotated Reactive Brc1ccc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587042968 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccccc3C3SCCS3)[nH]c21 ZINC000587042971 JK Annotated Clean CCCCCCCCOc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br ZINC000587043132 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br ZINC000587043133 JK Annotated Mild CCCCOc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043146 JK Annotated Anodyne CCCCOc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043147 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587043148 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587043149 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587043154 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587043155 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587043182 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587043183 JK Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587043210 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043306 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043307 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043308 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043310 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587043342 JK Annotated Reactive CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587043344 JK Annotated Reactive O=C1CSc2ccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2N1 ZINC000587043408 JK Annotated Anodyne CCCCOc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587043414 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587043419 JK Annotated Anodyne CC(C)CCOc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587043445 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587043450 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587043455 JK Annotated Mild O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587043541 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587043542 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043604 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043605 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000587043632 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000587043633 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587043650 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587043651 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587043794 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587043796 JK Annotated Anodyne CCCOc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043808 JK Annotated Anodyne CCCOc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043810 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587044030 JK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587044031 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 ZINC000587044088 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 ZINC000587044089 JK Annotated Reactive CCCCCOc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587044248 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587044249 JK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587044268 JK Annotated Reactive CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587044269 JK Annotated Reactive CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587044282 JK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587044283 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587044314 JK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587044315 JK Annotated Anodyne COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044362 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587044381 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587044397 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587044414 JK Annotated Anodyne CCCCCOc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cc1Br ZINC000587044424 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587044470 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c(OC)c(Cl)cc(Cl)c3OC)nc2c1 ZINC000587044478 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044480 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044510 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br ZINC000587044547 JK Annotated Mild COc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044617 JK Annotated Anodyne COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044618 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587044620 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587044622 JK Annotated Clean COC(=O)c1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587044634 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587044642 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587044648 JK Annotated Anodyne CCCCOc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cc1Br ZINC000587044655 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587044668 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587044669 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587044687 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587044689 JK Annotated Anodyne CCCOc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cc1Br ZINC000587044698 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587044705 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044758 JK Annotated Bother COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044795 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c(OC)c(Cl)cc(Cl)c5OC)[nH]c4c3)o2)cc1 ZINC000587044809 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587044831 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587044873 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587044876 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587044901 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587044915 JK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587044919 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(OC)c(Cl)cc(Cl)c3OC)nc2c1 ZINC000587044947 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044959 JK Annotated Anodyne COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045053 JK Annotated Anodyne COc1cc(-c2nc3ccc(I)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045646 JK Annotated Anodyne COc1cc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045651 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045652 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045670 JK Annotated Bother COc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045671 JK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587045719 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(C)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045726 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(C)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045729 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045744 JK Annotated Anodyne COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1O ZINC000587045841 JK Annotated Reactive CCCOc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587045869 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587045870 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587045873 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587045874 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045893 JK Annotated Anodyne COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045899 JK Annotated Anodyne COc1cc(-c2nc3cccc(I)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045906 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045908 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045909 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587045917 JK Annotated Mild COc1cc(/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045927 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045929 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045930 JK Annotated Bother COc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045931 JK Annotated Bother COc1cc(/C=C/c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046001 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046002 JK Annotated Anodyne COc1cc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Cl)c1OCC(C)C ZINC000587046003 JK Annotated Anodyne COc1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Cl)c1OCC(C)C ZINC000587046004 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046007 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046010 JK Annotated Anodyne COc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046051 JK Annotated Bother COc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046052 JK Annotated Bother COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Cl)c1OCC(C)C ZINC000587046170 JK Annotated Clean COc1cc(/C=C\c2nc3ccc(Br)c(O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046176 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046177 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046188 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Cl)c1OCC(C)C ZINC000587046237 JK Annotated Clean COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Cl)c1OCC(C)C ZINC000587046239 JK Annotated Clean COc1cc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046255 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046258 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046276 JK Annotated Reactive COc1cc(/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046277 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046278 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046279 JK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046310 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046311 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046369 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046371 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046372 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046391 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587046392 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046402 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046403 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046436 JK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046447 JK Annotated Anodyne COc1cc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046448 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046449 JK Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046452 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046480 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046481 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046498 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046499 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046500 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046501 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(C)c(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046581 JK Annotated Anodyne COc1cc(/C=C\c2nc3c(C)c(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046582 JK Annotated Anodyne COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046591 JK Annotated Reactive COc1cc(/C=C\c2nc3cc(C#N)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046592 JK Annotated Mild COc1cc(/C=C/c2nc3cc(C#N)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046593 JK Annotated Mild COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046642 JK Annotated Anodyne COc1cc(/C=C/c2nc3cccc(I)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046678 JK Annotated Anodyne COc1cc(/C=C\c2nc3cccc(I)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046679 JK Annotated Anodyne COc1cc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046738 JK Annotated Anodyne COc1cc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046739 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046764 JK Annotated Bother COc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046765 JK Annotated Bother COc1cc(/C=C/c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046784 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046785 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046796 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046797 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(I)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046920 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(I)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046921 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046970 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046971 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047022 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047023 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047046 JK Annotated Clean COc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047047 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587047081 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587047082 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(Cl)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 ZINC000587047095 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(Cl)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 ZINC000587047096 JK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl ZINC000587047097 JK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl ZINC000587047098 JK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)ccc1Cl ZINC000587047128 JK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)ccc1Cl ZINC000587047130 JK Annotated Bother COc1cc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047150 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047155 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047197 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047198 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047205 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047206 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047249 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047250 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587047278 JK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587047279 JK Annotated Bother CC(C)COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587047280 JK Annotated Bother CC(C)COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587047281 JK Annotated Bother FC(F)(F)c1c(Br)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587047285 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000587047297 JK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000587047298 JK Annotated Bother Fc1c(Br)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1F ZINC000587047305 JK Annotated Anodyne Clc1ccc(-c2cc(-c3nc4cc(I)cnc4[nH]3)ccc2Cl)cc1 ZINC000587047308 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047340 JK Annotated Bother COC(=O)c1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047341 JK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587047344 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047377 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047378 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047381 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047382 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047417 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047418 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047445 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047446 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047447 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047448 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc-2[nH]1 ZINC000587047517 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl ZINC000587047530 JK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl ZINC000587047531 JK Annotated Bother Clc1ccc(-c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)ccc2Cl)cc1 ZINC000587047541 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047571 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047572 JK Annotated Anodyne COc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047575 JK Annotated Bother COc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047576 JK Annotated Bother COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047593 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047594 JK Annotated Anodyne COc1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Cl)c1OCC(C)C ZINC000587047607 JK Annotated Anodyne COc1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Cl)c1OCC(C)C ZINC000587047608 JK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047617 JK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047618 JK Annotated Anodyne COc1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047643 JK Annotated Anodyne COc1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047644 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587047679 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587047680 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587047681 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587047682 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047687 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047688 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047689 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047690 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047703 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047704 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047705 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047706 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587047740 JK Annotated Bother FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587047798 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047806 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047807 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047808 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047809 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587047850 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587047858 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587047859 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587047865 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587047866 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587047872 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587047873 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587047878 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587047879 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000587047881 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000587047882 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587047883 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587047884 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587047995 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048004 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048005 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048007 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048009 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587048083 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587048084 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587048085 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587048086 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587048099 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000587048105 JK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000587048106 JK Annotated Bother FC(F)(F)C(F)(F)c1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cn1 ZINC000587048111 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048112 JK Annotated Bother CC(C)CCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048113 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587048121 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587048136 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587048137 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587048177 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587048178 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587048179 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587048181 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587048182 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587048184 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587048211 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587048212 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587048215 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587048216 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587048225 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587048228 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587048236 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587048237 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587048248 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587048257 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587048259 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587048262 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587048276 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587048277 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587048287 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048301 JK Annotated Bother CCCCCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048303 JK Annotated Bother Clc1ccc(-c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)ccc2Cl)cc1 ZINC000587048350 JK Annotated Anodyne Clc1ccc(-c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)ccc2Cl)cc1 ZINC000587048389 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)c1 ZINC000587048397 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cn1 ZINC000587048401 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 ZINC000587048412 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587048429 JK Annotated Anodyne Clc1ccc(-c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)ccc2Cl)cc1 ZINC000587048445 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587048465 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587048468 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587048480 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl ZINC000587048486 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587048487 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl ZINC000587048492 JK Annotated Bother CCCCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048493 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048494 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048497 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048499 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048503 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048507 JK Annotated Anodyne Clc1ccc(-c2cc(-c3nc4cccc(I)c4[nH]3)ccc2Cl)cc1 ZINC000587048559 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587048560 JK Annotated Bother FC(F)(F)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587048565 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(I)cnc4[nH]3)c2)c1 ZINC000587048598 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587048599 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587048617 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587048626 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587048631 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587048636 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587048660 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000587048695 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587048710 JK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587048741 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587048742 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c1 ZINC000587048743 JK Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587048747 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587048748 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587048771 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587048805 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587048856 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587048861 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587048878 JK Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587048883 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048934 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048935 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048936 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587048937 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587048938 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587048942 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587048945 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587048948 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587048970 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587048971 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587048997 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587049008 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000587049011 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587049019 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587049020 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587049032 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587049037 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587049039 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587049043 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587049050 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587049072 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 ZINC000587049074 JK Annotated Clean N#Cc1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587049075 JK Annotated Mild O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1Cl ZINC000587049088 JK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1Cl ZINC000587049097 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000587049113 JK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587049123 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587049125 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587049128 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587049129 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049143 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 ZINC000587049144 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000587049147 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000587049150 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587049157 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587049171 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587049177 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587049182 JK Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Cl ZINC000587049197 JK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Cl ZINC000587049198 JK Annotated Bother CC(C)Oc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587049201 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587049215 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587049220 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 ZINC000587049231 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587049232 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587049233 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587049246 JK Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587049345 JK Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587049419 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049446 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049447 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049448 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587049449 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 ZINC000587049505 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 ZINC000587049506 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587049508 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587049510 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587049517 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000587049555 JK Annotated Mild Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)o2)c1 ZINC000587049557 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000587049562 JK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587049575 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c21 ZINC000587049603 JK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587049623 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587049625 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587049626 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587049627 JK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)o2)c1 ZINC000587049630 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587049665 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000587049675 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587049676 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000587049678 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587049685 JK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587049693 JK Annotated Mild Clc1ccc(Cl)c(-c2ccc(-c3nc4c(I)cccc4[nH]3)o2)c1 ZINC000587049713 JK Annotated Anodyne Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587049716 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587049729 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1Br ZINC000587049766 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 ZINC000587049812 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 ZINC000587049824 JK Annotated Clean O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587049843 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1 ZINC000587049907 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587049941 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587049942 JK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049987 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049994 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049995 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049996 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050011 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050012 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050013 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050015 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587050088 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587050090 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587050092 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587050097 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587050160 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587050187 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587050191 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587050200 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000587050235 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587050237 JK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587050244 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587050245 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587050248 JK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(I)ccc4[nH]3)o2)c1 ZINC000587050263 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc-2[nH]1 ZINC000587050269 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587050331 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587050332 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)c1 ZINC000587050334 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587050344 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587050357 JK Annotated Bother O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587050369 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 ZINC000587050379 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587050387 JK Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587050452 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587050475 JK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587050477 JK Annotated Bother FC(F)(F)Oc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587050495 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587050512 JK Annotated Reactive CCCOc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587050529 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587050597 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587050602 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H]5c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1 ZINC000587050627 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587050628 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H]5c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1 ZINC000587050635 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H]5c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1 ZINC000587050637 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@H]5c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1 ZINC000587050638 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587050655 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587050657 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050675 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050677 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(Br)c3[nH]2)c1 ZINC000587050679 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050680 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(Br)c3[nH]2)c1 ZINC000587050681 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050683 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587050730 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587050776 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050814 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050820 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050823 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050828 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000587050862 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000587050864 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587050866 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587050882 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc-2[nH]1 ZINC000587050913 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050924 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050927 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587050928 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050931 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050935 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050937 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050941 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050947 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050952 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587050971 JK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587050974 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587050984 JK Annotated Bother FC(F)(F)c1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587050989 JK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)o2)c1 ZINC000587051004 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587051005 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587051030 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587051033 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587051035 JK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587051038 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587051039 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587051043 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587051046 JK Annotated Bother FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587051073 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587051075 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 ZINC000587051079 JK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4ncc(I)cc4[nH]3)o2)c1 ZINC000587051117 JK Annotated Anodyne Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587051161 JK Annotated Anodyne Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587051162 JK Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587051184 JK Annotated Reactive COc1cccc(-c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c(Cl)c2)c1 ZINC000587051192 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2cc1Br ZINC000587051195 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc1-2 ZINC000587051228 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Cl ZINC000587051232 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(Cl)c2)c1 ZINC000587051267 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587051366 JK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587051373 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1C ZINC000587051464 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587051485 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587051487 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587051491 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587051495 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587051507 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587051514 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587051516 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000587051519 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587051548 JK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051608 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051619 JK Annotated Bother COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(Cl)c2)c1 ZINC000587051620 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587051674 JK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)o2)c1 ZINC000587051678 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587051704 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587051821 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2cc1Br ZINC000587051828 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587051863 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587051864 JK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587051865 JK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587051866 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587051903 JK Annotated Mild COc1cccc(-c2ccc(-c3nc4cccc(I)c4[nH]3)c(Cl)c2)c1 ZINC000587051959 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587051962 JK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051972 JK Annotated Anodyne Cc1nc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2cc1Br ZINC000587051989 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(Cl)c2)c1 ZINC000587051996 JK Annotated Bother FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 ZINC000587052023 JK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587052032 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587052040 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587052045 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587052095 JK Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587052118 JK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052192 JK Annotated Bother COc1cccc(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(Cl)c2)c1 ZINC000587052226 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cccc(OC)c4)cc3Cl)nc2c1 ZINC000587052236 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2cc1Br ZINC000587052240 JK Annotated Anodyne O=c1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052254 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)c2)c1 ZINC000587052260 JK Annotated Reactive COc1cccc(-c2ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(Cl)c2)c1 ZINC000587052281 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052287 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(Cl)c2)c1 ZINC000587052299 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587052318 JK Annotated Anodyne Cc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052343 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(Cl)c2)c1 ZINC000587052353 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587052357 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(Cl)c2)c1 ZINC000587052363 JK Annotated Clean COc1cccc(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(Cl)c2)c1 ZINC000587052381 JK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052398 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(Cl)c2)c1 ZINC000587052410 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(Cl)c2)c1 ZINC000587052417 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587052425 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(I)cnc4[nH]3)c(Cl)c2)c1 ZINC000587052437 JK Annotated Anodyne CCc1cc(OCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)ccc1Cl ZINC000587052453 JK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2cc1Br ZINC000587052491 JK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052540 JK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052563 JK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(Cl)c2)c1 ZINC000587052564 JK Annotated Anodyne N#Cc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1C(F)(F)F ZINC000587052571 JK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cccc(OC)c4)cc3Cl)nc2c1 ZINC000587052589 JK Annotated Anodyne O=c1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052605 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587052619 JK Annotated Anodyne O=c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052643 JK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2cc1Br ZINC000587052651 JK Annotated Mild N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587052718 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-n6cccc6)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000587052730 JK Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587052736 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br ZINC000587052805 JK Annotated Mild CCc1cc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587052813 JK Annotated Reactive CCc1cc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Cl ZINC000587052826 JK Annotated Anodyne CCc1cc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)ccc1Cl ZINC000587052834 JK Annotated Anodyne CCc1cc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl ZINC000587052877 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br ZINC000587052897 JK Annotated Anodyne CCc1cc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1Cl ZINC000587052999 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br ZINC000587053000 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587053050 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587053051 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587053054 JK Annotated Mild C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587053056 JK Annotated Mild C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587053093 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587053096 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587053098 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587053099 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587053106 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587053108 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587053124 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587053126 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587053129 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587053131 JK Annotated Bother Cc1c(Br)ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587053132 JK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587053140 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cn1 ZINC000587053146 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cn1 ZINC000587053148 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587053157 JK Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587053159 JK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587053160 JK Annotated Mild CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587053161 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587053163 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587053164 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587053178 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587053180 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587053181 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587053185 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587053199 JK Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587053201 JK Annotated Mild C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587053202 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587053204 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587053205 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587053206 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587053301 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587053302 JK Annotated Mild C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587053347 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587053348 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Br)c2[nH]1 ZINC000587053355 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Br)c2[nH]1 ZINC000587053356 JK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587053360 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587053361 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587053370 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587053371 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587053372 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587053373 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587053379 JK Annotated Clean CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587053380 JK Annotated Clean C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587053383 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587053384 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587053403 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587053406 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ncc[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053410 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ncc[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053416 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ncc[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053417 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ncc[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053418 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587053432 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587053442 JK Annotated Anodyne O=c1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053443 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053468 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053472 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053475 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053476 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587053479 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587053480 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587053486 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587053491 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587053509 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587053510 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587053516 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587053517 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587053518 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587053521 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587053535 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587053538 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587053539 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587053541 JK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053551 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cncnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053565 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cncnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053566 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cncnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053567 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cncnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053568 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(O)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053577 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(O)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053578 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(O)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053579 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(O)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053580 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCO4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053754 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCO4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053760 JK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587053782 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587053785 JK Annotated Anodyne Cc1cc(Cl)cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587053787 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587053790 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587053791 JK Annotated Anodyne Cc1cc(Cl)cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587053800 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587053822 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587053827 JK Annotated Bother Cc1nccc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053843 JK Annotated Anodyne Cc1nccc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053850 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587053853 JK Annotated Anodyne Cc1nccc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053854 JK Annotated Anodyne Cc1nccc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053856 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587053859 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587053868 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587053870 JK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cccc(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053873 JK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587053874 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053875 JK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cccc(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053876 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053877 JK Annotated Reactive COc1cc(OC)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587053878 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053879 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053883 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587053939 JK Annotated Bother Cc1cc(Br)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587053943 JK Annotated Bother Nc1ccnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053957 JK Annotated Anodyne Nc1ccnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053962 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587053963 JK Annotated Bother Nc1ccnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053965 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587053966 JK Annotated Bother Nc1ccnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053968 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587053974 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587053990 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(N)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053996 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(N)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054004 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587054036 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587054039 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587054041 JK Annotated Mild C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587054047 JK Annotated Mild Cc1cncc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587054069 JK Annotated Anodyne Cc1cncc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587054072 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587054076 JK Annotated Anodyne Cc1cncc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587054078 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587054079 JK Annotated Anodyne Cc1cncc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587054081 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c3c2)cc1N ZINC000587054114 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587054126 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587054127 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054128 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054131 JK Annotated Anodyne COC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 ZINC000587054133 JK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cc(F)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054134 JK Annotated Anodyne COC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 ZINC000587054135 JK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 ZINC000587054170 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 ZINC000587054171 JK Annotated Anodyne Clc1cccc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Cl ZINC000587054193 JK Annotated Anodyne Clc1cccc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Cl ZINC000587054195 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054198 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054202 JK Annotated Reactive Cc1ccc2c(ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c32)n1 ZINC000587054210 JK Annotated Reactive Cc1ccc2c(ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c32)n1 ZINC000587054212 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054218 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054222 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054223 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054225 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587054237 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587054238 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587054248 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587054250 JK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054266 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054270 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054285 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054288 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054291 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054296 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054299 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054305 JK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3cc(F)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054309 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587054322 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587054324 JK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054326 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054335 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054338 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054340 JK Annotated Reactive COC(=O)c1cccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587054358 JK Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587054362 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587054383 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587054384 JK Annotated Anodyne COC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1OC ZINC000587054399 JK Annotated Reactive COC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1OC ZINC000587054400 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054406 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054409 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054412 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054422 JK Annotated Reactive O=c1ccc(-c2nc3ccc(I)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587054425 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587054431 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587054432 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587054437 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587054438 JK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587054445 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054461 JK Annotated Reactive N=c1[nH]cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc-2[nH]1 ZINC000587054463 JK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587054464 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587054465 JK Annotated Anodyne N=c1[nH]cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc-2[nH]1 ZINC000587054466 JK Annotated Anodyne N=c1[nH]cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc-2[nH]1 ZINC000587054467 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054468 JK Annotated Reactive N=c1[nH]cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc-2[nH]1 ZINC000587054469 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587054470 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587054479 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587054480 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054485 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054486 JK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587054516 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587054519 JK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cccc(C(N)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054551 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(C(N)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054552 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(CCO)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054553 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(CCO)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054557 JK Annotated Reactive COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1F ZINC000587054565 JK Annotated Reactive COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1F ZINC000587054568 JK Annotated Reactive O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587054581 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587054582 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054636 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054640 JK Annotated Reactive Clc1cccc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl ZINC000587054655 JK Annotated Anodyne Clc1cccc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl ZINC000587054656 JK Annotated Anodyne Cc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587054664 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(Br)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054670 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cccc(Cl)c5Cl)[nH]c4c3)o2)cc1 ZINC000587054671 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3c(Br)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054672 JK Annotated Reactive COC(=O)c1cccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587054673 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cccc(Cl)c5Cl)[nH]c4c3)o2)cc1 ZINC000587054675 JK Annotated Anodyne COC(=O)c1cccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587054677 JK Annotated Reactive N#Cc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1C(F)(F)F ZINC000587054686 JK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587054700 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc4c(c3[nH]2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054701 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc4c(c3[nH]2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054707 JK Annotated Reactive FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587054708 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587054711 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3c2)cc1 ZINC000587054737 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3c2)cc1 ZINC000587054739 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)c1Cl ZINC000587054741 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587054764 JK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054772 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054773 JK Annotated Reactive COC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054778 JK Annotated Reactive COC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054779 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000587054821 JK Annotated Mild CCCOc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587054853 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587054868 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587054870 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587054873 JK Annotated Anodyne COc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1OC ZINC000587054883 JK Annotated Anodyne COc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1OC ZINC000587054885 JK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 ZINC000587054897 JK Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 ZINC000587054898 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnccc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054911 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnccc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054914 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnccc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054918 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnccc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054920 JK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1F ZINC000587054922 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587054930 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587054932 JK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3ccnc(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054933 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccnc(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054937 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccnc(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054941 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccnc(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054944 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)o2)c1Cl ZINC000587054957 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587054958 JK Annotated Anodyne Cc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587054972 JK Annotated Anodyne Cc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587054973 JK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1OC ZINC000587054980 JK Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1OC ZINC000587054982 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587054984 JK Annotated Bother Cc1cc(Br)cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587054985 JK Annotated Bother Clc1cccc(OCc2ccc(-c3nc4ncc(I)cc4[nH]3)o2)c1Cl ZINC000587055003 JK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587055015 JK Annotated Mild Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055044 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055045 JK Annotated Reactive COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1C ZINC000587055052 JK Annotated Reactive COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1C ZINC000587055053 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055084 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055086 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cnc4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055089 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cnc4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055091 JK Annotated Reactive CC(C)CCOc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055194 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055196 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055203 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055206 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055217 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055222 JK Annotated Reactive Cc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl ZINC000587055228 JK Annotated Reactive Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl ZINC000587055229 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055238 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055239 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587055250 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587055251 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587055252 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587055253 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587055270 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587055273 JK Annotated Anodyne COc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587055276 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587055283 JK Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3c2)cc1 ZINC000587055287 JK Annotated Clean C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587055294 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587055304 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(F)cnc2[nH]1 ZINC000587055353 JK Annotated Anodyne COc1cncc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587055355 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587055356 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587055361 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)o2)c1Cl ZINC000587055372 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587055395 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587055396 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587055397 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587055401 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587055404 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587055405 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587055406 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587055408 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587055409 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Cl ZINC000587055470 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587055492 JK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587055503 JK Annotated Anodyne N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055507 JK Annotated Reactive N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055515 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(F)c2[nH]1 ZINC000587055532 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055554 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055565 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055567 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055569 JK Annotated Reactive Cc1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587055584 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587055589 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587055591 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)o2)c1Cl ZINC000587055619 JK Annotated Anodyne O=c1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587055626 JK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587055631 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cn1 ZINC000587055637 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)o2)c1Cl ZINC000587055645 JK Annotated Bother Cc1cc(C)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587055649 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3nc(Br)c[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055669 JK Annotated Reactive FC(F)(F)Oc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055672 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3nc(Br)c[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055673 JK Annotated Reactive FC(F)(F)Oc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055675 JK Annotated Anodyne Cc1cccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587055681 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587055687 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(OC(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055697 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587055700 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587055702 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(OC(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055703 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587055712 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc21 ZINC000587055723 JK Annotated Clean COC(=O)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587055754 JK Annotated Anodyne Cc1c(Cl)ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587055755 JK Annotated Reactive Cc1c(Cl)ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587055757 JK Annotated Reactive COC(=O)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587055758 JK Annotated Anodyne Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055799 JK Annotated Anodyne Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055803 JK Annotated Anodyne Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055805 JK Annotated Anodyne Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055807 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(O)cc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587055811 JK Annotated Bother COC(=O)c1ccnc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587055829 JK Annotated Reactive COC(=O)c1ccnc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587055830 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C#N)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055835 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(C#N)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055836 JK Annotated Reactive N[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587055848 JK Annotated Anodyne N[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587055849 JK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2cc1OC ZINC000587055852 JK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2cc1OC ZINC000587055854 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1C ZINC000587055855 JK Annotated Bother Cc1c(Br)cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1C ZINC000587055857 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587055858 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587055860 JK Annotated Bother COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587055888 JK Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587055890 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587055892 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587055896 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587055897 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587055903 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587055905 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587055928 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587055933 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587055966 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587055972 JK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587055984 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587055987 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587056052 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587056054 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587056060 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587056063 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056148 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056153 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587056169 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587056180 JK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)o2)c1Cl ZINC000587056211 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587056219 JK Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587056228 JK Annotated Reactive Cc1cnc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587056234 JK Annotated Anodyne COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1OC ZINC000587056256 JK Annotated Reactive COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1OC ZINC000587056258 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587056292 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056293 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056295 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccnc(O)c2[nH]1 ZINC000587056298 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056302 JK Annotated Reactive COc1cccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587056304 JK Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 ZINC000587056306 JK Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 ZINC000587056311 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056312 JK Annotated Reactive Cc1nc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1Br ZINC000587056317 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056319 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587056320 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056322 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056334 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056335 JK Annotated Reactive COC(=O)c1cc(Cl)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587056347 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)o2)c1Cl ZINC000587056350 JK Annotated Anodyne COC(=O)c1cc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1OC ZINC000587056353 JK Annotated Reactive COC(=O)c1cc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1OC ZINC000587056355 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587056360 JK Annotated Anodyne Clc1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587056363 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000587056366 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)o2)c1Cl ZINC000587056413 JK Annotated Anodyne Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056417 JK Annotated Anodyne Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056420 JK Annotated Anodyne Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056422 JK Annotated Anodyne Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056423 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587056428 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587056442 JK Annotated Reactive Cc1c(Br)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587056444 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc12 ZINC000587056446 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(I)cccc4[nH]3)o2)c1Cl ZINC000587056451 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587056477 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056484 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056485 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056486 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056488 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587056521 JK Annotated Anodyne O=c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587056522 JK Annotated Bother O=c1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587056524 JK Annotated Anodyne O=c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cn1Cc1ccc(Cl)cc1Cl ZINC000587056533 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056636 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056638 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056644 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056649 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587056651 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587056654 JK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587056694 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587056706 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056715 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056717 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587056783 JK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3cc(C#N)c(C#N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056787 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(C#N)c(C#N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056788 JK Annotated Reactive Cc1cnc(Cl)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587056790 JK Annotated Reactive Cc1cnc(Cl)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587056793 JK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587056795 JK Annotated Bother Cc1ccc2c(ccc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c32)n1 ZINC000587056818 JK Annotated Anodyne CCOC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587056819 JK Annotated Reactive CCOC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587056820 JK Annotated Reactive Cc1ccc2c(ccc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c32)n1 ZINC000587056822 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587056824 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056827 JK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587056828 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056833 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587056859 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587056860 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056867 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587056880 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056881 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056884 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056885 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cncc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056886 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cncc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056887 JK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587056891 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587056894 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056896 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056897 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056898 JK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587056899 JK Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587056912 JK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1Br ZINC000587056913 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3c(S)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056930 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(S)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056931 JK Annotated Reactive Cc1c(Cl)ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587056932 JK Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587056942 JK Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc12 ZINC000587056948 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Cl ZINC000587056952 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056962 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056963 JK Annotated Reactive COc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587056968 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056969 JK Annotated Reactive CC1=C(c2ccc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3c2)NNC(=O)C1 ZINC000587056972 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(F)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056993 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(O)c2[nH]1 ZINC000587056994 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3c(F)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056996 JK Annotated Reactive Cc1nccc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc12 ZINC000587057002 JK Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587057005 JK Annotated Anodyne COC(=O)c1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cn1 ZINC000587057044 JK Annotated Reactive COC(=O)c1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cn1 ZINC000587057046 JK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4cc(I)ccc4[nH]3)o2)c1Cl ZINC000587057051 JK Annotated Anodyne CSc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587057052 JK Annotated Reactive CSc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587057054 JK Annotated Reactive Cc1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057070 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587057079 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587057081 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)o2)c1Cl ZINC000587057094 JK Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587057109 JK Annotated Anodyne C=CCc1cccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587057118 JK Annotated Mild Fc1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057129 JK Annotated Anodyne O=c1ccc(-c2nc3cccc(I)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587057133 JK Annotated Anodyne COc1nccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587057140 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587057144 JK Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587057154 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc-2[nH]1 ZINC000587057158 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057168 JK Annotated Reactive Cc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587057171 JK Annotated Anodyne Cc1cncc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587057175 JK Annotated Anodyne FC(F)(F)Sc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587057178 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057194 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057197 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057200 JK Annotated Reactive O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587057203 JK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057235 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057244 JK Annotated Reactive Nc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057264 JK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057265 JK Annotated Reactive Nc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057270 JK Annotated Anodyne Nc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057273 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057275 JK Annotated Reactive Nc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057276 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc4ccccc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057293 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4ccccc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057299 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057305 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057309 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587057379 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587057382 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587057415 JK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587057417 JK Annotated Reactive CC(C)Oc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057429 JK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057432 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587057433 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587057434 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587057435 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587057436 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587057438 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587057439 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587057460 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587057461 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587057474 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587057475 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587057493 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587057495 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587057498 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587057499 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587057503 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587057504 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)cc2[nH]1 ZINC000587057523 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)cc2[nH]1 ZINC000587057525 JK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587057526 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587057529 JK Annotated Anodyne COc1cc(OC)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587057608 JK Annotated Reactive COc1cc(OC)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587057609 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057626 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057634 JK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)o2)c1Cl ZINC000587057649 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057652 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057655 JK Annotated Reactive Cc1c(F)ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587057677 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057692 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057699 JK Annotated Reactive FC(F)(F)c1cc(Cl)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057710 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057764 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057770 JK Annotated Reactive Fc1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587057781 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587057798 JK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057800 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057809 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587057830 JK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)o2)c1Cl ZINC000587057833 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057838 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057840 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587057843 JK Annotated Bother Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc12 ZINC000587057844 JK Annotated Anodyne Cc1c(Br)cnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 ZINC000587057852 JK Annotated Anodyne Cc1cc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1[N+](=O)[O-] ZINC000587057871 JK Annotated Reactive Cc1cc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1[N+](=O)[O-] ZINC000587057874 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(Br)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057884 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Br)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057886 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587057903 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587057915 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000587057922 JK Annotated Mild Cc1cc(Cl)cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587057923 JK Annotated Anodyne Fc1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1Br ZINC000587057925 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057935 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(O)cc2[nH]1 ZINC000587057948 JK Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587057950 JK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587057954 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(CCO)cc2[nH]1 ZINC000587057955 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587057957 JK Annotated Anodyne Cc1cc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587057959 JK Annotated Mild Cc1cc(F)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587057961 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587057971 JK Annotated Bother Cc1cc(-c2nc3c(F)cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587057972 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587057974 JK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3c(O)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057992 JK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587057995 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587057998 JK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3c(O)nc(S)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057999 JK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587058000 JK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587058002 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587058008 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587058011 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)cncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058016 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587058021 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587058022 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587058045 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587058048 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)nccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058050 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587058059 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587058060 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587058061 JK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587058062 JK Annotated Bother COC(=O)c1cc(Cl)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 ZINC000587058065 JK Annotated Anodyne COc1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2cc1Cl ZINC000587058068 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587058074 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587058075 JK Annotated Anodyne Cc1cc(-c2nc3nccc(Br)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058076 JK Annotated Anodyne Cc1cc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058078 JK Annotated Anodyne Cc1cc(-c2nc3nc(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058085 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587058159 JK Annotated Anodyne Cc1cc(-c2nc3c(O)c(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058168 JK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058170 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587058191 JK Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587058194 JK Annotated Anodyne Cc1ccnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587058196 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1C ZINC000587058199 JK Annotated Anodyne Cc1ccnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587058200 JK Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587058203 JK Annotated Anodyne Nc1nccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058211 JK Annotated Anodyne Nc1nccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058213 JK Annotated Anodyne Nc1nccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058214 JK Annotated Anodyne Nc1nccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058215 JK Annotated Anodyne Cc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058238 JK Annotated Anodyne Cc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058241 JK Annotated Anodyne Cc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058242 JK Annotated Anodyne Cc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058245 JK Annotated Anodyne O=c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cn1Cc1ccc(Cl)cc1Cl ZINC000587058261 JK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058318 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058319 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058378 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058379 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058410 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058413 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058417 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058420 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCCO4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058449 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCCO4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058452 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058490 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058494 JK Annotated Reactive COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl ZINC000587058497 JK Annotated Reactive COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Cl ZINC000587058513 JK Annotated Reactive CCOC(=O)Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587058528 JK Annotated Reactive CCOC(=O)Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587058529 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058537 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058540 JK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058543 JK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058546 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587058560 JK Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1Cl ZINC000587058595 JK Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1Cl ZINC000587058602 JK Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587058628 JK Annotated Anodyne Cc1cc(-c2nc3c(F)c(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058633 JK Annotated Anodyne Cc1cc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058634 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)c(F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058656 JK Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1OC ZINC000587058674 JK Annotated Anodyne Cc1cc(-c2nc3ncc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058682 JK Annotated Anodyne Cc1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058692 JK Annotated Anodyne Cc1cc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058698 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587058703 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587058705 JK Annotated Anodyne O[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587058708 JK Annotated Reactive O[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587058709 JK Annotated Reactive Cc1cc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058734 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br ZINC000587058765 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br ZINC000587058771 JK Annotated Mild Cc1cc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058804 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587058809 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587058812 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058867 JK Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058871 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587058887 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587058889 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058908 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058909 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058910 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058911 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnnc(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058913 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnnc(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058914 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnnc(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058915 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnnc(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058916 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587058919 JK Annotated Mild C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587058920 JK Annotated Mild Cc1nc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2cc1Br ZINC000587058933 JK Annotated Anodyne Cc1nc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2cc1Br ZINC000587058934 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587058944 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587058945 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059000 JK Annotated Anodyne Cc1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059005 JK Annotated Bother Cc1cc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059012 JK Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059051 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059056 JK Annotated Anodyne Cc1cc(-c2nc3cc(F)c(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059064 JK Annotated Anodyne Cc1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059080 JK Annotated Anodyne Cc1cc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059083 JK Annotated Anodyne Cc1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059095 JK Annotated Anodyne Cc1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059127 JK Annotated Anodyne Cc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059134 JK Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587059148 JK Annotated Anodyne Cc1cnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587059159 JK Annotated Anodyne Cc1cnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587059160 JK Annotated Anodyne Cc1cnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587059161 JK Annotated Anodyne Cc1cnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587059162 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587059166 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587059167 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587059168 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587059169 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587059184 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587059185 JK Annotated Anodyne COc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Cl ZINC000587059209 JK Annotated Anodyne COc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Cl ZINC000587059210 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(O)ncnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059211 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(O)ncnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059212 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(O)ncnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059213 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(O)ncnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059214 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 ZINC000587059279 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059333 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(C#N)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059351 JK Annotated Mild Cc1cc(-c2nc3ncc(Br)c(C)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059353 JK Annotated Anodyne Cc1cc(-c2nc3cc(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059365 JK Annotated Anodyne Cc1cc(-c2nc3cnc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059379 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br ZINC000587059386 JK Annotated Mild Cc1cc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059390 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059392 JK Annotated Anodyne Cc1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059410 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587059429 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587059430 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 ZINC000587059436 JK Annotated Anodyne Cc1cc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059540 JK Annotated Anodyne Nc1ncnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059548 JK Annotated Anodyne Nc1ncnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059549 JK Annotated Anodyne Nc1ncnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059550 JK Annotated Anodyne Nc1ncnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059551 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059565 JK Annotated Reactive O=c1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059578 JK Annotated Anodyne O=c1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059629 JK Annotated Anodyne Cc1cc(-c2nc3c(C)c(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059694 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 ZINC000587059739 JK Annotated Reactive Cc1cc(-c2nc3c(Br)ncc(F)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059749 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br ZINC000587059752 JK Annotated Mild Cc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059755 JK Annotated Anodyne Cc1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059762 JK Annotated Bother Cc1cc(-c2nc3cc(Br)c(C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059780 JK Annotated Anodyne Cc1cc(-c2nc3nc(C)c(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059786 JK Annotated Anodyne Cc1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059802 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059805 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2cc1OC ZINC000587059814 JK Annotated Anodyne Cc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059819 JK Annotated Anodyne Cc1cc(-c2nc3c(C)cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059838 JK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059875 JK Annotated Anodyne O=c1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059895 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587059907 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587059908 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059918 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059919 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059920 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059921 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059922 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059923 JK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059924 JK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059925 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br ZINC000587060064 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br ZINC000587060065 JK Annotated Mild O=c1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587060095 JK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587060112 JK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587060113 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1Br ZINC000587060162 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Cl ZINC000587060261 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 ZINC000587060273 JK Annotated Reactive COC(=O)c1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587060329 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(N)nc5-c5ccccc5Cl)[nH]c4c3)o2)cc1 ZINC000587060337 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587060357 JK Annotated Anodyne Clc1ccccc1-c1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)co1 ZINC000587060395 JK Annotated Anodyne Nc1ncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060417 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc1-2 ZINC000587060433 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587060442 JK Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060570 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060583 JK Annotated Anodyne CCCCOc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587060588 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060623 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060650 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060664 JK Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3cc(C)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060670 JK Annotated Anodyne Cc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060673 JK Annotated Bother CCCOc1cc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587060677 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br ZINC000587060695 JK Annotated Mild Clc1ccccc1-c1cc(-c2nc3ccc(I)cc3[nH]2)c2ccccc2n1 ZINC000587060745 JK Annotated Anodyne Cc1cc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060749 JK Annotated Anodyne Cc1cc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060751 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060762 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060774 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060794 JK Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060800 JK Annotated Anodyne Nc1ncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060814 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cn1 ZINC000587060916 JK Annotated Anodyne Clc1ccccc1-c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc2n1 ZINC000587060930 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc-2[nH]1 ZINC000587060939 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587060949 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 ZINC000587060953 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060994 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061004 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061007 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061050 JK Annotated Mild CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061051 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061055 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061069 JK Annotated Anodyne Cc1cc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061071 JK Annotated Anodyne Cc1cc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061089 JK Annotated Clean CCCCOc1cc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587061131 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(Br)cc3[nH]2)cc2ccccc21 ZINC000587061144 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Cl ZINC000587061251 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587061276 JK Annotated Anodyne CCCOc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587061307 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 ZINC000587061310 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587061374 JK Annotated Anodyne Cc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061435 JK Annotated Bother CCN1C(=O)C[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061452 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061468 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061486 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061490 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061504 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Br)c(C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061505 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061531 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061532 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061564 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061566 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061577 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061587 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587061598 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061605 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061617 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)nc2c1 ZINC000587061623 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061639 JK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587061662 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587061679 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 ZINC000587061728 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587061733 JK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587061736 JK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587061754 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587061756 JK Annotated Anodyne Cc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587061783 JK Annotated Anodyne Nc1ncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061799 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c(Br)ccnc3[nH]2)cc2ccccc21 ZINC000587061920 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc(C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061940 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062059 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062060 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062069 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062083 JK Annotated Anodyne Cc1cc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062092 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587062102 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 ZINC000587062110 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062120 JK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062128 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062129 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062139 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062160 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062162 JK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4cc(C)nc5c4c(C)nn5Cc4ccccc4Cl)nc32)n1 ZINC000587062175 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062208 JK Annotated Bother Cc1c(Br)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587062217 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1C ZINC000587062218 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062226 JK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587062243 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587062244 JK Annotated Anodyne Cc1nc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587062282 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587062310 JK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587062312 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062400 JK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587062405 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587062406 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 ZINC000587062431 JK Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062452 JK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587062453 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587062459 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062464 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cccc(Br)c3[nH]2)cc2ccccc21 ZINC000587062482 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062499 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062501 JK Annotated Anodyne CCCOc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587062517 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062526 JK Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 ZINC000587062533 JK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587062548 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062558 JK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062597 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062605 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)c(C)c(C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062606 JK Annotated Anodyne Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062607 JK Annotated Bother CCN1C(=O)C[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H]1c1ccccc1Cl ZINC000587062628 JK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062640 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587062642 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062646 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062662 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 ZINC000587062686 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062702 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587062771 JK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587062788 JK Annotated Reactive CC[C@H](Oc1ccccc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587062789 JK Annotated Reactive FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587062792 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1COc1ccccc1Cl ZINC000587062807 JK Annotated Anodyne Cc1onc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587062808 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587062817 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587062844 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 ZINC000587062856 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587062865 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br ZINC000587062886 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br ZINC000587062889 JK Annotated Mild Clc1ccccc1OCc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000587062932 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br ZINC000587062998 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br ZINC000587062999 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587063001 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063035 JK Annotated Anodyne Clc1ccccc1-c1nc(-c2nc3c(Br)cnc(Br)c3[nH]2)co1 ZINC000587063048 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587063053 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063059 JK Annotated Bother FC(F)(F)Oc1cc(Br)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587063061 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063072 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587063078 JK Annotated Anodyne CC(C)Oc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063088 JK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587063105 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587063112 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063132 JK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587063133 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063134 JK Annotated Bother Cc1onc(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1COc1ccccc1Cl ZINC000587063136 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(COc4ccccc4Cl)cc3)nc-2[nH]1 ZINC000587063137 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063144 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063170 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063179 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063198 JK Annotated Bother Cc1onc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063214 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063229 JK Annotated Anodyne Clc1ccccc1-c1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)co1 ZINC000587063241 JK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063263 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 ZINC000587063265 JK Annotated Anodyne Cc1onc(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1COc1ccccc1Cl ZINC000587063283 JK Annotated Anodyne Cc1onc(-c2nc3cc(I)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063317 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063321 JK Annotated Anodyne Cc1onc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1COc1ccccc1Cl ZINC000587063329 JK Annotated Clean Clc1ccccc1-c1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587063341 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063359 JK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587063371 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063378 JK Annotated Anodyne Cc1onc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063424 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063444 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)ncc(Br)c3[nH]2)c1COc1ccccc1Cl ZINC000587063459 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1Br ZINC000587063475 JK Annotated Anodyne Cc1onc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063498 JK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063565 JK Annotated Anodyne Cc1onc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063575 JK Annotated Bother Cc1onc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063580 JK Annotated Reactive Cc1onc(-c2nc3c(Cl)cc(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063621 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063647 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063669 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063673 JK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063684 JK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587063702 JK Annotated Anodyne Cc1onc(-c2nc3c(I)cccc3[nH]2)c1COc1ccccc1Cl ZINC000587063712 JK Annotated Anodyne CCCCCOc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587063719 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1Br ZINC000587063722 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063806 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063817 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1OC ZINC000587063823 JK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063825 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587063834 JK Annotated Anodyne O=c1cccc(-c2nc3cc(F)c(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063846 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063856 JK Annotated Anodyne O=c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1CCOc1ccccc1Cl ZINC000587063869 JK Annotated Bother Clc1ccccc1OCCn1c(-c2nc3cncc(Br)c3[nH]2)cc2ccccc21 ZINC000587063874 JK Annotated Anodyne O=c1cccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063876 JK Annotated Anodyne O=c1cccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063878 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc2ccccc21 ZINC000587063882 JK Annotated Anodyne O=c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063883 JK Annotated Bother Cc1ccc2c(ccc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c32)n1 ZINC000587063892 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587063893 JK Annotated Bother Nc1ccc(-c2ccc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3c2)cc1N ZINC000587063894 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063901 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1-n1cccn1 ZINC000587063917 JK Annotated Anodyne O=c1cccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063919 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(Br)nc3[nH]2)cc2ccccc21 ZINC000587063924 JK Annotated Anodyne O=c1cccc(-c2nc3c(Br)cc(F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063927 JK Annotated Anodyne O=c1cccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063932 JK Annotated Anodyne O=c1cccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063935 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587063936 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1 ZINC000587063942 JK Annotated Anodyne N#Cc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1C(F)(F)F ZINC000587063949 JK Annotated Mild FC(F)(F)Oc1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587063956 JK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063972 JK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587063973 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1C ZINC000587063977 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1F ZINC000587063979 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063980 JK Annotated Anodyne O=c1cccc(-c2nc3c(Br)c(F)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063981 JK Annotated Anodyne O=c1cccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063989 JK Annotated Anodyne O=c1cccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063990 JK Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063991 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587063995 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccnc(Br)c3[nH]2)cc2ccccc21 ZINC000587063996 JK Annotated Anodyne Fc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1Br ZINC000587064004 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl ZINC000587064005 JK Annotated Bother Fc1cnc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 ZINC000587064006 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1C(F)(F)F ZINC000587064008 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587064009 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(Br)ncc3[nH]2)cc2ccccc21 ZINC000587064030 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl ZINC000587064032 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc2ccccc21 ZINC000587064035 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc2ccccc21 ZINC000587064044 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064046 JK Annotated Anodyne O=c1cccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064048 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587064051 JK Annotated Anodyne O=c1cccc(-c2nc3c(F)c(Br)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064052 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3c2)cc1 ZINC000587064056 JK Annotated Clean Clc1ccccc1OCCn1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc2ccccc21 ZINC000587064064 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064065 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064066 JK Annotated Anodyne Cc1onc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587064083 JK Annotated Bother FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064112 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064114 JK Annotated Anodyne Sc1nc(S)c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 ZINC000587064115 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064119 JK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064126 JK Annotated Anodyne O=c1cccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064132 JK Annotated Anodyne O=c1cccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064155 JK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc5ccccc5n4CCOc4ccccc4Cl)nc3cc2N1 ZINC000587064171 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)o1 ZINC000587064173 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc2ccccc21 ZINC000587064186 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3nc(Br)c[nH]c-3n2)cc2ccccc21 ZINC000587064189 JK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064194 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064210 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587064211 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064223 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064228 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064257 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c(F)c1Nc1ccccc1 ZINC000587064274 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 ZINC000587064288 JK Annotated Reactive Clc1ccccc1OCCn1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc2ccccc21 ZINC000587064290 JK Annotated Bother CCCCCOc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064292 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064317 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064334 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc2ccccc21 ZINC000587064335 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncc(I)cc3[nH]2)o1 ZINC000587064337 JK Annotated Anodyne COc1cnc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Cl ZINC000587064353 JK Annotated Reactive FC(F)(F)c1ncc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc-2[nH]1 ZINC000587064356 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587064397 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c(C)c1Cl ZINC000587064406 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1COc1ccccc1Cl ZINC000587064415 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587064427 JK Annotated Anodyne O=c1cccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064435 JK Annotated Anodyne O=C1CCc2cc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3cc2N1 ZINC000587064447 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc2ccccc21 ZINC000587064456 JK Annotated Bother N#Cc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587064460 JK Annotated Mild Cc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587064466 JK Annotated Anodyne Clc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl ZINC000587064482 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587064485 JK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064491 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 ZINC000587064497 JK Annotated Anodyne Clc1cc(Cl)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064505 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064506 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c(C)c1Cl ZINC000587064513 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc2ccccc21 ZINC000587064531 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587064534 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064545 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)c(C)c1Cl ZINC000587064608 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064661 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064683 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc21 ZINC000587064706 JK Annotated Clean FC(F)(F)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064718 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587064749 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587064765 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587064785 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064815 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(Br)cnc3[nH]2)cc2ccccc21 ZINC000587064816 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4c(C=O)cc(Cl)cc4OC)[nH]c3c2)cc1 ZINC000587064827 JK Annotated Anodyne O=c1cccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064831 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1F ZINC000587064860 JK Annotated Bother O=c1cccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064888 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc2ccccc21 ZINC000587064890 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064896 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587064901 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587064903 JK Annotated Anodyne Clc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c(Cl)n1 ZINC000587064939 JK Annotated Anodyne COc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl ZINC000587064943 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc1-2 ZINC000587064956 JK Annotated Anodyne O=c1cccc(-c2nc3c(F)cc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064978 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(-n6nc(C)c(Cl)c6C)c5)[nH]c4c3)o2)cc1 ZINC000587064998 JK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc2ccccc21 ZINC000587065004 JK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1F ZINC000587065027 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)o1 ZINC000587065078 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587065083 JK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3cc2O1 ZINC000587065084 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)o1 ZINC000587065086 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587065164 JK Annotated Anodyne CCCOc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1Br ZINC000587065166 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c(C)c1Cl ZINC000587065194 JK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(I)cccc3[nH]2)o1 ZINC000587065213 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2cc1Br ZINC000587065231 JK Annotated Mild Cc1nn(-c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587065252 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587065254 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c(C)c1Cl ZINC000587065285 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587065333 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587065345 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c(C)c1Cl ZINC000587065347 JK Annotated Clean Clc1ccccc1OCc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1 ZINC000587065359 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587065368 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1Br ZINC000587065376 JK Annotated Anodyne CCCCOc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1Br ZINC000587065400 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587065426 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ncccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587065543 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 ZINC000587065547 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587065603 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587065609 JK Annotated Anodyne CCCCCOc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1Br ZINC000587065624 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587065625 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587065640 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1Br ZINC000587065645 JK Annotated Anodyne COC(=O)c1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587065652 JK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000587065675 JK Annotated Reactive COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587065677 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1Br ZINC000587065688 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COc5c(C=O)cc(Cl)cc5OC)[nH]c4c3)o2)cc1 ZINC000587065699 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587065712 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2cc1Br ZINC000587065714 JK Annotated Mild Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587065717 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587065731 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587065736 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587065761 JK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c(C)c1Cl ZINC000587065767 JK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587065798 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587065871 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587065883 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587065890 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c1 ZINC000587065898 JK Annotated Anodyne COC(=O)c1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587065925 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587065928 JK Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587065930 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587065934 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587066005 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Cl)cc3OC)[nH]c2cc1Br ZINC000587066012 JK Annotated Mild Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587066019 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Br ZINC000587066054 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587066072 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587066073 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587066078 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587066096 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCCOc4ccc(Cl)cc4C)[nH]c3c2)cc1 ZINC000587066099 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587066120 JK Annotated Anodyne CCCCOc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587066151 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 ZINC000587066156 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Br ZINC000587066161 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587066207 JK Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587066216 JK Annotated Reactive Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(OCC(C)C)cc2[nH]1 ZINC000587066251 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCOc3ccc(Cl)cc3C)nc2c1 ZINC000587066318 JK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587066359 JK Annotated Anodyne CCCCCOc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587066447 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587066521 JK Annotated Mild CCOC(=O)c1cc(Br)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 ZINC000587066618 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Cl)cc3NC)[nH]c2cc1Br ZINC000587066633 JK Annotated Mild Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587066681 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587066797 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587066941 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c(F)c1Nc1ccccc1 ZINC000587066960 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587067037 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587067048 JK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587067056 JK Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587067139 JK Annotated Reactive Cc1cc(Cl)ccc1OCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587067189 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587067203 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587067230 JK Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587067334 JK Annotated Reactive Cc1cc(Cl)ccc1C#Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587067336 JK Annotated Mild O=C(O)c1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067446 JK Annotated Anodyne CCCOc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587067453 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587067456 JK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587067465 JK Annotated Reactive OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 ZINC000587067491 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587067499 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000587067501 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587067508 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067516 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067520 JK Annotated Bother Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587067600 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587067601 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587067607 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cn1 ZINC000587067615 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c21 ZINC000587067618 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c1 ZINC000587067631 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067636 JK Annotated Bother OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 ZINC000587067638 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 ZINC000587067681 JK Annotated Reactive Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587067684 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)c1 ZINC000587067707 JK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587067710 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587067730 JK Annotated Bother OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000587067731 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587067735 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587067742 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587067755 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587067759 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067773 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Oc5ccc(Cl)cc5C)[nH]c4c3)o2)cc1 ZINC000587067785 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587067796 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1 ZINC000587067807 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587067844 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587067852 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587067855 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587067859 JK Annotated Reactive CCCCCOc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587067862 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(I)cnc4[nH]3)c2)cc1 ZINC000587067864 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587067867 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587067871 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c1 ZINC000587067874 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Cl ZINC000587067876 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587067886 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587067890 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587067909 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cccc(I)c4[nH]3)cc2-c2ccco2)c1 ZINC000587067915 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(I)c4[nH]3)c2)cc1 ZINC000587067916 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587067918 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587067925 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000587067933 JK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 ZINC000587067936 JK Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1C(F)(F)F ZINC000587067948 JK Annotated Mild Cc1c(Br)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587067949 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3c2)cc1N ZINC000587067964 JK Annotated Anodyne Fc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1Br ZINC000587067975 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587067976 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587067979 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1Br ZINC000587067982 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 ZINC000587067992 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587068013 JK Annotated Bother C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587068031 JK Annotated Anodyne CCCCOc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587068037 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587068042 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587068049 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587068057 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587068117 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587068123 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587068125 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587068129 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587068142 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587068145 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068150 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068153 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068157 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068169 JK Annotated Reactive FC(F)(F)C(F)(F)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cn1 ZINC000587068172 JK Annotated Anodyne Cc1nc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1Br ZINC000587068174 JK Annotated Anodyne Clc1cccc(-c2cc(-c3nc4c(Br)ncc(Br)c4[nH]3)n[nH]2)c1 ZINC000587068175 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068228 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068237 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068247 JK Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068268 JK Annotated Mild Cc1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068275 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068287 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3c2)cc1 ZINC000587068291 JK Annotated Clean COC(=O)c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c(F)c1Nc1ccccc1 ZINC000587068292 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2-c2ccco2)c1 ZINC000587068295 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068300 JK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068316 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1F ZINC000587068321 JK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068342 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2-c2ccco2)c1 ZINC000587068348 JK Annotated Bother Clc1cccc(-n2nc(-c3nc4ccc(I)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068354 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068362 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc-2[nH]1 ZINC000587068365 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068376 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068377 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587068470 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587068471 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587068473 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587068475 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587068494 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587068501 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587068502 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587068505 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1C ZINC000587068513 JK Annotated Anodyne Cc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068525 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587068527 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Cl ZINC000587068528 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587068529 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587068530 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587068531 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1Br ZINC000587068532 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1Br ZINC000587068537 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1Br ZINC000587068538 JK Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1Br ZINC000587068539 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587068567 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587068571 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587068572 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587068573 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587068574 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587068577 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc1-2 ZINC000587068584 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(I)cnc4[nH]3)cc2-c2ccco2)c1 ZINC000587068603 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068613 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587068643 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587068659 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587068662 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587068666 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068685 JK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068701 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068710 JK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587068745 JK Annotated Reactive NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587068750 JK Annotated Reactive FC(F)(F)Oc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587068751 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 ZINC000587068754 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068759 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587068804 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068816 JK Annotated Bother Fc1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068831 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587068857 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587068859 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587068887 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587068889 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587068916 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587068919 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587068939 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587068943 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1)C(F)(F)F ZINC000587068984 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1F ZINC000587068991 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1)C(F)(F)F ZINC000587068992 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1F ZINC000587068995 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587068996 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587069000 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587069010 JK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587069016 JK Annotated Clean Clc1ccc(CC/C(=C/c2nc3ccc(I)cc3[nH]2)c2ccccc2)cc1 ZINC000587069018 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(I)cc3[nH]2)c2ccccc2)cc1 ZINC000587069022 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069028 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069031 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cn1 ZINC000587069032 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cn1 ZINC000587069036 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069052 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069058 JK Annotated Anodyne Clc1cccc(-c2cc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)n[nH]2)c1 ZINC000587069059 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069061 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069063 JK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069066 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069069 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc2)cc1 ZINC000587069076 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc2)cc1 ZINC000587069081 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587069097 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587069098 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587069099 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587069100 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587069115 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069117 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069118 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069119 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587069120 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587069121 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587069122 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069123 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069125 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069128 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 ZINC000587069134 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 ZINC000587069135 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587069143 JK Annotated Anodyne Cc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069147 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587069148 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587069149 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587069150 JK Annotated Anodyne Cc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069151 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587069168 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587069170 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587069171 JK Annotated Bother Fc1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069172 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069173 JK Annotated Anodyne Cc1nc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1Br ZINC000587069174 JK Annotated Anodyne Cc1nc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1Br ZINC000587069175 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587069180 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587069184 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587069187 JK Annotated Bother Cc1c(Br)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069193 JK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069195 JK Annotated Anodyne Oc1c(Br)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069198 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069208 JK Annotated Anodyne Oc1c(Br)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069210 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069214 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587069217 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587069218 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587069220 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587069222 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587069254 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587069257 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587069258 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587069259 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587069269 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587069274 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587069277 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587069279 JK Annotated Bother NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587069286 JK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587069287 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CN)Cc5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587069288 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CN)Cc5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587069289 JK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(Cl)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587069370 JK Annotated Bother COC(=O)c1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069426 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069428 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587069446 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cncc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587069447 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587069478 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069484 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069486 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc12 ZINC000587069498 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc12 ZINC000587069499 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1cccc(Cl)c1 ZINC000587069500 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)ccnc2[nH]1)c1cccc(Cl)c1 ZINC000587069502 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc1-2 ZINC000587069515 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587069516 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(I)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587069518 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc1-2 ZINC000587069521 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069523 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)ncc2[nH]1)c1cccc(Cl)c1 ZINC000587069527 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1cccc(Cl)c1 ZINC000587069528 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069529 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587069546 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069547 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069548 JK Annotated Bother Fc1cc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1Br ZINC000587069557 JK Annotated Anodyne Fc1cc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1Br ZINC000587069558 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587069559 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069560 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069562 JK Annotated Bother CCCCCOc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587069576 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc-2[nH]1 ZINC000587069581 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc-2[nH]1 ZINC000587069585 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587069588 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587069591 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587069610 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cn1 ZINC000587069612 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cn1 ZINC000587069616 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587069623 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587069626 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587069631 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587069634 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069635 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587069636 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069637 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(I)cnc4[nH]3)c2)c1 ZINC000587069648 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587069649 JK Annotated Reactive FC(F)(F)Sc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587069670 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587069683 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4c(Br)cnc(Cl)c4[nH]3)cc2)c1 ZINC000587069684 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587069685 JK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587069686 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587069687 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587069688 JK Annotated Reactive CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587069692 JK Annotated Reactive Clc1cccc(COc2ccc(/C=C\c3nc4c(Br)cnc(Cl)c4[nH]3)cc2)c1 ZINC000587069695 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cccc(I)c3[nH]2)c2ccccc2)cc1 ZINC000587069712 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cccc(I)c3[nH]2)c2ccccc2)cc1 ZINC000587069713 JK Annotated Anodyne CCCOc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069728 JK Annotated Anodyne CCCOc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069729 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069759 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069768 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069769 JK Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069771 JK Annotated Mild CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587069797 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587069799 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587069800 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587069801 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587069811 JK Annotated Clean Clc1ccc(CC/C(=C\c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587069823 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587069824 JK Annotated Clean Clc1ccc(CC/C(=C/c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587069826 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587069828 JK Annotated Clean Nc1ccc(-c2ccc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)cc1N ZINC000587069829 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587069831 JK Annotated Clean Nc1ccc(-c2ccc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)cc1N ZINC000587069834 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587069861 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587069863 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587069864 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587069866 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587069868 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587069871 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587069948 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587069949 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587070009 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587070011 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070041 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587070042 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587070043 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070056 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587070069 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070073 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070074 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587070080 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 ZINC000587070082 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587070083 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 ZINC000587070084 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587070086 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587070108 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587070110 JK Annotated Anodyne Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587070122 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587070146 JK Annotated Anodyne Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587070147 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587070149 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587070152 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587070154 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 ZINC000587070173 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 ZINC000587070186 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070199 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070213 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000587070231 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000587070234 JK Annotated Anodyne Fc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1Br ZINC000587070241 JK Annotated Anodyne Fc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1Br ZINC000587070243 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(I)cnc3[nH]2)c2ccccc2)cc1 ZINC000587070248 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(I)cnc3[nH]2)c2ccccc2)cc1 ZINC000587070271 JK Annotated Anodyne Cc1c(Br)cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1C ZINC000587070284 JK Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1C ZINC000587070287 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)CC(=O)c5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587070326 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)CC(=O)c5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587070330 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587070337 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587070339 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cccc(Cl)c1 ZINC000587070383 JK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cccc(Cl)c1 ZINC000587070386 JK Annotated Bother FC(F)(F)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587070402 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587070404 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070417 JK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070420 JK Annotated Anodyne Cc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587070433 JK Annotated Anodyne Cc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587070436 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587070438 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)cc1N ZINC000587070445 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1cccc(Cl)c1 ZINC000587070448 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587070450 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1cccc(Cl)c1 ZINC000587070451 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)cc1N ZINC000587070452 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587070455 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587070460 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cccc(Cl)c1 ZINC000587070471 JK Annotated Anodyne Clc1cccc(-c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)n[nH]2)c1 ZINC000587070473 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587070474 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587070475 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cccc(Cl)c1 ZINC000587070478 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587070484 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587070486 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cc(Cl)cc(Br)c4[nH]3)cc2)c1 ZINC000587070524 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cc(Cl)cc(Br)c4[nH]3)cc2)c1 ZINC000587070530 JK Annotated Anodyne N#Cc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587070640 JK Annotated Mild N#Cc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587070641 JK Annotated Mild O=S(=O)(c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587070654 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587070655 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070660 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070661 JK Annotated Reactive Cc1c(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1C ZINC000587070670 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1C ZINC000587070671 JK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587070690 JK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587070691 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587070781 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587070782 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587070783 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587070784 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587070785 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587070786 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587070787 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587070788 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587070820 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587070824 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587070830 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587070831 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587070832 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587070833 JK Annotated Bother FC(F)(F)c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl ZINC000587070839 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl ZINC000587070854 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2)c1 ZINC000587070856 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2)c1 ZINC000587070864 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070916 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070937 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070941 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587070945 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070947 JK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587070948 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)cc1 ZINC000587070969 JK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)cc1 ZINC000587070977 JK Annotated Clean Clc1cccc(-c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)n[nH]2)c1 ZINC000587071015 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587071038 JK Annotated Clean CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587071051 JK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071052 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587071060 JK Annotated Clean CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587071065 JK Annotated Clean CC(C)CCOc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587071066 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587071068 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071069 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071071 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587071073 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587071077 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071079 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587071089 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587071095 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587071097 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071098 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071100 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071104 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071106 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071107 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071109 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071117 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071121 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071147 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071149 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587071161 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587071167 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587071169 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cccc(Cl)c1 ZINC000587071187 JK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cccc(Cl)c1 ZINC000587071189 JK Annotated Bother Cc1c(Br)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071205 JK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071208 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071216 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071235 JK Annotated Mild CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587071308 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587071309 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587071310 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587071311 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587071329 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587071330 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587071331 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587071332 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071354 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071355 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(I)cc4[nH]3)c2)c1 ZINC000587071356 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cccc(Cl)c1 ZINC000587071365 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cccc(Cl)c1 ZINC000587071371 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587071412 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587071413 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587071414 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587071415 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071418 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071424 JK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071434 JK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071436 JK Annotated Clean Fc1cnc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 ZINC000587071456 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 ZINC000587071465 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587071470 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587071472 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587071474 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587071475 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 ZINC000587071476 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 ZINC000587071477 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 ZINC000587071478 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 ZINC000587071480 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2)c1 ZINC000587071490 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071495 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071496 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2)c1 ZINC000587071498 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587071503 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587071505 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071507 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071510 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1cccc(Cl)c1 ZINC000587071529 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)nc2[nH]1)c1cccc(Cl)c1 ZINC000587071530 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4ccc(I)cc4[nH]3)cc2)c1 ZINC000587071533 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4ccc(I)cc4[nH]3)cc2)c1 ZINC000587071534 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071541 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071545 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc-2[nH]1 ZINC000587071561 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc-2[nH]1 ZINC000587071563 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071564 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071566 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cc(Br)cc(Cl)c4[nH]3)cc2)c1 ZINC000587071579 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cc(Br)cc(Cl)c4[nH]3)cc2)c1 ZINC000587071580 JK Annotated Anodyne Oc1c(Br)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071600 JK Annotated Anodyne Oc1c(Br)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071601 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587071626 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587071627 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587071628 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587071629 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587071658 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587071659 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587071660 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587071661 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587071662 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587071664 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587071665 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587071666 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071689 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071691 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1cccc(Cl)c1 ZINC000587071697 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(I)c2[nH]1)c1cccc(Cl)c1 ZINC000587071698 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587071720 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587071737 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587071738 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 ZINC000587071749 JK Annotated Reactive CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587071750 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587071751 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587071752 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071753 JK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071755 JK Annotated Bother Cc1nc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2cc1Br ZINC000587071765 JK Annotated Anodyne Cc1nc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2cc1Br ZINC000587071767 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587071789 JK Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587071792 JK Annotated Bother FC(F)(F)Sc1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071808 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071811 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)c1 ZINC000587071816 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cc(I)cnc4[nH]3)cc2)c1 ZINC000587071822 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cc(I)cnc4[nH]3)cc2)c1 ZINC000587071824 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071834 JK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071839 JK Annotated Reactive O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c21 ZINC000587071851 JK Annotated Clean Clc1cccc(COc2ccc(/C=C\c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2)c1 ZINC000587071862 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2)c1 ZINC000587071866 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1F ZINC000587071871 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1C ZINC000587071883 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1C ZINC000587071884 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1 ZINC000587071889 JK Annotated Bother Clc1cccc(COc2ccc(/C=C\c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1 ZINC000587071890 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071903 JK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071910 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071911 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071912 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071913 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1C ZINC000587071915 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1C ZINC000587071916 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1C ZINC000587071917 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1C ZINC000587071918 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587071920 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587071921 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587071922 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587071923 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587071949 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587071950 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587071951 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587071952 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071992 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccnc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071994 JK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587071999 JK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587072004 JK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587072005 JK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587072007 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072032 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072033 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1cccc(Cl)c1 ZINC000587072067 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1cccc(Cl)c1 ZINC000587072068 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072069 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072070 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072075 JK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000587072082 JK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000587072086 JK Annotated Bother Cc1c(Br)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 ZINC000587072088 JK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 ZINC000587072090 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072091 JK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072093 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072125 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072131 JK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587072142 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc1-2 ZINC000587072157 JK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc1-2 ZINC000587072158 JK Annotated Anodyne Cc1nc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Br ZINC000587072159 JK Annotated Anodyne Cc1nc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Br ZINC000587072160 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c1 ZINC000587072187 JK Annotated Bother Clc1cccc(COc2ccc(/C=C\c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c1 ZINC000587072188 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587072235 JK Annotated Mild CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587072236 JK Annotated Mild CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587072237 JK Annotated Mild CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587072238 JK Annotated Mild Cc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072298 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072299 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072300 JK Annotated Anodyne Cc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072301 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl ZINC000587072322 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl ZINC000587072323 JK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Br ZINC000587072347 JK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Br ZINC000587072348 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1F ZINC000587072382 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1F ZINC000587072384 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4c(Cl)c(Br)cnc4[nH]3)cc2)c1 ZINC000587072387 JK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4c(Cl)c(Br)cnc4[nH]3)cc2)c1 ZINC000587072389 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072391 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072392 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Cl ZINC000587072398 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cccc(Cl)c1 ZINC000587072449 JK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cccc(Cl)c1 ZINC000587072450 JK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587072505 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587072507 JK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587072533 JK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)CC1 ZINC000587072551 JK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)CC1 ZINC000587072553 JK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)CC1 ZINC000587072554 JK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)CC1 ZINC000587072556 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072561 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072568 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072576 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072591 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587072604 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587072609 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc-2[nH]1 ZINC000587072610 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587072612 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587072614 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072626 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072627 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000587072628 JK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 ZINC000587072629 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587072660 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587072661 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587072662 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587072663 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587072707 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587072708 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587072709 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587072710 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587072711 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587072712 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587072713 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 ZINC000587072714 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587072736 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587072737 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587072738 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587072739 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587072758 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587072759 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587072760 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587072761 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587072780 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587072781 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587072782 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587072783 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587072789 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587072790 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587072791 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587072792 JK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587072819 JK Annotated Reactive CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587072840 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587072841 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587072842 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587072843 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587072844 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587072845 JK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587072846 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587072847 JK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587072848 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587072849 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587072850 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587072851 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587072854 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587072855 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587072856 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587072857 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072875 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072876 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072877 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072878 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587072882 JK Annotated Mild CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587072883 JK Annotated Mild CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587072884 JK Annotated Mild CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587072885 JK Annotated Mild CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587072898 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587072899 JK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587072900 JK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587072901 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587073003 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587073006 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587073010 JK Annotated Anodyne COc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587073015 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073016 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587073019 JK Annotated Anodyne COc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Cl ZINC000587073020 JK Annotated Anodyne Cc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Cl ZINC000587073025 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587073036 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587073061 JK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587073065 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587073067 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073132 JK Annotated Anodyne Cc1c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073145 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073162 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587073168 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587073169 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587073170 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587073182 JK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587073184 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587073190 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587073196 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587073201 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587073202 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587073203 JK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c32)n1 ZINC000587073214 JK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073219 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587073234 JK Annotated Anodyne Cc1cc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587073241 JK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587073244 JK Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073248 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587073250 JK Annotated Anodyne COc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587073252 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587073253 JK Annotated Anodyne CCCOc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587073260 JK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2cc1OC ZINC000587073276 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nnn(Cc6ccc(Cl)cc6)c5C)[nH]c4c3)o2)cc1 ZINC000587073277 JK Annotated Anodyne CCCCOc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587073338 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073390 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073409 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc2)cc1 ZINC000587073495 JK Annotated Bother Clc1ccc(CC/C(=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc2)cc1 ZINC000587073496 JK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587073500 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587073517 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587073521 JK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587073525 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073529 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073530 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2)cc1 ZINC000587073546 JK Annotated Bother Clc1ccc(CC/C(=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2)cc1 ZINC000587073547 JK Annotated Bother Cc1cnc(Cl)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc12 ZINC000587073550 JK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587073561 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2)cc1 ZINC000587073568 JK Annotated Bother Clc1ccc(CC/C(=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2)cc1 ZINC000587073569 JK Annotated Bother Cc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073581 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587073585 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587073586 JK Annotated Anodyne C=CCc1cccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073592 JK Annotated Mild COC(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587073602 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073607 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073612 JK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587073646 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587073668 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587073699 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 ZINC000587073705 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587073710 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073734 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587073791 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587073794 JK Annotated Anodyne CC(C)Oc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073796 JK Annotated Anodyne COc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1OC ZINC000587073800 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000587073829 JK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587073833 JK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587073838 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587073849 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 ZINC000587073857 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587073860 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc2)cc1 ZINC000587073861 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 ZINC000587073864 JK Annotated Reactive Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587073867 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc2)cc1 ZINC000587073868 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 ZINC000587073869 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587073870 JK Annotated Anodyne CSc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073880 JK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587073889 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073897 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587073899 JK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073904 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587073911 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2ccccc2)cc1 ZINC000587073921 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2ccccc2)cc1 ZINC000587073926 JK Annotated Anodyne COC(=O)c1cccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073931 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073953 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587073961 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587073964 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587073970 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587073972 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073978 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073979 JK Annotated Anodyne Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073980 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2)cc1 ZINC000587074016 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2)cc1 ZINC000587074018 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587074050 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587074051 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074055 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587074070 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587074071 JK Annotated Anodyne CCCCCOc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587074072 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587074117 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587074131 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587074132 JK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc2)cc1 ZINC000587074133 JK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc2)cc1 ZINC000587074134 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587074135 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c21 ZINC000587074168 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c21 ZINC000587074171 JK Annotated Clean Cc1c(Cl)ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587074175 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587074181 JK Annotated Bother Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587074182 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587074183 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cccc5-c5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587074189 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587074191 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587074195 JK Annotated Mild CC(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074227 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587074231 JK Annotated Anodyne Clc1ccc(-c2cnccc2-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000587074246 JK Annotated Anodyne CCCCCOc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587074253 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587074267 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Br ZINC000587074273 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587074276 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587074279 JK Annotated Anodyne COC(=O)c1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587074287 JK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587074319 JK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587074320 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587074384 JK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587074386 JK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587074387 JK Annotated Anodyne Clc1ccc(CC2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)cc1 ZINC000587074395 JK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587074401 JK Annotated Anodyne O=C(O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074405 JK Annotated Anodyne O=C(O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074406 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587074414 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587074415 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587074424 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587074432 JK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074433 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1F ZINC000587074446 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1F ZINC000587074447 JK Annotated Anodyne Fc1c(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1F ZINC000587074471 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587074475 JK Annotated Anodyne Fc1c(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1F ZINC000587074479 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587074485 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587074488 JK Annotated Anodyne Oc1nc2cc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3cc2[nH]1 ZINC000587074495 JK Annotated Anodyne Oc1nc2cc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3cc2[nH]1 ZINC000587074497 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587074517 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587074540 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587074548 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587074550 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587074553 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587074554 JK Annotated Mild N#Cc1nc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2nc1C#N ZINC000587074560 JK Annotated Mild N#Cc1nc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2nc1C#N ZINC000587074571 JK Annotated Mild Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587074586 JK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587074594 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587074601 JK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587074625 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Br ZINC000587074650 JK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1Cl ZINC000587074655 JK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1Cl ZINC000587074658 JK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1-n1cccn1 ZINC000587074661 JK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1-n1cccn1 ZINC000587074662 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1[N+](=O)[O-] ZINC000587074674 JK Annotated Bother O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1[N+](=O)[O-] ZINC000587074676 JK Annotated Bother Cc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074683 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074727 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587074744 JK Annotated Anodyne Cc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074779 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587074789 JK Annotated Anodyne Cc1c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074790 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587074791 JK Annotated Anodyne O=C(O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074831 JK Annotated Anodyne O=C(O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074832 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074833 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074834 JK Annotated Anodyne O=C1CCc2cc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3cc2N1 ZINC000587074857 JK Annotated Anodyne O=C1CCc2cc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3cc2N1 ZINC000587074858 JK Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074869 JK Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074870 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000587074883 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000587074884 JK Annotated Anodyne Fc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c(F)c1F ZINC000587074885 JK Annotated Anodyne Fc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c(F)c1F ZINC000587074886 JK Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074891 JK Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074892 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587074893 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587074894 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587074935 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587074945 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587074952 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C=C(c6ccc(Cl)cc6)NO5)[nH]c4c3)o2)cc1 ZINC000587074987 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C=C(c6ccc(Cl)cc6)NO5)[nH]c4c3)o2)cc1 ZINC000587074990 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075012 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587075063 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587075085 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587075127 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075134 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587075146 JK Annotated Anodyne Cc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075167 JK Annotated Anodyne CCCCOc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587075180 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587075186 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587075210 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587075211 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587075216 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587075217 JK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075218 JK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075219 JK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075239 JK Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075240 JK Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587075246 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587075247 JK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587075262 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587075263 JK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587075266 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075274 JK Annotated Anodyne CC(C)COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587075281 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c(F)c1Nc1ccccc1 ZINC000587075288 JK Annotated Anodyne NC(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075290 JK Annotated Anodyne NC(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075291 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075294 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587075297 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075300 JK Annotated Anodyne Sc1nc(S)c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587075327 JK Annotated Anodyne Sc1nc(S)c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587075332 JK Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587075335 JK Annotated Bother CCCCOc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1Br ZINC000587075336 JK Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587075341 JK Annotated Bother CC(C)Oc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587075367 JK Annotated Anodyne N#Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1C#N ZINC000587075375 JK Annotated Mild N#Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1C#N ZINC000587075378 JK Annotated Mild Cc1onc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075400 JK Annotated Anodyne Cc1onc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075432 JK Annotated Bother Cc1onc(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075446 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075477 JK Annotated Anodyne CCCOc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587075493 JK Annotated Anodyne Cc1c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075504 JK Annotated Anodyne Cc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075512 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587075521 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587075524 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587075547 JK Annotated Anodyne Cc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075577 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075623 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587075645 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587075651 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnn(-c6ccc(Cl)cc6)c5C)[nH]c4c3)o2)cc1 ZINC000587075664 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075670 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587075675 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587075680 JK Annotated Anodyne COC(=O)c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587075699 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587075704 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075735 JK Annotated Mild N#Cc1cc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075736 JK Annotated Mild O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587075737 JK Annotated Bother O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587075739 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(-c6ccc(Cl)cc6)nc5C)[nH]c4c3)o2)cc1 ZINC000587075762 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587075775 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 ZINC000587075804 JK Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075842 JK Annotated Bother O=[N+]([O-])c1cncc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075845 JK Annotated Bother Clc1ccc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CCC2)cc1 ZINC000587075857 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587075863 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587075869 JK Annotated Anodyne Cc1onc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075882 JK Annotated Bother Cc1c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075893 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587075917 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 ZINC000587075937 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1OC ZINC000587075940 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587075942 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1OC ZINC000587075948 JK Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4c(Br)ccc(Br)c4[nH]3)o2)cc1 ZINC000587075949 JK Annotated Anodyne Cc1onc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075950 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587075953 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587075967 JK Annotated Anodyne Cc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075972 JK Annotated Anodyne Cc1onc(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075983 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587076003 JK Annotated Anodyne CC(C)Oc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587076025 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587076038 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 ZINC000587076042 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076078 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076080 JK Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cc(Br)c(Br)cc4[nH]3)o2)cc1 ZINC000587076128 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587076179 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587076180 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076219 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587076228 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587076265 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587076275 JK Annotated Anodyne Cc1onc(-c2nc3c(Cl)cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076313 JK Annotated Anodyne Cc1onc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076347 JK Annotated Reactive CCOC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076371 JK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076378 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076386 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076387 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587076389 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587076391 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587076422 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587076423 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587076427 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587076431 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076437 JK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076442 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587076446 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587076447 JK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587076448 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587076449 JK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587076451 JK Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc(Br)c(Br)cc4[nH]3)ON2)cc1 ZINC000587076470 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076472 JK Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc(Br)c(Br)cc4[nH]3)ON2)cc1 ZINC000587076473 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076475 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587076485 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587076486 JK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc-2[nH]1 ZINC000587076505 JK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc-2[nH]1 ZINC000587076507 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076515 JK Annotated Anodyne Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076526 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076529 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587076530 JK Annotated Anodyne CSc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076543 JK Annotated Anodyne CSc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076549 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587076565 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1 ZINC000587076577 JK Annotated Anodyne FC1(F)Oc2cc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3cc2O1 ZINC000587076584 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076585 JK Annotated Anodyne FC1(F)Oc2cc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3cc2O1 ZINC000587076595 JK Annotated Anodyne Clc1ccc(-c2cnccc2-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587076601 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587076612 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587076618 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076625 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587076637 JK Annotated Anodyne CCCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587076649 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587076694 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076697 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587076705 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587076717 JK Annotated Anodyne FC(F)(F)c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587076728 JK Annotated Anodyne CCCCCOc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587076735 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587076748 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587076789 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587076804 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 ZINC000587076808 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587076817 JK Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)nn2)cc1 ZINC000587076820 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076823 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076832 JK Annotated Anodyne Cc1onc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1COc1ccc(Cl)cc1 ZINC000587076833 JK Annotated Clean Cc1onc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076842 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)ncc(Br)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076849 JK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076886 JK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076887 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1Br ZINC000587076892 JK Annotated Anodyne Cc1onc(-c2nc3c(I)cccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076893 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587076896 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1 ZINC000587076919 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076930 JK Annotated Anodyne N=c1[nH]c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc-2c(Cl)[nH]1 ZINC000587076972 JK Annotated Anodyne N=c1[nH]c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc-2c(Cl)[nH]1 ZINC000587076974 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587077036 JK Annotated Anodyne COC(=O)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587077053 JK Annotated Anodyne COC(=O)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587077061 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587077095 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587077096 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587077097 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587077099 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc21 ZINC000587077100 JK Annotated Clean Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587077125 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587077145 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587077146 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077156 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077157 JK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077169 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587077171 JK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077174 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1C ZINC000587077176 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587077177 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587077183 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587077198 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077227 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077228 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077244 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077245 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1C ZINC000587077311 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077320 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077321 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c32)n1 ZINC000587077332 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c32)n1 ZINC000587077334 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587077335 JK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1C(F)(F)F ZINC000587077359 JK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1C(F)(F)F ZINC000587077362 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587077369 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587077371 JK Annotated Anodyne CCCCOc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587077378 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077384 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077387 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077393 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077396 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077397 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077399 JK Annotated Anodyne COC(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077408 JK Annotated Anodyne COC(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077410 JK Annotated Anodyne O=C1COc2cc3[nH]c(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)nc3cc2N1 ZINC000587077420 JK Annotated Anodyne O=C1COc2cc3[nH]c(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)nc3cc2N1 ZINC000587077425 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Br ZINC000587077451 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587077465 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587077470 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587077475 JK Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077482 JK Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077483 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000587077488 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000587077490 JK Annotated Anodyne OCCc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077493 JK Annotated Anodyne OCCc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077496 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077498 JK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587077499 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077500 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587077538 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587077570 JK Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)ON2)cc1 ZINC000587077571 JK Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)ON2)cc1 ZINC000587077572 JK Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4c(Br)ccc(Br)c4[nH]3)ON2)cc1 ZINC000587077607 JK Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4c(Br)ccc(Br)c4[nH]3)ON2)cc1 ZINC000587077608 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000587077623 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000587077624 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077633 JK Annotated Mild N#Cc1nc(Cl)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077634 JK Annotated Mild O=[N+]([O-])c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077635 JK Annotated Bother O=[N+]([O-])c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077636 JK Annotated Bother COC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1OC ZINC000587077653 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1OC ZINC000587077654 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587077655 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587077656 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587077668 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587077669 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587077670 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587077671 JK Annotated Anodyne O=C(O)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587077683 JK Annotated Anodyne O=C(O)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587077684 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077692 JK Annotated Bother O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077696 JK Annotated Bother O=C(O)c1cc(F)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077698 JK Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077700 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077714 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077717 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587077718 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587077731 JK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587077738 JK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587077740 JK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077781 JK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077782 JK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077783 JK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077784 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077797 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077798 JK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077804 JK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077806 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587077812 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587077815 JK Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587077818 JK Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587077820 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587077838 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587077839 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C#N)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077842 JK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C#N)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077844 JK Annotated Mild Cc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1[N+](=O)[O-] ZINC000587077857 JK Annotated Bother Cc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1[N+](=O)[O-] ZINC000587077858 JK Annotated Bother FC(F)(F)c1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077859 JK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077860 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587077864 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587077868 JK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587077869 JK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077872 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077874 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587077876 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587077877 JK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587077879 JK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587077880 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)c(C)c(C)c4[nH]3)c(Cl)cc12 ZINC000587077901 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)c(C)c(C)c4[nH]3)c(Cl)cc12 ZINC000587077903 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587077904 JK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587077905 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587077906 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077912 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077916 JK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Br)cnc(Br)c3[nH]1)N2 ZINC000587077929 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077940 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077942 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(C)c(Br)cnc4[nH]3)c(Cl)cc12 ZINC000587077944 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(C)c(Br)cnc4[nH]3)c(Cl)cc12 ZINC000587077946 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)OC)c(OC)c4[nH]3)c(Cl)cc12 ZINC000587077958 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)OC)c(OC)c4[nH]3)c(Cl)cc12 ZINC000587077959 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)cc4[nH]3)c(Cl)cc12 ZINC000587077960 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)cc4[nH]3)c(Cl)cc12 ZINC000587077961 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)nc4[nH]3)c(Cl)cc12 ZINC000587077967 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)nc4[nH]3)c(Cl)cc12 ZINC000587077968 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Cl)c(Cl)cnc4[nH]3)c(Cl)cc12 ZINC000587077969 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Cl)c(Cl)cnc4[nH]3)c(Cl)cc12 ZINC000587077970 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)OCCCO5)c(Cl)cc12 ZINC000587077973 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)OCCCO5)c(Cl)cc12 ZINC000587077974 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587077976 JK Annotated Clean COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587077983 JK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587077984 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5Nc6ccc(Cl)cc6[C@H]6C=CC[C@H]65)[nH]c4c3)o2)cc1 ZINC000587077987 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587077989 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587077990 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cnc4[nH]3)c(Cl)cc12 ZINC000587077993 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cnc4[nH]3)c(Cl)cc12 ZINC000587077994 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078005 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078006 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078007 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078008 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078017 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078018 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078020 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Br)ccnc4[nH]3)c(Cl)cc12 ZINC000587078023 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Br)ccnc4[nH]3)c(Cl)cc12 ZINC000587078024 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078026 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078027 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587078047 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Br)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078048 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Br)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078049 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)c(C)c4[nH]3)c(Cl)cc12 ZINC000587078056 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)c(C)c4[nH]3)c(Cl)cc12 ZINC000587078057 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078066 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078067 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078072 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078073 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(SC(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078077 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(SC(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078078 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078081 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078082 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078091 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cncc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078092 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587078106 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(OC(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078116 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(OC(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078117 JK Annotated Anodyne CCCOc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078136 JK Annotated Clean O=S(=O)(c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1)C(F)(F)F ZINC000587078139 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c5ccccc5c5ccccc5c4[nH]3)c(Cl)cc12 ZINC000587078140 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c5ccccc5c5ccccc5c4[nH]3)c(Cl)cc12 ZINC000587078141 JK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587078142 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)ncc4[nH]3)c(Cl)cc12 ZINC000587078143 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)ncc4[nH]3)c(Cl)cc12 ZINC000587078144 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)CC)cc4[nH]3)c(Cl)cc12 ZINC000587078164 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)CC)cc4[nH]3)c(Cl)cc12 ZINC000587078165 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)c(C)nc4[nH]3)c(Cl)cc12 ZINC000587078169 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)c(C)nc4[nH]3)c(Cl)cc12 ZINC000587078170 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078174 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078175 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078208 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078209 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078214 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Oc5ccccc5)cc4[nH]3)c(Cl)cc12 ZINC000587078229 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Oc5ccccc5)cc4[nH]3)c(Cl)cc12 ZINC000587078230 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)OCC)cc4[nH]3)c(Cl)cc12 ZINC000587078231 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)OCC)cc4[nH]3)c(Cl)cc12 ZINC000587078232 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)nc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078233 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)nc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078234 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Cl)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078258 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Cl)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078259 JK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(I)cnc(Cl)c3[nH]1)N2 ZINC000587078262 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078269 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078270 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(Cl)cc12 ZINC000587078275 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(Cl)cc12 ZINC000587078276 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)c(O)c4[nH]3)c(Cl)cc12 ZINC000587078278 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)c(O)c4[nH]3)c(Cl)cc12 ZINC000587078279 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)c(Cl)cc12 ZINC000587078282 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)c(Cl)cc12 ZINC000587078283 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078296 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078297 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(F)c(Br)c4[nH]3)c(Cl)cc12 ZINC000587078317 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(F)c(Br)c4[nH]3)c(Cl)cc12 ZINC000587078318 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078331 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078332 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(Cl)cc12 ZINC000587078335 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(Cl)cc12 ZINC000587078337 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(CC(=O)OCC)cc4[nH]3)c(Cl)cc12 ZINC000587078362 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(CC(=O)OCC)cc4[nH]3)c(Cl)cc12 ZINC000587078364 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587078369 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078379 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078380 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078390 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078391 JK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078393 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078396 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Sc5ccccc5)cc4[nH]3)c(Cl)cc12 ZINC000587078419 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Sc5ccccc5)cc4[nH]3)c(Cl)cc12 ZINC000587078421 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078428 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078430 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587078433 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c21 ZINC000587078441 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(OCc5ccccc5)c4[nH]3)c(Cl)cc12 ZINC000587078451 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(OCc5ccccc5)c4[nH]3)c(Cl)cc12 ZINC000587078452 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(OCCN(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078468 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(OCCN(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078469 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078480 JK Annotated Clean FC(F)(F)Oc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078499 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(Cl)cc12 ZINC000587078502 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(Cl)cc12 ZINC000587078503 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(Cl)cc12 ZINC000587078504 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(Cl)cc12 ZINC000587078505 JK Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078509 JK Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Br)c(Br)cc3[nH]1)N2 ZINC000587078524 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587078527 JK Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Br)ccc(Br)c3[nH]1)N2 ZINC000587078534 JK Annotated Clean CC(C)Oc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078535 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Cl)c(Br)cnc4[nH]3)c(Cl)cc12 ZINC000587078538 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Cl)c(Br)cnc4[nH]3)c(Cl)cc12 ZINC000587078539 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(Cl)cc12 ZINC000587078545 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(Cl)cc12 ZINC000587078546 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078552 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)c(Cl)cc12 ZINC000587078560 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)c(Cl)cc12 ZINC000587078561 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(CN5CCOCC5)cc4[nH]3)c(Cl)cc12 ZINC000587078567 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(CN5CCOCC5)cc4[nH]3)c(Cl)cc12 ZINC000587078568 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(Cl)cc12 ZINC000587078570 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(Cl)cc12 ZINC000587078571 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078583 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(Cl)cc12 ZINC000587078586 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(Cl)cc12 ZINC000587078587 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078588 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078589 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078601 JK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)c(Cl)nc4[nH]3)c(Cl)cc12 ZINC000587078603 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)c(Cl)nc4[nH]3)c(Cl)cc12 ZINC000587078604 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc(F)c4[nH]3)c(Cl)cc12 ZINC000587078605 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc(F)c4[nH]3)c(Cl)cc12 ZINC000587078606 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc(C)c4[nH]3)c(Cl)cc12 ZINC000587078614 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc(C)c4[nH]3)c(Cl)cc12 ZINC000587078615 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c(Cl)cc12 ZINC000587078623 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c(Cl)cc12 ZINC000587078624 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078625 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078626 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccnc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078638 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccnc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078639 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)c(Cl)cc12 ZINC000587078642 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)c(Cl)cc12 ZINC000587078643 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(Cl)cc12 ZINC000587078651 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(Cl)cc12 ZINC000587078652 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078655 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078656 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078659 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078660 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(Cl)cc12 ZINC000587078672 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(Cl)cc12 ZINC000587078673 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)c(C(=O)OC)cc4[nH]3)c(Cl)cc12 ZINC000587078680 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)c(C(=O)OC)cc4[nH]3)c(Cl)cc12 ZINC000587078681 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(F)cnc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078696 JK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(F)cnc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078697 JK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078704 JK Annotated Bother Cc1onc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078783 JK Annotated Bother CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)n1 ZINC000587078799 JK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)n1 ZINC000587078800 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587078861 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587078863 JK Annotated Anodyne Cc1onc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078881 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587078940 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587078958 JK Annotated Anodyne CCCCOc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587078959 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587078989 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587078990 JK Annotated Anodyne C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079012 JK Annotated Reactive C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079015 JK Annotated Reactive Cc1onc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079056 JK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587079216 JK Annotated Clean N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587079226 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587079227 JK Annotated Anodyne Cc1onc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079375 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(Cn5ccc6ccc(Cl)cc65)[nH]c4c3)o2)cc1 ZINC000587079632 JK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)N2 ZINC000587079643 JK Annotated Clean N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587079661 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587079662 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587079702 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587079705 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587079722 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587079826 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587079833 JK Annotated Mild CCCCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587079843 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587079846 JK Annotated Anodyne Cc1onc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079981 JK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 ZINC000587080023 JK Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587080059 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1 ZINC000587080069 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1 ZINC000587080086 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc12 ZINC000587080124 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587080134 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080144 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080146 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080168 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080169 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1Cl ZINC000587080185 JK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587080225 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587080236 JK Annotated Reactive Nc1ccc(Oc2ccc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc3c2)cc1 ZINC000587080256 JK Annotated Clean Cc1onc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080265 JK Annotated Reactive CC(C)COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080271 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080273 JK Annotated Anodyne Clc1ccc2ccn(Cc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2c1 ZINC000587080313 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2cc1Br ZINC000587080316 JK Annotated Mild Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080317 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2cc1Br ZINC000587080318 JK Annotated Mild CCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587080343 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587080355 JK Annotated Clean FC(F)(F)c1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080404 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080435 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080456 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080461 JK Annotated Bother CCCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587080490 JK Annotated Anodyne Clc1cnn2c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587080502 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2cccc(Cl)c2n1 ZINC000587080504 JK Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1C(F)(F)F ZINC000587080505 JK Annotated Mild Oc1ccccc1-c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080508 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587080509 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587080552 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587080554 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587080578 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587080579 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587080627 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587080628 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587080685 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587080686 JK Annotated Anodyne Cc1onc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080719 JK Annotated Bother Cc1nc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2cc1Br ZINC000587080735 JK Annotated Anodyne O=C(CCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587080737 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc21 ZINC000587080740 JK Annotated Clean Clc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080790 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(Br)nc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080797 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2cccc(Cl)c2n1 ZINC000587080843 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587080875 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587080876 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2cc1Br ZINC000587080881 JK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2cc1Br ZINC000587080882 JK Annotated Mild FC(F)(F)Oc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Cl ZINC000587080886 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3c2)cc1 ZINC000587080902 JK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587080915 JK Annotated Reactive CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587080916 JK Annotated Reactive Oc1ccccc1-c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080946 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5c[nH]c6cc(Cl)ccc56)[nH]c4c3)o2)cc1 ZINC000587080972 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)Cc5c[nH]c6cc(Cl)ccc56)[nH]c4c3)o2)cc1 ZINC000587080974 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 ZINC000587081002 JK Annotated Mild FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587081003 JK Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081004 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587081047 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587081078 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587081079 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587081221 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587081227 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587081231 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3c(Br)ccnc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081239 JK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587081248 JK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587081249 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081261 JK Annotated Anodyne Clc1cnn2c(-c3nc4c(I)cccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081269 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081297 JK Annotated Anodyne Clc1c(Br)cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081322 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCCC(=O)c5ccc(Cl)cn5)[nH]c4c3)o2)cc1 ZINC000587081332 JK Annotated Anodyne Clc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081333 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 ZINC000587081340 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081375 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1C ZINC000587081379 JK Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)O2 ZINC000587081446 JK Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)O2 ZINC000587081447 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587081470 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587081473 JK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587081474 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587081477 JK Annotated Anodyne O=C(CCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081532 JK Annotated Anodyne O=C(CCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081539 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(OCn6cc(Cl)cn6)c5)[nH]c4c3)o2)cc1 ZINC000587081550 JK Annotated Anodyne Cc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587081558 JK Annotated Anodyne O=C(CCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081579 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Br ZINC000587081597 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587081598 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081623 JK Annotated Bother FC(F)(F)C(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cn1 ZINC000587081633 JK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c1 ZINC000587081635 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587081639 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587081646 JK Annotated Anodyne Clc1cnn2c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081697 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587081774 JK Annotated Anodyne CC(C)COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Br ZINC000587081810 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081823 JK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1F ZINC000587081840 JK Annotated Anodyne Clc1ncc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081848 JK Annotated Anodyne COC(=O)c1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587081852 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081860 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587081868 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 ZINC000587081872 JK Annotated Reactive Oc1ccccc1-c1cc(-c2nc3nc(Br)c[nH]c-3n2)c2cccc(Cl)c2n1 ZINC000587081915 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 ZINC000587081932 JK Annotated Bother Oc1ccccc1-c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081947 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587081961 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587081983 JK Annotated Mild Oc1ccccc1-c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081999 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Br)c(C)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082005 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(C)c(Br)cnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082012 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(I)cnc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082014 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082019 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082022 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c3c2)cc1 ZINC000587082026 JK Annotated Clean FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc1-2 ZINC000587082027 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082038 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2c1 ZINC000587082040 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc-2[nH]1 ZINC000587082051 JK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587082091 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082128 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587082143 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3c2)NNC(=O)C1 ZINC000587082180 JK Annotated Anodyne Clc1cccc2c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587082201 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc-2[nH]1 ZINC000587082207 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082219 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082234 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082241 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082269 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082279 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587082286 JK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)c1 ZINC000587082295 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082323 JK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3c2)cc1 ZINC000587082329 JK Annotated Clean FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Cl ZINC000587082344 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082350 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587082359 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082362 JK Annotated Bother FC(F)(F)c1c(Br)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082364 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082368 JK Annotated Anodyne O=C(CCCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082377 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 ZINC000587082392 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082398 JK Annotated Anodyne Clc1cccc2c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587082399 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082403 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082406 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082410 JK Annotated Reactive Cc1ccc(-c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082426 JK Annotated Bother Clc1cccc2c(-c3nc4cc(I)cnc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587082433 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082436 JK Annotated Reactive FC(F)(F)Sc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082448 JK Annotated Anodyne O=C(CCCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587082477 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082495 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(I)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082496 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c3c2)NNC(=O)C1 ZINC000587082498 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)c(C)nc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082501 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082532 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082536 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082538 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587082539 JK Annotated Bother FC(F)(F)Oc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587082609 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082622 JK Annotated Anodyne O=C(CCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082630 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082646 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)cc(C)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082648 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082649 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082697 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082714 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587082716 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587082717 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)nc2[nH]1 ZINC000587082722 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)nc2[nH]1 ZINC000587082723 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587082729 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587082730 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587082733 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587082734 JK Annotated Bother Cc1ccc(-c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c3cccc(Cl)c3n2)o1 ZINC000587082744 JK Annotated Clean CCCCOc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Br ZINC000587082770 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587082776 JK Annotated Anodyne O=C(CCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587082779 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082835 JK Annotated Anodyne Clc1cccc2c(-c3nc4ccc(I)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587082838 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2c1 ZINC000587082842 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082845 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cn1 ZINC000587082869 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082880 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082920 JK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082966 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1OC ZINC000587082988 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2c1 ZINC000587083003 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083089 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587083094 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587083095 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083096 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083108 JK Annotated Bother Cc1nc2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2cc1Br ZINC000587083118 JK Annotated Anodyne Cc1nc2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2cc1Br ZINC000587083119 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587083134 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587083135 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083147 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083176 JK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)cc2[nH]1 ZINC000587083192 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)cc2[nH]1 ZINC000587083203 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccnc(Br)c2[nH]1 ZINC000587083233 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccnc(Br)c2[nH]1 ZINC000587083234 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(-c5ccc(C)o5)nc5c(Cl)cccc45)[nH]c3c2)NNC(=O)C1 ZINC000587083238 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083249 JK Annotated Mild Cc1ccc(-c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083255 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083259 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083262 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2nc(Br)c[nH]c-2n1 ZINC000587083270 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2nc(Br)c[nH]c-2n1 ZINC000587083271 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083274 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083275 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083277 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c(F)c1Nc1ccccc1 ZINC000587083278 JK Annotated Anodyne Clc1ccc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)nc2c1Cl ZINC000587083295 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(I)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083301 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083318 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c3cccc(Cl)c3n2)o1 ZINC000587083319 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(F)c(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083334 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587083336 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587083337 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)c(F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083341 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083344 JK Annotated Anodyne Clc1ccc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)nc2c1Cl ZINC000587083345 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083346 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083349 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083353 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)ncc2[nH]1 ZINC000587083364 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)ncc2[nH]1 ZINC000587083365 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587083367 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587083368 JK Annotated Anodyne Clc1ccc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)nc2c1Cl ZINC000587083369 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083375 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083376 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587083392 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587083393 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083399 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083404 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587083405 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587083406 JK Annotated Anodyne Clc1ccc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)nc2c1Cl ZINC000587083421 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(I)cnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083423 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083431 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587083435 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587083436 JK Annotated Anodyne Cc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083437 JK Annotated Anodyne Cc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083438 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587083448 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587083449 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 ZINC000587083451 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083452 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083467 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Br)ccnc2[nH]1 ZINC000587083470 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Br)ccnc2[nH]1 ZINC000587083471 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083472 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(Br)c2[nH]1 ZINC000587083479 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(Br)c2[nH]1 ZINC000587083480 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083486 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cccc(Cl)c3n2)o1 ZINC000587083494 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cncc(Br)c2[nH]1 ZINC000587083500 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cncc(Br)c2[nH]1 ZINC000587083501 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083505 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083511 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587083513 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587083514 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083515 JK Annotated Reactive Clc1ccc2ccc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)nc2c1Cl ZINC000587083517 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(I)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083526 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083537 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083544 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587083552 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587083554 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cnc2[nH]1 ZINC000587083561 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cnc2[nH]1 ZINC000587083563 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587083572 JK Annotated Anodyne Clc1nc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587083575 JK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083598 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587083601 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587083602 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083606 JK Annotated Anodyne Clc1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)ccc1-c1ccccc1 ZINC000587083611 JK Annotated Anodyne COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)n1 ZINC000587083612 JK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587083613 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587083615 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587083650 JK Annotated Anodyne Clc1nc(-c2nc3c(Br)ncc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587083745 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587083749 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587083757 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 ZINC000587083784 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083791 JK Annotated Anodyne Clc1nc(-c2nc3c(Cl)ncc(I)c3[nH]2)ccc1-c1ccccc1 ZINC000587083834 JK Annotated Anodyne COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(Cl)n1 ZINC000587083842 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 ZINC000587083865 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083871 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c(F)c1Nc1ccccc1 ZINC000587084011 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br ZINC000587084108 JK Annotated Mild FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587084273 JK Annotated Anodyne Clc1nc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)ccc1-c1ccccc1 ZINC000587084323 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587084344 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)nc6ccccc56)[nH]c4c3)o2)cc1 ZINC000587084405 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 ZINC000587084414 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(C5CCN(c6nccnc6Cl)CC5)[nH]c4c3)o2)cc1 ZINC000587084489 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 ZINC000587084598 JK Annotated Reactive CC(C)COc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587084657 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587084697 JK Annotated Reactive CCCCOc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587084708 JK Annotated Anodyne Clc1cccc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)n1 ZINC000587084767 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Br ZINC000587084845 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587084855 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 ZINC000587084874 JK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Br ZINC000587084920 JK Annotated Anodyne CC(C)CCOc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587084937 JK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)nn1 ZINC000587084949 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587084973 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br ZINC000587085053 JK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085063 JK Annotated Anodyne Clc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc2n1 ZINC000587085113 JK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)nn1 ZINC000587085118 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587085146 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Br ZINC000587085191 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085297 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587085310 JK Annotated Mild COC(=O)c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587085325 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587085358 JK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085367 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587085400 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085411 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587085430 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085442 JK Annotated Anodyne CCCCCOc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587085474 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6cc(Cl)ncc6c5)[nH]c4c3)o2)cc1 ZINC000587085484 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085526 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085532 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 ZINC000587085699 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 ZINC000587085719 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587085847 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6ccccc6c(Cl)n5)[nH]c4c3)o2)cc1 ZINC000587085872 JK Annotated Anodyne Clc1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc2ccccc12 ZINC000587085911 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587085924 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587085988 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587085989 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br ZINC000587085990 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587086030 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587086031 JK Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587086033 JK Annotated Reactive CCS(=O)(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086037 JK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086038 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587086045 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587086046 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587086049 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587086050 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587086125 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587086283 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587086284 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587086285 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587086286 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587086294 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587086295 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587086297 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587086298 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587086307 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587086308 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587086311 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587086312 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587086320 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587086321 JK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086333 JK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086334 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587086364 JK Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587086365 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587086383 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587086384 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587086391 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587086392 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587086428 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587086429 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587086440 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587086441 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587086460 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587086461 JK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587086504 JK Annotated Mild CCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587086537 JK Annotated Mild Cc1c(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1C ZINC000587086563 JK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)cc(F)c5[nH]4)(C3)C1)C2 ZINC000587086588 JK Annotated Anodyne CC(C)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587086598 JK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)cc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587086609 JK Annotated Anodyne Cc1c(F)ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587086610 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)ncc5[nH]4)(C3)C1)C2 ZINC000587086638 JK Annotated Anodyne Cc1cc(Cl)cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587086700 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587086722 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587086724 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587086740 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587086742 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587086743 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587086747 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587086750 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587086753 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587086801 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587086802 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587086803 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587086804 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587086805 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587086806 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587086812 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587086815 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587086819 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587086820 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587086821 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587086822 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587086864 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587086865 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587086879 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587086880 JK Annotated Bother FC(F)(F)c1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587086986 JK Annotated Anodyne FC(Br)(Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587086990 JK Annotated Anodyne COC(=O)c1cc2nc(C(F)(Br)Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000587087027 JK Annotated Anodyne Clc1[nH]c2ccccc2c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587087060 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587087062 JK Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587087070 JK Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587087074 JK Annotated Reactive Cc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1C ZINC000587087083 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587087089 JK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Cl)c(Cl)cnc5[nH]4)(C3)C1)C2 ZINC000587087095 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(F)cnc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087136 JK Annotated Anodyne CC(C)COc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587087166 JK Annotated Anodyne Cc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1F ZINC000587087172 JK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587087179 JK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)cnc5[nH]4)(C3)C1)C2 ZINC000587087205 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087243 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)c(F)cc5[nH]4)(C3)C1)C2 ZINC000587087244 JK Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587087274 JK Annotated Reactive CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587087275 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br ZINC000587087303 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br ZINC000587087307 JK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587087379 JK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587087380 JK Annotated Clean O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587087388 JK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cncc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087476 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc6c(c5[nH]4)CCCC6)(C3)C1)C2 ZINC000587087491 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)c(F)c(F)c5[nH]4)(C3)C1)C2 ZINC000587087502 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Cl)nc5[nH]4)(C3)C1)C2 ZINC000587087539 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 ZINC000587087554 JK Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587087566 JK Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587087568 JK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)c(Cl)cc5[nH]4)(C3)C1)C2 ZINC000587087588 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(F)cc(F)c5[nH]4)(C3)C1)C2 ZINC000587087595 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)nc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087601 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)(C3)C1)C2 ZINC000587087608 JK Annotated Bother O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)cnc5[nH]4)(C3)C1)C2 ZINC000587087621 JK Annotated Anodyne Cc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Cl ZINC000587087651 JK Annotated Anodyne CC(C)(C)c1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087678 JK Annotated Anodyne CC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087708 JK Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587087709 JK Annotated Reactive CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587087711 JK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(C(F)(F)F)cc5[nH]4)(C3)C1)C2 ZINC000587087726 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(F)c(F)c5[nH]4)(C3)C1)C2 ZINC000587087731 JK Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587087767 JK Annotated Reactive O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587087800 JK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587087835 JK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587087866 JK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587087869 JK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Cl)cc5[nH]4)(C3)C1)C2 ZINC000587087905 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(F)c(F)cc5[nH]4)(C3)C1)C2 ZINC000587087910 JK Annotated Anodyne Cc1c(Cl)ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087919 JK Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587087921 JK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccnc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087986 JK Annotated Anodyne COc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Cl ZINC000587087993 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 ZINC000587087998 JK Annotated Anodyne C=CCc1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587088003 JK Annotated Mild Cc1cc(F)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587088005 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)ncc5[nH]4)(C3)C1)C2 ZINC000587088028 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br ZINC000587088066 JK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 ZINC000587088073 JK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587088082 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587088084 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587088110 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587088112 JK Annotated Anodyne COc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1C ZINC000587088125 JK Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2cc1OC ZINC000587088150 JK Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2cc1OC ZINC000587088152 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587088192 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587088194 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587088198 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587088199 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088202 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088203 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587088222 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587088223 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587088231 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587088232 JK Annotated Anodyne CC(C)CCOc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587088240 JK Annotated Anodyne CCc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088249 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)c(Cl)nc5[nH]4)(C3)C1)C2 ZINC000587088281 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Cl)ccnc5[nH]4)(C3)C1)C2 ZINC000587088286 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088296 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088298 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088324 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088329 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(C(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587088361 JK Annotated Anodyne Cc1ccc2c(ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c32)n1 ZINC000587088377 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587088379 JK Annotated Anodyne Cc1cc(C)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587088383 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(F)c(F)c(F)c5[nH]4)(C3)C1)C2 ZINC000587088392 JK Annotated Anodyne COc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1F ZINC000587088402 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Cl)cnc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587088405 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587088458 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587088459 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587088493 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587088494 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587088498 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587088499 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(OC)nc3Cl)[nH]c2cc1Br ZINC000587088501 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587088505 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587088506 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587088524 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587088527 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587088538 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587088539 JK Annotated Anodyne CC(C)(C)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2n1 ZINC000587088558 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cnc6ccccc6c5[nH]4)(C3)C1)C2 ZINC000587088567 JK Annotated Anodyne CCCCOc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587088603 JK Annotated Anodyne CC(C)Oc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088606 JK Annotated Anodyne CCCCCOc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587088608 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088628 JK Annotated Mild CCCCCCCCOc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088629 JK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587088638 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587088640 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587088643 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587088644 JK Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1OC ZINC000587088645 JK Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1OC ZINC000587088646 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587088648 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587088649 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587088650 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587088651 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587088786 JK Annotated Anodyne Cc1cc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2cc1[N+](=O)[O-] ZINC000587088895 JK Annotated Bother O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6ccccc6cc5[nH]4)(C3)C1)C2 ZINC000587088907 JK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587088957 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088996 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088999 JK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc6ncccc6c5[nH]4)(C3)C1)C2 ZINC000587089004 JK Annotated Anodyne CC(C)(C)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587089019 JK Annotated Anodyne CSc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587089033 JK Annotated Anodyne O=C(O)c1cc2[nH]c(C(F)(F)C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587089130 JK Annotated Bother Cc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1C ZINC000587089160 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C(F)(Br)Br)[nH]c12 ZINC000587089168 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587089178 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C(F)(Br)Br)[nH]c12 ZINC000587089187 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587089203 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587089215 JK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587089236 JK Annotated Reactive O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587089248 JK Annotated Mild Nc1ccc(Oc2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c3c2)cc1 ZINC000587089307 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587089316 JK Annotated Mild CC(C)COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089328 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587089342 JK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587089540 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587089588 JK Annotated Mild CCCCCCCCOc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br ZINC000587089600 JK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c21 ZINC000587089631 JK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089814 JK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587089825 JK Annotated Mild FC(F)(F)c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089879 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089885 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(I)c2[nH]1 ZINC000587089964 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090044 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(I)cc2[nH]1 ZINC000587090054 JK Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587090084 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Br ZINC000587090120 JK Annotated Mild CCCCCCCCOc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Br ZINC000587090121 JK Annotated Mild O=C(O)c1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587090153 JK Annotated Bother FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587090185 JK Annotated Reactive FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587090221 JK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090222 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587090260 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587090266 JK Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090268 JK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090308 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090329 JK Annotated Mild Fc1c(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587090331 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587090445 JK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090454 JK Annotated Mild FC(F)(F)[C@@](F)(Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587090476 JK Annotated Reactive FC(F)(F)[C@](F)(Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587090477 JK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090519 JK Annotated Mild CCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090553 JK Annotated Mild FC(F)(c1ccccn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587090564 JK Annotated Reactive O=[N+]([O-])c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090573 JK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587090610 JK Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587090615 JK Annotated Mild CC(C)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090628 JK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090652 JK Annotated Mild CCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090786 JK Annotated Mild FC(F)(F)CSc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)ccn1 ZINC000587090863 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587090869 JK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587090877 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 ZINC000587090895 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(I)cccc2[nH]1 ZINC000587090896 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000587090902 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587090908 JK Annotated Mild COc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Cl ZINC000587090911 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587090912 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587090913 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc21 ZINC000587090925 JK Annotated Clean FC(F)(F)COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccn1 ZINC000587090932 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587090946 JK Annotated Bother FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587090962 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 ZINC000587090972 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc4c(c3[nH]2)CCCC4)CC1 ZINC000587090976 JK Annotated Anodyne CC(C)Oc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587090994 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587090998 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091023 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 ZINC000587091025 JK Annotated Bother COC(=O)c1cc(Br)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587091031 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 ZINC000587091047 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(F)(F)F ZINC000587091058 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(F)(F)F ZINC000587091059 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)c(Br)cc2[nH]1)C(F)(F)F ZINC000587091091 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)c(Br)cc2[nH]1)C(F)(F)F ZINC000587091093 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(F)(F)F ZINC000587091156 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091168 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000587091173 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(F)(F)F ZINC000587091178 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccn1 ZINC000587091215 JK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)ccn1 ZINC000587091223 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091247 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091248 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587091253 JK Annotated Reactive CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587091266 JK Annotated Mild Cc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587091276 JK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccn1 ZINC000587091278 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Br)cc3[nH]2)CC1 ZINC000587091289 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587091291 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccn1 ZINC000587091316 JK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccn1 ZINC000587091343 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccn1 ZINC000587091357 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccnc(OCC(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587091405 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC000587091410 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(I)ccc2[nH]1 ZINC000587091420 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587091422 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587091424 JK Annotated Mild COC(=O)c1cc(Cl)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587091430 JK Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091434 JK Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3c2)cc1 ZINC000587091435 JK Annotated Clean CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(C(C)(C)C)c3[nH]2)CC1 ZINC000587091447 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000587091450 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587091508 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587091509 JK Annotated Bother FC(F)(F)CSc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccn1 ZINC000587091532 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ncoc5CCC(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587091571 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587091608 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 ZINC000587091631 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 ZINC000587091637 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587091651 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccn1 ZINC000587091658 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091671 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccn1 ZINC000587091678 JK Annotated Anodyne Cc1c(Br)cnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 ZINC000587091683 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587091687 JK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587091690 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587091695 JK Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000587091703 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccn1 ZINC000587091705 JK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccn1 ZINC000587091715 JK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1Br ZINC000587091734 JK Annotated Mild Cc1c(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1C ZINC000587091750 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587091752 JK Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091760 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587091770 JK Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091781 JK Annotated Mild FC(F)(F)COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccn1 ZINC000587091794 JK Annotated Reactive Cc1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091805 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091809 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587091814 JK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587091826 JK Annotated Mild N#Cc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1C(F)(F)F ZINC000587091844 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)c(F)cc3[nH]2)CC1 ZINC000587091850 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091851 JK Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587091859 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587091860 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(Br)ccc(Br)c2[nH]1)C(F)(F)F ZINC000587091899 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(Br)ccc(Br)c2[nH]1)C(F)(F)F ZINC000587091900 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccn1 ZINC000587091952 JK Annotated Anodyne CCCOc1cc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587091973 JK Annotated Anodyne CCCOc1cc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587091975 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587091986 JK Annotated Anodyne Fc1cc(Br)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587092041 JK Annotated Mild Cc1cc(Br)cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587092052 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000587092067 JK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587092118 JK Annotated Mild N#Cc1cc(Br)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587092123 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000587092134 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000587092141 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587092142 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 ZINC000587092147 JK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccn1 ZINC000587092176 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587092181 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br ZINC000587092184 JK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587092219 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 ZINC000587092232 JK Annotated Anodyne Cc1nc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1Br ZINC000587092233 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 ZINC000587092234 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CC1 ZINC000587092237 JK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587092242 JK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587092253 JK Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587092254 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 ZINC000587092258 JK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1F ZINC000587092303 JK Annotated Mild COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587092311 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 ZINC000587092319 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 ZINC000587092323 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587092325 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccnc(SCC(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587092338 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587092361 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587092393 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587092394 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587092467 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587092468 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccn1 ZINC000587092527 JK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587092537 JK Annotated Reactive CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000587092581 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 ZINC000587092598 JK Annotated Anodyne Fc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1Br ZINC000587092620 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(C)(C)C)cc3[nH]2)CC1 ZINC000587092637 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587092659 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587092666 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000587092670 JK Annotated Anodyne Cc1c(Br)ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587092690 JK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccn1 ZINC000587092704 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587092729 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000587092752 JK Annotated Mild Cc1c(Br)ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587092753 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 ZINC000587092757 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(F)(F)F ZINC000587092766 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(F)(F)F ZINC000587092769 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587092781 JK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 ZINC000587092793 JK Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587092805 JK Annotated Reactive FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587092806 JK Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587092811 JK Annotated Reactive Fc1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587092826 JK Annotated Mild Cc1ccc2c(ccc3nc(C4(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)[nH]c32)n1 ZINC000587092827 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587092847 JK Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587092849 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587092921 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 ZINC000587092932 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587093069 JK Annotated Bother O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587093073 JK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)nn1CC(F)(F)F ZINC000587093226 JK Annotated Bother CCCCOc1cc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587093243 JK Annotated Anodyne CCCCOc1cc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587093245 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(F)(F)F ZINC000587093280 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(F)(F)F ZINC000587093281 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587093343 JK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(F)(F)F ZINC000587093346 JK Annotated Mild CCCCCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587093413 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587093431 JK Annotated Mild FC(F)(F)Oc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587093446 JK Annotated Mild Cc1csc([C@](O)(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587093460 JK Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587093461 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587093465 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587093492 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587093512 JK Annotated Mild CC(C)Oc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587093563 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587093564 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093572 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093573 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587093589 JK Annotated Reactive CCOc1ccccc1[C@@](N)(c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587093590 JK Annotated Reactive CCOc1ccccc1[C@](N)(c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587093609 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587093610 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587093679 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc-2[nH]1 ZINC000587093742 JK Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587093767 JK Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587093768 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587093787 JK Annotated Mild Cc1csc([C@@](O)(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587093813 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587093814 JK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093849 JK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093850 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587093928 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587093934 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587093944 JK Annotated Bother FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587093980 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587093981 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587094016 JK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587094017 JK Annotated Mild Cc1csc([C@@](O)(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094046 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094047 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094090 JK Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094091 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587094134 JK Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587094135 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094292 JK Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094293 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(I)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587094586 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cccc(I)c3[nH]2)c(C(F)(F)F)c1 ZINC000587094588 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094610 JK Annotated Mild CCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587094616 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587094626 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c21 ZINC000587094634 JK Annotated Clean CCCCCOc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587094696 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587094697 JK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587094700 JK Annotated Mild Cc1csc([C@@](O)(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587094701 JK Annotated Mild Cc1csc([C@](O)(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(F)(F)F)n1 ZINC000587094718 JK Annotated Reactive Cc1csc([C@@](O)(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(F)(F)F)n1 ZINC000587094719 JK Annotated Reactive FC(F)(F)c1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587094807 JK Annotated Anodyne Cc1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587094857 JK Annotated Anodyne CCCCOc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587094912 JK Annotated Anodyne CCCCOc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587094913 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587094933 JK Annotated Mild Cc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1C(F)(F)F ZINC000587094950 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587094967 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587094972 JK Annotated Mild FC(F)(F)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587094983 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094988 JK Annotated Bother CCCCCOc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587094989 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587095000 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095025 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587095033 JK Annotated Bother Cc1ccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587095035 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095049 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587095057 JK Annotated Mild Cc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1C(F)(F)F ZINC000587095072 JK Annotated Anodyne Cc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1C(F)(F)F ZINC000587095073 JK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095076 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 ZINC000587095088 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 ZINC000587095108 JK Annotated Anodyne Cc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1C(F)(F)F ZINC000587095116 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c21 ZINC000587095131 JK Annotated Clean Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095141 JK Annotated Reactive CC(C)CCOc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095190 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095219 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br ZINC000587095222 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br ZINC000587095225 JK Annotated Mild FC(F)(F)c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095254 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(N)cc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587095262 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095281 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 ZINC000587095333 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(I)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095381 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095386 JK Annotated Reactive FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095393 JK Annotated Mild CC(C)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095408 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095409 JK Annotated Mild CC(C)COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095423 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc-2[nH]1 ZINC000587095446 JK Annotated Anodyne Cc1ccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587095454 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 ZINC000587095456 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587095460 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(C)c(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587095496 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(C)c(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587095517 JK Annotated Anodyne COc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095545 JK Annotated Anodyne COc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095548 JK Annotated Anodyne COc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095598 JK Annotated Anodyne Nc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095617 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095656 JK Annotated Mild COc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095660 JK Annotated Anodyne Cc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1C(F)(F)F ZINC000587095730 JK Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095733 JK Annotated Anodyne COc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095824 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095837 JK Annotated Anodyne Cc1ccc2oc3nc(C)c(-c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)cc3c(=O)c2c1 ZINC000587095902 JK Annotated Bother Cc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1C(F)(F)F ZINC000587095930 JK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c5nc(O)ccc45)nc13)-c1ccccc1C2=O ZINC000587095958 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](CN1C(=O)c3ccccc3C1=O)C4)-c1ccccc1C2=O ZINC000587095972 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](CN1C(=O)c3ccccc3C1=O)C4)-c1ccccc1C2=O ZINC000587095975 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)[C@@H]4C=CC[C@H]4[C@H](C(=O)O)N5)nc13)-c1ccccc1C2=O ZINC000587095981 JK Annotated Clean Cc1ccc2c3c(cc(-c4ccc5c(c4)[C@H]4C=CC[C@H]4[C@@H](C(=O)O)N5)nc13)-c1ccccc1C2=O ZINC000587095982 JK Annotated Clean Cc1ccc2c3c(cc(-c4ccc5c(c4)[C@@H]4C=CC[C@@H]4[C@H](C(=O)O)N5)nc13)-c1ccccc1C2=O ZINC000587095983 JK Annotated Clean Cc1ccc2c3c(cc(-c4ccc5c(c4)[C@@H]4C=CC[C@@H]4[C@@H](C(=O)O)N5)nc13)-c1ccccc1C2=O ZINC000587095984 JK Annotated Clean Cc1ccc2c3c(cc(-c4ccc5c(c4)[C@@H]4C=CC[C@H]4[C@@H](C(=O)O)N5)nc13)-c1ccccc1C2=O ZINC000587095986 JK Annotated Clean Cc1ccc2c3c(c4c(nc13)C1(C4)CN(C(c3ccccc3)c3ccccc3)C1)-c1ccccc1C2=O ZINC000587095994 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587095995 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587095997 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCCN1C(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000587096005 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000587096006 JK Annotated Anodyne CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CN1CCCCC1 ZINC000587096011 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C[C@@H]1CN(C(=O)c3ccccc3)CC[C@@H]41)-c1ccccc1C2=O ZINC000587096024 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([C@H]1COCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587096048 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587096049 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]([C@H]1COCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587096050 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587096051 JK Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)nc4c(C)ccc5c4c3-c3ccccc3C5=O)c(=O)c2c1 ZINC000587096069 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5cc6c7c(c5oc4=O)CCCN7CCC6)nc13)-c1ccccc1C2=O ZINC000587096078 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000587096083 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000587096084 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587096094 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587096095 JK Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2c1=O ZINC000587096158 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587096221 JK Annotated Anodyne CCCCC/C=C\c1nc2c(C)ccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587096246 JK Annotated Anodyne CCCCC/C=C/c1nc2c(C)ccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587096247 JK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c12 ZINC000587096277 JK Annotated Mild Cc1ccc2c3c(c4c(nc13)C1(CC4)CCN(C(=O)OC(C)(C)C)CC1)-c1ccccc1C2=O ZINC000587096290 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](N1C(=O)c3ccccc3C1=O)CCC4)-c1ccccc1C2=O ZINC000587096315 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](N1C(=O)c3ccccc3C1=O)CCC4)-c1ccccc1C2=O ZINC000587096318 JK Annotated Anodyne COc1c2c(c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c3c1OCO3)CCN(C)C2 ZINC000587096330 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096379 JK Annotated Clean CCn1c2ccc(C(C)=O)cc2c2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc21 ZINC000587096404 JK Annotated Anodyne Cc1ccc2c3c(c(CCOC(=O)c4ccc(O)cc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587096440 JK Annotated Anodyne CCCCCCc1c(-c2ccc(CCOC(C)=O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096497 JK Annotated Anodyne Cc1ccc2nc(O)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(-c3ccccc3)c2c1 ZINC000587096511 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587096525 JK Annotated Anodyne C[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587096529 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(C)n(-c5ccccc5)c5ccc(O)cc45)nc13)-c1ccccc1C2=O ZINC000587096535 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O ZINC000587096556 JK Annotated Bother Cc1ccc2c3c(c4c(nc13)/C(=C/N(C)C)N(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587096572 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)/C(=C\N(C)C)N(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587096582 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(OC)c1OC ZINC000587096596 JK Annotated Anodyne COc1ccccc1-c1nc2c(C)ccc3c2c(c1[C@@H]1CCC[C@H]1C(=O)O)-c1ccccc1C3=O ZINC000587096616 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587096635 JK Annotated Anodyne CCOc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OCC ZINC000587096651 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@]1(CC4)CCN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O ZINC000587096690 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@]1(CC4)CCN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O ZINC000587096693 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096698 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1(CCC4)CCN(C(=O)OC(C)(C)C)CC1)-c1ccccc1C2=O ZINC000587096767 JK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H]4CCCCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587096790 JK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H]4CCCCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587096796 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096863 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096864 JK Annotated Anodyne Cc1ccc2c3c(cc(/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)OC(C)C)nc13)-c1ccccc1C2=O ZINC000587096924 JK Annotated Bother Cc1ccc2c3c(cc(/C(=C\c4cccc([N+](=O)[O-])c4)C(=O)OC(C)C)nc13)-c1ccccc1C2=O ZINC000587096925 JK Annotated Bother Cc1ccc2c3c(c(CCc4ccc([N+](=O)[O-])cc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587096932 JK Annotated Bother FC(F)(F)c1ccccc1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587096961 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096962 JK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)c5ccccc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587096979 JK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096980 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)c5ccccc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587096981 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC4)-c1ccccc1C2=O ZINC000587097029 JK Annotated Bother Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC4)-c1ccccc1C2=O ZINC000587097034 JK Annotated Bother CCCOc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OCCC ZINC000587097061 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)nc5ccccc5c4-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587097090 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000587097163 JK Annotated Anodyne C[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097200 JK Annotated Anodyne C[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097202 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)CC5)nc13)-c1ccccc1C2=O ZINC000587097275 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CCCCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587097277 JK Annotated Anodyne Fc1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1C(F)(F)F ZINC000587097316 JK Annotated Anodyne COc1cc(O)c(-c2nc3c(C)ccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(OC)c1 ZINC000587097320 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587097323 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000587097344 JK Annotated Anodyne COc1ccc(C(=O)Cc2c(CCC(=O)O)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587097401 JK Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097442 JK Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097443 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587097480 JK Annotated Mild C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097485 JK Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097486 JK Annotated Anodyne CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097495 JK Annotated Bother CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097496 JK Annotated Bother Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)C(C)(C)C(=O)N5)nc13)-c1ccccc1C2=O ZINC000587097547 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587097602 JK Annotated Anodyne COc1ccccc1-c1nc2c(C)ccc3c2c(c1[C@@H]1CCCC[C@H]1C(=O)O)-c1ccccc1C3=O ZINC000587097619 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587097649 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097672 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097673 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c2ccccc12 ZINC000587097731 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5Cc6ccccc6C5=N)c4)nc13)-c1ccccc1C2=O ZINC000587097800 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccccc1OCc1ccccc1)C4)-c1ccccc1C2=O ZINC000587097812 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](c1ccccc1OCc1ccccc1)C4)-c1ccccc1C2=O ZINC000587097828 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CCN(C(=O)OCc3ccccc3)C1)C4)-c1ccccc1C2=O ZINC000587097932 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(CCN(C(=O)OCc3ccccc3)C1)C4)-c1ccccc1C2=O ZINC000587097935 JK Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3nc4c(C)ccc5c4c(c3C[C@@H]1N2C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587097940 JK Annotated Anodyne COc1cc(O)c(-c2nc3c(C)ccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(O)c1 ZINC000587097941 JK Annotated Anodyne COC(=O)[C@H]1C[C@H]2c3nc4c(C)ccc5c4c(c3C[C@@H]1N2C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587097942 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC1(CCN(C(=O)OC(C)(C)C)CC1)C4)-c1ccccc1C2=O ZINC000587097964 JK Annotated Anodyne COc1cc(OC)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000587097980 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4nnn(-c5cccc6ncccc56)c4C)nc13)-c1ccccc1C2=O ZINC000587098004 JK Annotated Anodyne COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587098102 JK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c5c4OCC(=O)N5)nc13)-c1ccccc1C2=O ZINC000587098118 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587098143 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(C(=O)O)cc3c1C(C)(C)C4)-c1ccccc1C2=O ZINC000587098149 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587098154 JK Annotated Anodyne Cc1cc(C)c(O)c(-c2nc3c(C)ccc4c3c(c2C2CC(=O)NC(=O)C2)-c2ccccc2C4=O)c1 ZINC000587098158 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098184 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098186 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O ZINC000587098204 JK Annotated Bother Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCc3ccccc3)C[C@@H]41)-c1ccccc1C2=O ZINC000587098212 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587098219 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OCc3ccccc3)C[C@H]41)-c1ccccc1C2=O ZINC000587098223 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OCc3ccccc3)C[C@@H]41)-c1ccccc1C2=O ZINC000587098226 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCc3ccccc3)C[C@H]41)-c1ccccc1C2=O ZINC000587098230 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587098249 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587098251 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098276 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098282 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(=O)c2c1 ZINC000587098311 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([C@H]1CCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587098318 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587098324 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]([C@H]1CCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587098325 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587098328 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(C5CCCCC5)cc3c1CC4)-c1ccccc1C2=O ZINC000587098377 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)c4)nc13)-c1ccccc1C2=O ZINC000587098385 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)c4)nc13)-c1ccccc1C2=O ZINC000587098389 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)c4)nc13)-c1ccccc1C2=O ZINC000587098393 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC1(CCN(C(=O)OC(C)(C)C)CC1)C4)-c1ccccc1C2=O ZINC000587098401 JK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CN(C(=O)OCc5ccccc5)CCO4)nc13)-c1ccccc1C2=O ZINC000587098404 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4CN(C(=O)OCc5ccccc5)CCO4)nc13)-c1ccccc1C2=O ZINC000587098407 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)CC1 ZINC000587098442 JK Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098477 JK Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098480 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(OC)cc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587098606 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc13)-c1ccccc1C2=O ZINC000587098671 JK Annotated Bother Fc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C(F)(F)F ZINC000587098673 JK Annotated Reactive C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098709 JK Annotated Anodyne C[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098710 JK Annotated Anodyne C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098716 JK Annotated Anodyne C[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098717 JK Annotated Anodyne Cc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000587098725 JK Annotated Bother CCc1cc2c(n1Cc1ccccc1)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098736 JK Annotated Anodyne COc1ccc(C(=O)CCc2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587098775 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587098788 JK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCc1ccccc1 ZINC000587098815 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(OCc5cn6ccccc6n5)c4)nc13)-c1ccccc1C2=O ZINC000587098820 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098853 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098856 JK Annotated Mild COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587098868 JK Annotated Anodyne COC(=O)c1cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cn1C(=O)OC(C)(C)C ZINC000587098960 JK Annotated Anodyne C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098985 JK Annotated Reactive C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098986 JK Annotated Reactive CCOC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000587099001 JK Annotated Anodyne CCOC(=O)[C@H]1c2nc3c(C)ccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000587099004 JK Annotated Anodyne C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587099020 JK Annotated Anodyne C[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587099023 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587099030 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587099031 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)c4ccccc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587099034 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccccc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587099035 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O ZINC000587099113 JK Annotated Bother CCCCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099133 JK Annotated Mild CCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099153 JK Annotated Mild Cc1ccc(-n2c(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c3cc(O)ccc32)cc1 ZINC000587099165 JK Annotated Anodyne Cc1c(C(=O)Nc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cccc1[N+](=O)[O-] ZINC000587099183 JK Annotated Bother Cc1ccc2c3c(cc(-c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)nc13)-c1ccccc1C2=O ZINC000587099196 JK Annotated Clean CCOC(=O)Cc1c(-c2ccc(OC)c(OC)c2OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099239 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587099251 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(OC)c1)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587099254 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(OC)c1)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587099255 JK Annotated Anodyne CC(=O)CCCCCCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099267 JK Annotated Anodyne Cc1c(OCc2ccccc2)ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1O ZINC000587099304 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2C2C(=O)CC(C)(C)CC2=O)-c2ccccc2C4=O)cc1 ZINC000587099313 JK Annotated Anodyne CCCCCCCCCCc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099326 JK Annotated Mild CCOC(=O)[C@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587099334 JK Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587099335 JK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587099336 JK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587099337 JK Annotated Anodyne CCCCCCc1c(-c2ccc(-c3ccccc3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099358 JK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)C(C)(C)C[C@H](C)C2(C)C ZINC000587099364 JK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)C(C)(C)C[C@@H](C)C2(C)C ZINC000587099365 JK Annotated Anodyne CCCCCCCCc1nc2c(C)ccc3c2c(c1CCCCCCC)-c1ccccc1C3=O ZINC000587099366 JK Annotated Mild Cc1ccc2c3c(c4c(nc13)-c1cccc(OC(=O)c3ccccc3)c1C4)-c1ccccc1C2=O ZINC000587099386 JK Annotated Anodyne CCCCCCCCCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099399 JK Annotated Mild CCCC[C@H](CC)CCc1nc2c(C)ccc3c2c(c1C[C@@H](CC)CCCC)-c1ccccc1C3=O ZINC000587099401 JK Annotated Anodyne CCCC[C@@H](CC)CCc1nc2c(C)ccc3c2c(c1C[C@H](CC)CCCC)-c1ccccc1C3=O ZINC000587099402 JK Annotated Anodyne CCCC[C@H](CC)CCc1nc2c(C)ccc3c2c(c1C[C@H](CC)CCCC)-c1ccccc1C3=O ZINC000587099403 JK Annotated Anodyne CCCC[C@H](CC)Cc1c(CC[C@H](CC)CCCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099404 JK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)c4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099425 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587099456 JK Annotated Anodyne Cc1ccc2c3c(c(C4CCCC4)c(-c4ccc(Oc5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000587099473 JK Annotated Anodyne Cc1ccc2c3c(c(CCCC(=O)c4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099475 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc1-2 ZINC000587099476 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099568 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099569 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099570 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099571 JK Annotated Anodyne CCCCCCCCCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099627 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099640 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099641 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099642 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099643 JK Annotated Anodyne CC(=O)CCCCCCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099649 JK Annotated Anodyne CCCCCCCCCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099662 JK Annotated Mild CCCCCCCCCc1nc2c(C)ccc3c2c(c1CCCCCCCC)-c1ccccc1C3=O ZINC000587099683 JK Annotated Mild CCCCCCCCCCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099689 JK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(-c6ccccc6)cc5)cc4)nc13)-c1ccccc1C2=O ZINC000587099703 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099716 JK Annotated Mild CC(=O)Oc1ccc(C(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC(C)=O ZINC000587099894 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099923 JK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](CC(=O)C5=CC(=O)C=C[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587099958 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099987 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099988 JK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](CCC5=CC(=O)C=C[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587100325 JK Annotated Mild CCCCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587100448 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587100451 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2c1C ZINC000587100457 JK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1Cc1c2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100467 JK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CCC3=C5CCC(=O)C=C5CC[C@H]3[C@@H]1C4)-c1ccccc1C2=O ZINC000587100630 JK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](CC[C@H]5CC=CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587100640 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(O)cc4)c(CCCCc4ccc(O)cc4)nc13)-c1ccccc1C2=O ZINC000587100652 JK Annotated Anodyne Cc1ccc2c3c(c(CCCc4ccc(O)cc4)c(CCc4ccc(O)cc4)nc13)-c1ccccc1C2=O ZINC000587100689 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587100766 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587100767 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587100768 JK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587100769 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3C(=C1C4)CC[C@@H]1[C@@H](O)CC[C@@H]31)-c1ccccc1C2=O ZINC000587100780 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000587100784 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3nc(Br)cnc3Br)nc3cccc1c23 ZINC000587100799 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(S(=O)(=O)Cl)c(Cl)cc1C4)-c1ccccc1C2=O ZINC000587100801 JK Annotated Unstable Cc1ccc2c3c(cc(COc4ccc5c6c(c(=O)oc5c4C)CCCC6)nc13)-c1ccccc1C2=O ZINC000587100803 JK Annotated Anodyne CCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587100809 JK Annotated Anodyne CCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587100811 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587100830 JK Annotated Anodyne Cc1cc(OCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2c3c(c(=O)oc2c1)CCC3 ZINC000587100832 JK Annotated Anodyne COc1ccc(Cc2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)cc1OC ZINC000587100834 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)ccc4c3c(c2C2C(=O)CC(C)(C)CC2=O)-c2ccccc2C4=O)cc1 ZINC000587100836 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4sc(Cl)c(Cl)c4Cl)nc13)-c1ccccc1C2=O ZINC000587100841 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)-c4ccccc4C5)nc13)-c1ccccc1C2=O ZINC000587100875 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3C(=C1C4)CC[C@H]1[C@@H](O)CC[C@@H]31)-c1ccccc1C2=O ZINC000587100880 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(Br)s4)nc13)-c1ccccc1C2=O ZINC000587100898 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587100902 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(Br)c3O)nc3cccc1c23 ZINC000587100911 JK Annotated Anodyne CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587100927 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cs1 ZINC000587100930 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc(Br)ccc4oc3=O)nc3cccc1c23 ZINC000587100965 JK Annotated Anodyne Cc1ccc2c3c(c(CCCl)c(-c4ccc(Br)s4)nc13)-c1ccccc1C2=O ZINC000587100998 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3OCc3ccccc3)nc3cccc1c23 ZINC000587101023 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)sc(C)c1C ZINC000587101031 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587101083 JK Annotated Anodyne O=C1c2ccccc2-c2cc(/C(Cl)=N/Nc3ccc(Br)cc3)nc3cccc1c23 ZINC000587101088 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3cnc4ccc(Br)cc4c3Cl)nc3cccc1c23 ZINC000587101091 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587101108 JK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@]3(C)c4nc5c(C)ccc6c5c(c4C[C@@H]23)-c2ccccc2C6=O)[C@@]2(C)C=CC(=O)C=C12 ZINC000587101112 JK Annotated Mild O=C1c2ccccc2-c2cc(CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)nc3cccc1c23 ZINC000587101136 JK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CSc1nncn1C ZINC000587101141 JK Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101147 JK Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101149 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3C(=C1C4)C=C[C@@]1(C)[C@H]3CC[C@]1(C)O)-c1ccccc1C2=O ZINC000587101161 JK Annotated Anodyne CC(C)(C)c1nc2cccc3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000587101172 JK Annotated Anodyne C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3cccc4c3c(c12)-c1ccccc1C4=O ZINC000587101205 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1cc(O)c(O)cc1[C@@]1(C)CCCC(C)(C)[C@H]41)-c1ccccc1C2=O ZINC000587101210 JK Annotated Clean Cc1ccc2c3c(c4c(nc13)-c1cc(O)c(O)cc1[C@@]1(C)CCCC(C)(C)[C@@H]41)-c1ccccc1C2=O ZINC000587101213 JK Annotated Clean CCOC(=O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101220 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)nc3cccc1c23 ZINC000587101232 JK Annotated Reactive COC(=O)c1ccc(COc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)o1 ZINC000587101237 JK Annotated Anodyne CC(C)(C)c1nc2cccc3c2c(c1Cc1cccc(Br)c1)-c1ccccc1C3=O ZINC000587101260 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3C(=C1C4)CC[C@]1(C)C(=O)CC[C@@H]31)-c1ccccc1C2=O ZINC000587101265 JK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccco4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101275 JK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccco4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101276 JK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccco4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101277 JK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccco4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101278 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(-c4ccccc4OC[C@H]4CO4)nc13)-c1ccccc1C2=O ZINC000587101279 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(-c4ccccc4OC[C@@H]4CO4)nc13)-c1ccccc1C2=O ZINC000587101280 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587101285 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587101287 JK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4Cc5c(nc6c(C)ccc7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000587101305 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c(c4)oc(=O)c4ccccc45)nc13)-c1ccccc1C2=O ZINC000587101307 JK Annotated Bother Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c(c4)oc(=O)c4ccccc45)nc13)-c1ccccc1C2=O ZINC000587101310 JK Annotated Bother O=C(O)CC1=C(c2ccc(Br)cc2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587101314 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(O)cc4)c(/C=C/CCc4ccc(O)cc4)nc13)-c1ccccc1C2=O ZINC000587101324 JK Annotated Anodyne COC(=O)c1sc2ncc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2c1C ZINC000587101328 JK Annotated Anodyne Cc1ccc(C(=O)CCc2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)s1 ZINC000587101378 JK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)sc2n1 ZINC000587101410 JK Annotated Reactive Cc1ccc2c3c(c4c(nc13)CC[C@]1(C)[C@H]3CC[C@]5(C)C=CC[C@H]5[C@@H]3CC[C@@H]41)-c1ccccc1C2=O ZINC000587101413 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(S(N)(=O)=O)c(Cl)cc4Cl)nc13)-c1ccccc1C2=O ZINC000587101432 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4OCc4cnc(Cl)s4)nc13)-c1ccccc1C2=O ZINC000587101434 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1)C1CC1 ZINC000587101452 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@@H]3C5=C(CC[C@@H]3[C@@H]1C4)CC(=O)CC5)-c1ccccc1C2=O ZINC000587101462 JK Annotated Anodyne CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587101473 JK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587101475 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(-n4cccn4)c(Br)c3)nc3cccc1c23 ZINC000587101478 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101494 JK Annotated Clean Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)OCCCO5)nc13)-c1ccccc1C2=O ZINC000587101501 JK Annotated Anodyne O=C(O)c1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2ccc(Br)cc12 ZINC000587101515 JK Annotated Anodyne N=c1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c[nH]c2ccc(Br)cc12 ZINC000587101520 JK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccc(Br)cc1 ZINC000587101523 JK Annotated Anodyne Cc1ccc2c3c(cc(COc4ccc5c(oc(=O)c6ccccc65)c4C)nc13)-c1ccccc1C2=O ZINC000587101530 JK Annotated Bother Cc1ccc(S(=O)(=O)n2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cc1 ZINC000587101533 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(=O)C(Cl)(Cl)Cl)[nH]c3[N+](=O)[O-])nc3cccc1c23 ZINC000587101540 JK Annotated Bother COc1cc(Br)c2oc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2c1 ZINC000587101556 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(C[C@@H](O)CCc4ccccc4)nc13)-c1ccccc1C2=O ZINC000587101577 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](C(=O)O)(c1ccc(Br)cc1)C3 ZINC000587101584 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](C(=O)O)(c1ccc(Br)cc1)C3 ZINC000587101590 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cnn(-c2cccc(Br)c2)c1CC3 ZINC000587101594 JK Annotated Anodyne CCOC(=O)c1oc2ccc(Cc3c(C)nc4c(C)ccc5c4c3-c3ccccc3C5=O)cc2c1C ZINC000587101595 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5Br)s4)nc13)-c1ccccc1C2=O ZINC000587101613 JK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1-c1cccc(Br)c1 ZINC000587101618 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c6c(c(=O)oc5c(C)c4O)CCCC6)nc13)-c1ccccc1C2=O ZINC000587101631 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(Br)s4)c(C(C)C)nc13)-c1ccccc1C2=O ZINC000587101634 JK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c6c(c(=O)oc5c4)CCC6)nc13)-c1ccccc1C2=O ZINC000587101644 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c6c(c(=O)oc5c4)CCC6)nc13)-c1ccccc1C2=O ZINC000587101645 JK Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)ccc1Cl ZINC000587101646 JK Annotated Anodyne Cc1c(C)c2ccc(OCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000587101652 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587101655 JK Annotated Anodyne COP(=O)(Cc1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O)OC ZINC000587101657 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(CS(=O)(=O)Cl)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000587101659 JK Annotated Unstable COc1ccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2c1Br ZINC000587101660 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 ZINC000587101662 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](Br)C1 ZINC000587101663 JK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](Br)C1 ZINC000587101664 JK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](Br)C1 ZINC000587101665 JK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(OCc5cnc(Cl)s5)cc4)nc13)-c1ccccc1C2=O ZINC000587101674 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCc3ccc(Br)cc3)nc3cccc1c23 ZINC000587101675 JK Annotated Anodyne CCCCc1c(C2=Cc3cc(OC)ccc3OC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101699 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101700 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101705 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CCc3c(ccc5cc(O)ccc35)[C@@H]1C4)-c1ccccc1C2=O ZINC000587101750 JK Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587101752 JK Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587101755 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101763 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(O)c(CSC5=NCCS5)c4)nc13)-c1ccccc1C2=O ZINC000587101772 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3ccc(Cl)cc3)nc1CC4)-c1ccccc1C2=O ZINC000587101775 JK Annotated Anodyne O=C(O)Cc1c(-c2cc(Br)ccc2O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101825 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(=O)(=O)Cl)CC[C@@H]4C1(C)C)-c1ccccc1C2=O ZINC000587101829 JK Annotated Unstable Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(=O)(=O)Cl)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000587101833 JK Annotated Unstable O=C1c2ccccc2-c2cc(-c3ccc(-n4ccnc4)c(Br)c3)nc3cccc1c23 ZINC000587101847 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc3ccc5cccc6ccc(c1CC4)c3c56)-c1ccccc1C2=O ZINC000587101862 JK Annotated Bother COC(=O)c1ccc(COc2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)o1 ZINC000587101879 JK Annotated Anodyne CCCCC[C@H](O)Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587101910 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(S(=O)(=O)Cl)ccc4Cl)nc13)-c1ccccc1C2=O ZINC000587101938 JK Annotated Unstable Cc1ccc(C(=O)Cc2c(CCC(=O)O)nc3c(C)ccc4c3c2-c2ccccc2C4=O)s1 ZINC000587101965 JK Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc12 ZINC000587102005 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102007 JK Annotated Anodyne Cc1ccc2c3c(cc(CCS(=O)(=O)c4cc(Cl)ccc4Cl)nc13)-c1ccccc1C2=O ZINC000587102008 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000587102011 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000587102013 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C[C@H](C)CS5(=O)=O)c4)nc13)-c1ccccc1C2=O ZINC000587102014 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C[C@@H](C)CS5(=O)=O)c4)nc13)-c1ccccc1C2=O ZINC000587102015 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(SC(=O)N(C)C)cc1CC4)-c1ccccc1C2=O ZINC000587102025 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)C5CCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587102026 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587102027 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587102032 JK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102038 JK Annotated Anodyne CCSc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(Cl)c1Cl ZINC000587102039 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccn(S(=O)(=O)c5ccccc5)c4)nc13)-c1ccccc1C2=O ZINC000587102040 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(Br)s4)nc13)-c1ccccc1C2=O ZINC000587102043 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OC[C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000587102050 JK Annotated Mild Cc1ccc(S(=O)(=O)OC[C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000587102051 JK Annotated Mild Cc1ccc2c3c(cc(CSc4nc5cc(Cl)c6cccnc6c5o4)nc13)-c1ccccc1C2=O ZINC000587102052 JK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CSc1ncccn1 ZINC000587102054 JK Annotated Anodyne Cc1cc(Br)ccc1-c1nc2cccc3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000587102094 JK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102106 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102112 JK Annotated Anodyne COC(=O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102135 JK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc(Br)cc2)C1)-c1ccccc1C4=O ZINC000587102147 JK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc(Br)cc2)C1)-c1ccccc1C4=O ZINC000587102152 JK Annotated Anodyne Cc1ccc2c3c(cc(CSc4nc5ccc([N+](=O)[O-])cc5s4)nc13)-c1ccccc1C2=O ZINC000587102154 JK Annotated Bother C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102159 JK Annotated Anodyne C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102161 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587102166 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587102169 JK Annotated Anodyne CCOc1ccc(/C=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587102176 JK Annotated Anodyne COc1ccc(Cc2c(C3(O)CCCCC3)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587102217 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc(Nc5ccc(Cl)cn5)s4)nc13)-c1ccccc1C2=O ZINC000587102221 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4cccc(Br)c4)cc3)nc3cccc1c23 ZINC000587102225 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC[C@H]3[C@@H]5CC=C[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102231 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(O)ccc1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]41)-c1ccccc1C2=O ZINC000587102256 JK Annotated Anodyne Cc1c(-c2ccc(Cl)c(S(=O)(=O)Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587102299 JK Annotated Unstable Cc1ccc2c3c(cc([C@H]4C[C@]5(O)[C@@H](C(C)C)CC[C@]5(C)C[C@@H]4O)nc13)-c1ccccc1C2=O ZINC000587102306 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc12 ZINC000587102308 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc12 ZINC000587102309 JK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc(O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587102311 JK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(O)c(CSc5ncccn5)c4)nc13)-c1ccccc1C2=O ZINC000587102313 JK Annotated Anodyne Cc1ccc2c3c(cc(CCS(=O)(=O)c4ccc(Cl)c(Cl)c4)nc13)-c1ccccc1C2=O ZINC000587102322 JK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc5c(c4)OCCO5)nc13)-c1ccccc1C2=O ZINC000587102332 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3nc4c(C)ccc5c4c(c3C)-c3ccccc3C5=O)c2)cc1 ZINC000587102335 JK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(Br)s4)nc13)-c1ccccc1C2=O ZINC000587102347 JK Annotated Anodyne Cc1ccc2c3c(cc(COc4ccc5c6c(c(=O)oc5c4C)CCC6)nc13)-c1ccccc1C2=O ZINC000587102349 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c12 ZINC000587102366 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c12 ZINC000587102368 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)c5ccc(Cl)s5)cc4)nc13)-c1ccccc1C2=O ZINC000587102392 JK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CSc1nnnn1C ZINC000587102393 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)nc13)-c1ccccc1C2=O ZINC000587102397 JK Annotated Unstable Cc1nc(-c2ccccc2Br)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102403 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c12 ZINC000587102404 JK Annotated Anodyne Cc1cc(OCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587102407 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1[nH]c2ccc(Br)cc2c1CC3 ZINC000587102431 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4ccc(Br)cc4c3=O)nc3cccc1c23 ZINC000587102435 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 ZINC000587102455 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 ZINC000587102456 JK Annotated Reactive Cc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587102457 JK Annotated Anodyne Cc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587102458 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccc(Br)cc3)c(-c3ccccc3)nc3cccc1c23 ZINC000587102462 JK Annotated Anodyne COc1cc(Br)cc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)oc12 ZINC000587102469 JK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000587102470 JK Annotated Anodyne C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102478 JK Annotated Anodyne C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102479 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)-c2nc4c(C)ccc5c4c(c2CC3)-c2ccccc2C5=O)cc1 ZINC000587102484 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Br)cc(Br)cc1C3 ZINC000587102490 JK Annotated Anodyne CC(C)(C)c1nc2cccc3c2c(c1Cc1ccccc1Br)-c1ccccc1C3=O ZINC000587102496 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(O)c(Br)c3)nc3cccc1c23 ZINC000587102504 JK Annotated Anodyne Cc1nn(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)c(C)c1Br ZINC000587102512 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)c(F)c1 ZINC000587102618 JK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(O)cc4)c(-c4c(O)cc(O)cc4O)nc13)-c1ccccc1C2=O ZINC000587102634 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4c(F)cccc4Cl)cc3)nc3cccc1c23 ZINC000587102640 JK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3C(=C1C4)C=C[C@]1(C)[C@@H](O)CC[C@@H]31)-c1ccccc1C2=O ZINC000587102641 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(Nc4cccc(C(F)(F)F)c4)s3)nc3cccc1c23 ZINC000587102671 JK Annotated Anodyne O=C1c2ccccc2-c2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)nc3cccc1c23 ZINC000587102674 JK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1-c1cccc(C(F)(F)F)c1 ZINC000587102727 JK Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1c[nH]c2ccc(Br)cc12)-c1ccccc1C3=O ZINC000587102739 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(Cl)cc3F)nc3cccc1c23 ZINC000587102746 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(Cl)cc3F)nc3cccc1c23 ZINC000587102748 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4Br)cc3)nc3cccc1c23 ZINC000587102753 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccccc2Br)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102760 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(Br)c3)nc3cccc1c23 ZINC000587102761 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)cc(Br)c1CC3 ZINC000587102764 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Nc5nc6ccccc6s5)cc4)nc13)-c1ccccc1C2=O ZINC000587102772 JK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3ccccc3Oc3ccc(Cl)c(F)c3)nc3cccc1c23 ZINC000587102776 JK Annotated Anodyne O=C1COc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(Br)cc2N1 ZINC000587102779 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4ccc(Br)cc4oc3=O)nc3cccc1c23 ZINC000587102783 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc3cccc1c23 ZINC000587102794 JK Annotated Reactive O=C1Cc2nc3cccc4c3c(c2[C@H](c2cccc(Br)c2)C1)-c1ccccc1C4=O ZINC000587102809 JK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2cccc(Br)c2)C1)-c1ccccc1C4=O ZINC000587102811 JK Annotated Anodyne Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102822 JK Annotated Bother Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(=O)C(Cl)(Cl)Cl ZINC000587102830 JK Annotated Anodyne O=C1C=C(Br)C(=O)c2oc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc21 ZINC000587102847 JK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(-c5ccc(Br)cc5)s4)nc13)-c1ccccc1C2=O ZINC000587102855 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000587102859 JK Annotated Anodyne Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102861 JK Annotated Anodyne O=C(Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)c1ccc(Br)o1 ZINC000587102863 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)NCc5ccco5)cc4)nc13)-c1ccccc1C2=O ZINC000587102880 JK Annotated Anodyne Cc1cc(O[C@@H](C)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2c(C)c(C)c(=O)oc2c1 ZINC000587102886 JK Annotated Anodyne Cc1cc(O[C@H](C)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2c(C)c(C)c(=O)oc2c1 ZINC000587102887 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CCc3ccc(I)cc3)nc3cccc1c23 ZINC000587102888 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)cc1 ZINC000587102914 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)cc1 ZINC000587102915 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(Cl)sc4Cl)nc13)-c1ccccc1C2=O ZINC000587102926 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(S(=O)(=O)Cl)ccc4Br)nc13)-c1ccccc1C2=O ZINC000587102931 JK Annotated Unstable Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c6c(c(=O)oc5c4)CCCC6)nc13)-c1ccccc1C2=O ZINC000587102939 JK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c6c(c(=O)oc5c4)CCCC6)nc13)-c1ccccc1C2=O ZINC000587102940 JK Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(Cl)c1Cl ZINC000587103000 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)nc3cccc1c23 ZINC000587103015 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)nc3cccc1c23 ZINC000587103019 JK Annotated Anodyne Cc1cc(I)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1N ZINC000587103041 JK Annotated Anodyne CCc1c(-c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587103042 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1Cc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587103045 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(Cl)cc4Cl)nn3)nc3cccc1c23 ZINC000587103047 JK Annotated Anodyne Cc1nc(Cl)c(I)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103048 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)nc3cccc1c23 ZINC000587103050 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4sccc4NC(=O)c4ccccc4C(=O)O)nc13)-c1ccccc1C2=O ZINC000587103052 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3C(F)(F)F)nc3cccc1c23 ZINC000587103064 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)nc3cccc1c23 ZINC000587103068 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)nc3cccc1c23 ZINC000587103069 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1Cl ZINC000587103082 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc3cccc1c23 ZINC000587103115 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c(C(F)(F)F)c3)nc3cccc1c23 ZINC000587103121 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103138 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cccc1c23 ZINC000587103139 JK Annotated Mild O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)c(F)c3F)nc3cccc1c23 ZINC000587103155 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4Cl)cc3)nc3cccc1c23 ZINC000587103159 JK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587103166 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc3cccc1c23 ZINC000587103190 JK Annotated Anodyne CC(C)(C)c1nc2cccc3c2c(c1Cc1ccc(Br)cc1F)-c1ccccc1C3=O ZINC000587103199 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccc(F)cc3F)nc3cccc1c23 ZINC000587103203 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccc(F)cc3F)nc3cccc1c23 ZINC000587103204 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc(F)ccc3I)nc3cccc1c23 ZINC000587103260 JK Annotated Anodyne COc1ccc2c(c1I)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103276 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(F)cc4)c4nc(O)ccc34)nc3cccc1c23 ZINC000587103298 JK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c6c(c(=O)oc5c4C)CCC6)nc13)-c1ccccc1C2=O ZINC000587103301 JK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c6c(c(=O)oc5c4C)CCC6)nc13)-c1ccccc1C2=O ZINC000587103304 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Nc4c5ccccc5nc5occc45)cc3)nc3cccc1c23 ZINC000587103316 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4scc(Br)c4Br)nc13)-c1ccccc1C2=O ZINC000587103339 JK Annotated Anodyne CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000587103344 JK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2[C@@H]2CC3(C[C@H]12)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587103366 JK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2[C@@H]2CC3(C[C@@H]12)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587103372 JK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2[C@H]2CC3(C[C@H]21)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587103374 JK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2[C@H]2CC3(C[C@@H]21)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587103379 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCC3OCCO3)c(Cc3ccc(F)cc3)nc3cccc1c23 ZINC000587103397 JK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587103433 JK Annotated Mild O=C1c2ccccc2-c2c(CCc3ccccc3)c(Cc3ccc(Cl)cc3)nc3cccc1c23 ZINC000587103449 JK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c(oc(=O)c6ccccc65)c4C)nc13)-c1ccccc1C2=O ZINC000587103457 JK Annotated Bother Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c(oc(=O)c6ccccc65)c4C)nc13)-c1ccccc1C2=O ZINC000587103464 JK Annotated Bother Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N5CCCCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587103476 JK Annotated Anodyne Cn1c(=O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000587103482 JK Annotated Anodyne COc1cc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OC)cc1Cl ZINC000587103488 JK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)/C(=C/Cl)N2 ZINC000587103508 JK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)/C(=C\Cl)N2 ZINC000587103511 JK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000587103513 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cccc1c23 ZINC000587103523 JK Annotated Mild COc1ccc2nc(C)c(CCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(Cl)c2c1 ZINC000587103534 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c12 ZINC000587103537 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c12 ZINC000587103541 JK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)c4cccs4)c(-c4cccs4)nc13)-c1ccccc1C2=O ZINC000587103546 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H]3CCCC[C@H]3C(=O)O)c(-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587103547 JK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103559 JK Annotated Anodyne Cc1cc(C)c(COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(F)c2)c(C)c1 ZINC000587103584 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)nc3cccc1c23 ZINC000587103598 JK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(OC(F)(F)F)cc3[N+](=O)[O-])nc3cccc1c23 ZINC000587103609 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)s3)nc3cccc1c23 ZINC000587103612 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NS(=O)(=O)c4cccs4)nc13)-c1ccccc1C2=O ZINC000587103626 JK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)nc13)-c1ccccc1C2=O ZINC000587103633 JK Annotated Anodyne COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1S(=O)(=O)C(F)F ZINC000587103635 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)CCC(=O)O)-c2ccccc2C4=O)s1 ZINC000587103637 JK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103650 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587103657 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587103659 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](Br)Cc3cccc(Cl)c3F)nc3cccc1c23 ZINC000587103665 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@@H](Br)Cc3cccc(Cl)c3F)nc3cccc1c23 ZINC000587103666 JK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c3)nc3cccc1c23 ZINC000587103671 JK Annotated Bother Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103695 JK Annotated Anodyne CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103696 JK Annotated Bother CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103697 JK Annotated Bother COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000587103721 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)CC(F)(F)F)cc3)nc3cccc1c23 ZINC000587103723 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(I)ccc1OCC3 ZINC000587103806 JK Annotated Anodyne COC(=O)C(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 ZINC000587103829 JK Annotated Reactive CC(C)(C)OC(=O)NCc1nc2cccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000587103832 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc3cccc1c23 ZINC000587103839 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3c[nH]c4cccc(I)c34)nc3cccc1c23 ZINC000587103842 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)c(F)c1 ZINC000587103861 JK Annotated Anodyne COc1cc2c(cc1I)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103886 JK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587103895 JK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587103900 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3O)nc3cccc1c23 ZINC000587103939 JK Annotated Bother CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104023 JK Annotated Anodyne CN(C)/C=C1/C[C@@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104025 JK Annotated Anodyne CN(C)/C=C1\C[C@@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104027 JK Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104029 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(C(F)(F)F)c3)nc3cccc1c23 ZINC000587104052 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104067 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104068 JK Annotated Anodyne Cc1c(-c2cc(Br)ccc2OC(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104084 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104105 JK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(Cl)cc1Cl ZINC000587104128 JK Annotated Anodyne CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104148 JK Annotated Anodyne Cc1ccc(-c2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587104156 JK Annotated Anodyne O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1ccc(Cl)cc1)-c1ccccc1C3=O ZINC000587104159 JK Annotated Anodyne COc1cccc(COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2Cl)c1 ZINC000587104161 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C3 ZINC000587104164 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](N(Cc1ccccc1)Cc1ccccc1)C3 ZINC000587104169 JK Annotated Anodyne CCOC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587104184 JK Annotated Anodyne Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587104192 JK Annotated Anodyne Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587104194 JK Annotated Anodyne CC1CCN(CCc2c(-c3ccc(F)cc3)nc3cccc4c3c2-c2ccccc2C4=O)CC1 ZINC000587104211 JK Annotated Anodyne CCOc1ccc(C=Nc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587104255 JK Annotated Mild C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000587104270 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000587104275 JK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Oc1c(Cl)cc(Cl)cc1Cl ZINC000587104289 JK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3c(Br)cccc3OC(F)(F)F)nc3cccc1c23 ZINC000587104311 JK Annotated Anodyne Cc1c(-c2ccc(Br)cc2C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104316 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn(Cc4cccc(C(F)(F)F)c4)nn3)nc3cccc1c23 ZINC000587104321 JK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)nc3cccc1c23 ZINC000587104330 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3cnc(Nc4ccccc4C(F)(F)F)s3)nc3cccc1c23 ZINC000587104338 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)nc3cccc1c23 ZINC000587104349 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(I)ccc3F)nc3cccc1c23 ZINC000587104363 JK Annotated Anodyne Cc1nc(O)c(I)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104372 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3OC(F)F)nc3cccc1c23 ZINC000587104379 JK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2cc(O)ccc2n1-c1ccccc1 ZINC000587104386 JK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587104392 JK Annotated Clean CC1(C)COC(CCc2c(-c3ccccc3F)nc3cccc4c3c2-c2ccccc2C4=O)OC1 ZINC000587104395 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCN(C(=O)CCl)CC4)c(F)c3)nc3cccc1c23 ZINC000587104411 JK Annotated Reactive COC(=O)c1cc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)ccc1F ZINC000587104424 JK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](Br)Cc3c(F)cccc3F)nc3cccc1c23 ZINC000587104443 JK Annotated Reactive O=C1c2ccccc2-c2cc([C@@H](Br)Cc3c(F)cccc3F)nc3cccc1c23 ZINC000587104444 JK Annotated Reactive COC(=O)c1cc(F)cc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000587104455 JK Annotated Anodyne O=C(CCc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F)OCc1ccccc1 ZINC000587104463 JK Annotated Anodyne CC(=O)N1CCN(c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2Cl)CC1 ZINC000587104498 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000587104505 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(Cl)nc4)c4ccccc34)nc3cccc1c23 ZINC000587104510 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)c(Cl)c([N+](=O)[O-])c4c3OCCO4)nc3cccc1c23 ZINC000587104541 JK Annotated Bother Cc1c(C)c2cc(Cl)c(O[C@@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2oc1=O ZINC000587104547 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000587104550 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2oc1=O ZINC000587104557 JK Annotated Anodyne COc1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000587104560 JK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104583 JK Annotated Mild O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(=O)c1cccc(C(F)(F)F)c1)CCC3 ZINC000587104586 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(=O)c1cccc(C(F)(F)F)c1)CCC3 ZINC000587104588 JK Annotated Anodyne Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104589 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CC[C@@](F)(Cl)C(F)(F)Br)nc3cccc1c23 ZINC000587104593 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CC[C@](F)(Cl)C(F)(F)Br)nc3cccc1c23 ZINC000587104596 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587104600 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104629 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104631 JK Annotated Anodyne Cc1nc2cccc3c2c(c1C[C@@](F)(Cl)C(F)(F)Br)-c1ccccc1C3=O ZINC000587104633 JK Annotated Anodyne Cc1nc2cccc3c2c(c1C[C@](F)(Cl)C(F)(F)Br)-c1ccccc1C3=O ZINC000587104637 JK Annotated Anodyne CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)nc3cccc4c3c2-c2ccccc2C4=O)C(=O)C1 ZINC000587104648 JK Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104667 JK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104668 JK Annotated Mild Cc1nc(CNC(=O)OC(C)(C)C)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104687 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C(F)(F)Br)nc3cccc1c23 ZINC000587104695 JK Annotated Anodyne CC(C)(C)OC(=O)N(CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Cc1ccccc1 ZINC000587104709 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)nc3cccc1c23 ZINC000587104720 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104724 JK Annotated Anodyne Cc1ccc(-n2c(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c3cc(O)ccc32)cc1 ZINC000587104727 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104730 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 ZINC000587104755 JK Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 ZINC000587104762 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc3cccc1c23 ZINC000587104792 JK Annotated Bother CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)CC1 ZINC000587104844 JK Annotated Anodyne COC(=O)c1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cn1C(=O)OC(C)(C)C ZINC000587104845 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104881 JK Annotated Reactive Cc1nc2cccc3c2c(c1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1C3=O ZINC000587104888 JK Annotated Mild O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104894 JK Annotated Anodyne COc1ccc(I)c2c1-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587104896 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000587104973 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4)cc3Cl)nc3cccc1c23 ZINC000587104974 JK Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1ccc(I)cc1)-c1ccccc1C3=O ZINC000587104980 JK Annotated Anodyne CC(=O)N1CCN(Cc2cc(Cl)cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2O)CC1 ZINC000587104981 JK Annotated Clean O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(I)cc1 ZINC000587104983 JK Annotated Anodyne CCOC(=O)C(=CNc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)OCC ZINC000587104985 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc(I)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104989 JK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000587105046 JK Annotated Bother O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)nc3cccc1c23 ZINC000587105077 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)nc3cccc1c23 ZINC000587105078 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)nc3cccc1c23 ZINC000587105079 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc21 ZINC000587105198 JK Annotated Anodyne CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105220 JK Annotated Bother CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105221 JK Annotated Bother CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105341 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105342 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105343 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105344 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccccc4c3-c3ccccc3)nc3cccc1c23 ZINC000587105495 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(OCc4cn5ccccc5n4)c3)nc3cccc1c23 ZINC000587105508 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587105530 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105618 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105619 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O[C@@H](C(=O)O)c4ccccc4)cc3)nc3cccc1c23 ZINC000587105669 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O[C@H](C(=O)O)c4ccccc4)cc3)nc3cccc1c23 ZINC000587105670 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105714 JK Annotated Clean COc1cc(O)c(-c2nc3cccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(O)c1 ZINC000587105788 JK Annotated Anodyne CCCCCCCCCCCCCc1nc2cccc3c2c(c1CCC(=O)OC)-c1ccccc1C3=O ZINC000587105807 JK Annotated Mild COC(=O)[C@@H](Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000587105828 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000587105831 JK Annotated Anodyne COc1cc(O)c(OC)c(O)c1-c1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O ZINC000587105923 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587105998 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587105999 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(C3)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000587106010 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)nc3cccc1c23 ZINC000587106030 JK Annotated Anodyne COc1cc(O)c(-c2nc3cccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(OC)c1 ZINC000587106067 JK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106106 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000587106159 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000587106160 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587106161 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]3Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@@]3(C)CC[C@H]12 ZINC000587106162 JK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O)CC(OC)=CC4 ZINC000587106172 JK Annotated Anodyne CCCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OCCC ZINC000587106249 JK Annotated Anodyne CCCCCCCCCCCCc1c(CCCC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106573 JK Annotated Mild CCOC(=O)Cc1c(-c2ccc(OC)c(OC)c2OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106732 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)CC1 ZINC000587106804 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c4nc(O)ccc34)nc3cccc1c23 ZINC000587106844 JK Annotated Anodyne Cc1ccc2nc(O)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(-c3ccccc3)c2c1 ZINC000587106854 JK Annotated Anodyne O=C1c2ccccc2-c2c(C3CCCC3)c(-c3ccc(Oc4ccccc4)cc3)nc3cccc1c23 ZINC000587107095 JK Annotated Anodyne CCCCCc1c(CCCCCCCCCCC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107106 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107113 JK Annotated Anodyne CCCCCCc1c(-c2ccc(CCOC(C)=O)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107131 JK Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587107154 JK Annotated Reactive O=C(OCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O)c1ccc(O)cc1 ZINC000587107180 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(OC)c1)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587107190 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(OC)c1)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587107193 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccccc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587107229 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107296 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107297 JK Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2C2C(=O)CC(C)(C)CC2=O)-c2ccccc2C4=O)cc1 ZINC000587107393 JK Annotated Anodyne COc1cc(O)c(-c2nc3cccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(O)c1OC ZINC000587107438 JK Annotated Anodyne COc1ccccc1-c1nc2cccc3c2c(c1[C@@H]1CCCC[C@H]1C(=O)O)-c1ccccc1C3=O ZINC000587107457 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2CC1 ZINC000587107480 JK Annotated Anodyne COc1c(C)c(O)c(C)c(O)c1-c1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O ZINC000587107540 JK Annotated Anodyne CCCCCCc1nc2cccc3c2c(c1CCCCCCCCCC(=O)OC)-c1ccccc1C3=O ZINC000587107674 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1Br ZINC000587107680 JK Annotated Anodyne CCCCC/C=C\c1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587107816 JK Annotated Anodyne CCCCC/C=C/c1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587107819 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc12 ZINC000587107827 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)nc3cccc1c23 ZINC000587107902 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1[nH]c2ccc(C4CCCCC4)cc2c1CC3 ZINC000587107975 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587107988 JK Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587108002 JK Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587108017 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587108020 JK Annotated Anodyne Cc1ccc2oc3nc(C)c(-c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)cc3c(=O)c2c1 ZINC000587108049 JK Annotated Bother CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OCC ZINC000587108159 JK Annotated Anodyne O=C1COc2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc(OCc3ccccc3)c2N1 ZINC000587108244 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587108316 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587108514 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587108515 JK Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587108569 JK Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587108584 JK Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587108601 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587108760 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587108761 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587108784 JK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587108785 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587108799 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587108807 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(C(F)(F)F)cc5F)[nH]c4c3)o2)cc1 ZINC000587108841 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 ZINC000587108926 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587108957 JK Annotated Bother CCCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587108990 JK Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587109005 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587109018 JK Annotated Bother Cc1c(Cl)ccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587109022 JK Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587109041 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109053 JK Annotated Mild Cc1c(Br)cnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 ZINC000587109109 JK Annotated Anodyne Fc1c(Cl)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c1F ZINC000587109112 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3cc(Br)cc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587109153 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587109162 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109224 JK Annotated Mild FC(F)(F)c1cc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587109242 JK Annotated Anodyne Cc1cc(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109243 JK Annotated Anodyne N#Cc1nc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc-2[nH]c1C#N ZINC000587109248 JK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109249 JK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587109250 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cccc(I)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587109261 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc-2[nH]1 ZINC000587109264 JK Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2n1 ZINC000587109266 JK Annotated Anodyne CCCOc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587109274 JK Annotated Anodyne CCCCOc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587109278 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109286 JK Annotated Bother O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587109292 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587109302 JK Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587109404 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)cc(C(F)(F)F)c1 ZINC000587109428 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109468 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(C(F)(F)F)cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587109472 JK Annotated Bother FC(F)(F)c1cc(Oc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109480 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587109481 JK Annotated Bother CCCCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587109486 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br ZINC000587109547 JK Annotated Mild Cc1nc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1Br ZINC000587109597 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109615 JK Annotated Reactive FC(F)(F)c1cc(Oc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109617 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109632 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109638 JK Annotated Anodyne CC(C)Oc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587109641 JK Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587109679 JK Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587109696 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)cc1N ZINC000587109714 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587109739 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccc(I)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109743 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587109782 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109805 JK Annotated Bother CC(C)CCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587109825 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587109838 JK Annotated Bother Cc1cnc(Cl)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587109839 JK Annotated Anodyne Cc1c(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1C ZINC000587109846 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587109850 JK Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587109852 JK Annotated Reactive FC(F)(F)c1cc(Oc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109860 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109861 JK Annotated Mild N#Cc1nc(Cl)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587109865 JK Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587109898 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109948 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109951 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c1F ZINC000587109959 JK Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587109962 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587109986 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br ZINC000587110010 JK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110021 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110025 JK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110032 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110036 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587110040 JK Annotated Bother Cc1cc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110051 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c21 ZINC000587110056 JK Annotated Clean CC(C)Oc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587110057 JK Annotated Bother CC(C)COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587110068 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587110069 JK Annotated Bother O=S(=O)(c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F ZINC000587110082 JK Annotated Mild Cc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110094 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587110114 JK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110141 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587110144 JK Annotated Bother CCCCCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587110146 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587110156 JK Annotated Bother FC(F)(F)Oc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587110161 JK Annotated Mild Cc1c(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1C ZINC000587110178 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110183 JK Annotated Bother FC(F)(F)c1cc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110188 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110191 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110194 JK Annotated Mild Cc1cc(Cl)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110212 JK Annotated Anodyne Fc1c(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1F ZINC000587110237 JK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)cc(C(F)(F)F)c1 ZINC000587110253 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110268 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587110274 JK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587110288 JK Annotated Bother COc1nccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110298 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110345 JK Annotated Mild Cc1c(Br)ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110349 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110352 JK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4ccc(Oc5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4)nc32)n1 ZINC000587110363 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110374 JK Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110390 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110392 JK Annotated Mild CCCOc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110394 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110416 JK Annotated Anodyne Oc1c(Br)ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110418 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110425 JK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110429 JK Annotated Anodyne CC(C)Oc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110430 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110450 JK Annotated Mild O=C(O)c1cc(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110471 JK Annotated Anodyne COc1cncc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110477 JK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(I)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110485 JK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110487 JK Annotated Anodyne Fc1cnc(Cl)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587110492 JK Annotated Mild Nc1ccc(Oc2ccc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587110496 JK Annotated Clean Fc1cnc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 ZINC000587110558 JK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110561 JK Annotated Anodyne O=c1c(-c2nc3cc4c(cc3[nH]2)OCO4)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110571 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110576 JK Annotated Mild Cc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587110578 JK Annotated Anodyne O=c1c(-c2nc3c(Cl)cncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110580 JK Annotated Anodyne CC1=C(c2ccc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587110584 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2n1 ZINC000587110590 JK Annotated Anodyne O=c1c(-c2nc3cnc(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110596 JK Annotated Anodyne O=c1c(-c2nc3ncc(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110597 JK Annotated Anodyne COc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1OC ZINC000587110598 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110612 JK Annotated Anodyne COc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1C ZINC000587110616 JK Annotated Anodyne O=c1c(-c2nc3cc(F)c(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110638 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110642 JK Annotated Bother O=c1c(-c2nc3nccc(Cl)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110651 JK Annotated Anodyne O=c1c(-c2nc3cc(O)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110658 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(I)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110662 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)cc1N ZINC000587110665 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cccc(I)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110666 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110668 JK Annotated Mild O=c1c(-c2nc3c(Cl)nccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110669 JK Annotated Anodyne Cc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c(C)n1 ZINC000587110671 JK Annotated Anodyne CSc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587110675 JK Annotated Anodyne O=S(=O)(c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F ZINC000587110678 JK Annotated Mild N#Cc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1C(F)(F)F ZINC000587110679 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110681 JK Annotated Bother Fc1cc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110682 JK Annotated Mild N#Cc1cccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587110686 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3ccc(I)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110689 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587110693 JK Annotated Mild O=c1c(-c2nc3c(F)cc(F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110694 JK Annotated Mild Cc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1C ZINC000587110702 JK Annotated Anodyne O=c1c(-c2nc3cc(F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110708 JK Annotated Mild O=c1c(-c2nc3c4c(ccc3[nH]2)CCCC4)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110714 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587110722 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110729 JK Annotated Mild O=c1c(-c2nc3ncc(F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110732 JK Annotated Mild O=c1c(-c2nc3cc4ccccc4cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110733 JK Annotated Anodyne N#Cc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587110741 JK Annotated Mild CC(C)Oc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587110742 JK Annotated Anodyne COc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1F ZINC000587110745 JK Annotated Mild Fc1c(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1F ZINC000587110748 JK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110783 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Cl ZINC000587110784 JK Annotated Bother O=c1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110795 JK Annotated Anodyne COc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Cl ZINC000587110799 JK Annotated Anodyne O=c1c(-c2nc3c(cnc4ccccc43)[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110801 JK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587110802 JK Annotated Bother FC(F)(F)c1cc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110807 JK Annotated Anodyne O=C1CCc2cc3nc(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)[nH]c3cc2N1 ZINC000587110816 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110832 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc(C(F)(F)F)c1 ZINC000587110833 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587110834 JK Annotated Mild CC(C)(C)c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n1 ZINC000587110837 JK Annotated Anodyne Fc1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1C(F)(F)F ZINC000587110848 JK Annotated Mild Fc1c(Cl)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1F ZINC000587110849 JK Annotated Mild NS(=O)(=O)c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110901 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110908 JK Annotated Anodyne Fc1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1-n1cccn1 ZINC000587110911 JK Annotated Mild N#Cc1nc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2nc1C#N ZINC000587110915 JK Annotated Mild CN(C)CCOc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587110921 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110926 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)[nH]c32)n1 ZINC000587110931 JK Annotated Anodyne O=c1c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110933 JK Annotated Anodyne O=c1c(-c2nc3c(F)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110944 JK Annotated Mild Cc1ccnc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587110949 JK Annotated Anodyne Fc1cc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1Br ZINC000587110964 JK Annotated Mild Cc1ccc(C)c2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587110978 JK Annotated Anodyne Fc1c(Br)ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110979 JK Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 ZINC000587110989 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110993 JK Annotated Bother FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110995 JK Annotated Anodyne O=c1c(-c2nc3c(ccc4ncccc43)[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110996 JK Annotated Anodyne N#Cc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1C#N ZINC000587110997 JK Annotated Mild Cc1cc(F)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587110998 JK Annotated Mild O=c1c(-c2nc3c(O)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111008 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111025 JK Annotated Mild O=C(O)c1cc(F)cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587111026 JK Annotated Mild N#Cc1nc(Cl)cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587111028 JK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111035 JK Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587111036 JK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc(C(F)(F)F)c1 ZINC000587111040 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587111051 JK Annotated Reactive O=c1c(-c2nc3c(Cl)ncc(F)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111061 JK Annotated Mild Nc1ccc(Oc2ccc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587111073 JK Annotated Clean FC(F)(F)c1cc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111074 JK Annotated Mild FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)n2)cc1 ZINC000587111097 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111099 JK Annotated Mild Oc1nc(S)nc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 ZINC000587111102 JK Annotated Anodyne COc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587111107 JK Annotated Anodyne Fc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1Br ZINC000587111116 JK Annotated Mild O=c1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111122 JK Annotated Bother Cc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1F ZINC000587111132 JK Annotated Mild Cc1cc(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111135 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cn1 ZINC000587111144 JK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587111155 JK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587111157 JK Annotated Anodyne COc1cccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587111158 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587111163 JK Annotated Mild O=C1COc2cc3[nH]c(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)nc3cc2N1 ZINC000587111171 JK Annotated Anodyne COC(=O)c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111190 JK Annotated Anodyne N=c1[nH]c2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc-2c(Cl)[nH]1 ZINC000587111192 JK Annotated Anodyne COc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1F ZINC000587111193 JK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111194 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587111216 JK Annotated Anodyne Cn1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587111301 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587111342 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587111357 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587111359 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587111420 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587111421 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587111422 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587111423 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587111442 JK Annotated Mild CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587111443 JK Annotated Mild CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587111445 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587111446 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587111447 JK Annotated Reactive CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587111448 JK Annotated Reactive CCOC(=O)Cc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587111515 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111544 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 ZINC000587111545 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111558 JK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc(C(F)(F)F)c1 ZINC000587111569 JK Annotated Anodyne COc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1OC ZINC000587111572 JK Annotated Anodyne OCCc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587111574 JK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111590 JK Annotated Mild O=C(O)c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111593 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1OC ZINC000587111594 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111597 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc(C(F)(F)F)c1 ZINC000587111598 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587111607 JK Annotated Bother O=c1c(-c2nc3nc(Cl)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111610 JK Annotated Anodyne O=c1c(-c2nc3c(F)cc(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111637 JK Annotated Mild Cc1cncc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587111640 JK Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587111642 JK Annotated Anodyne COc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1C ZINC000587111644 JK Annotated Anodyne Cc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2n1 ZINC000587111645 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587111651 JK Annotated Mild Fc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c(F)c1F ZINC000587111652 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587111676 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111681 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111727 JK Annotated Anodyne Cc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1C ZINC000587111737 JK Annotated Anodyne Cc1nccc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587111752 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111783 JK Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111800 JK Annotated Mild O=[N+]([O-])c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111806 JK Annotated Bother CC(C)Oc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587111821 JK Annotated Anodyne Cc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1[N+](=O)[O-] ZINC000587111828 JK Annotated Bother FC(F)(F)c1ccc2ncc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2c1 ZINC000587111846 JK Annotated Anodyne O=c1c(-c2nc3cc4[nH]ncc4cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111850 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587111875 JK Annotated Anodyne O=c1c(-c2nc3cc(F)c(F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111876 JK Annotated Mild Cc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Cl ZINC000587111898 JK Annotated Anodyne N#Cc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1C#N ZINC000587111919 JK Annotated Mild O=c1c(-c2nc3cc(CCO)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111929 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587111960 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587111966 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587111967 JK Annotated Mild CC(C)COc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587111973 JK Annotated Anodyne Cc1cnc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587111984 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587112061 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587112066 JK Annotated Anodyne CCCCOc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587112176 JK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 ZINC000587112179 JK Annotated Mild COC(=O)c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n1 ZINC000587112183 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112197 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112206 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112225 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112226 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112239 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587112246 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587112248 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587112256 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587112258 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587112269 JK Annotated Anodyne Oc1nc2cc3nc(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)[nH]c3cc2[nH]1 ZINC000587112280 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc6ccc(C(F)(F)F)cc6c5)[nH]c4c3)o2)cc1 ZINC000587112306 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1F ZINC000587112323 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 ZINC000587112327 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587112337 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587112346 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587112401 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587112405 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112447 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112452 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587112455 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2c1 ZINC000587112456 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587112459 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587112485 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587112494 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112496 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587112497 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587112502 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c21 ZINC000587112504 JK Annotated Clean CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587112511 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cccc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112514 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587112518 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587112520 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc-2[nH]1 ZINC000587112542 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 ZINC000587112546 JK Annotated Anodyne O=c1c(-c2nc3c(Cl)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112557 JK Annotated Anodyne COc1cc(OC)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587112573 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)n2)cc1 ZINC000587112584 JK Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112587 JK Annotated Mild Cc1cc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112607 JK Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 ZINC000587112609 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587112616 JK Annotated Anodyne O=c1c(-c2nc3cc(Cl)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112636 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)n2)cc1 ZINC000587112643 JK Annotated Anodyne CC(C)(C)c1cccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587112649 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1F ZINC000587112653 JK Annotated Mild N[C@H](N=O)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587112688 JK Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587112691 JK Annotated Anodyne C=CCc1cccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587112706 JK Annotated Mild FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587112752 JK Annotated Mild Cc1cnc(Cl)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587112756 JK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(C(F)(F)F)c1 ZINC000587112772 JK Annotated Mild Cc1c(Br)ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587112776 JK Annotated Anodyne O=c1c(-c2nc3c(F)c(F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112777 JK Annotated Mild FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)n2)cc1 ZINC000587112785 JK Annotated Anodyne Fc1cc(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587112786 JK Annotated Mild O=C(CSCc1nc2ccc(Br)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112797 JK Annotated Anodyne O=C(CSCc1nc2cc(F)cc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112822 JK Annotated Anodyne O=C(CSCc1nc2ccc(F)c(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112858 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112892 JK Annotated Anodyne Cc1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1[N+](=O)[O-] ZINC000587112923 JK Annotated Bother CCCOc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587112964 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2c1 ZINC000587112971 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587112988 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587112989 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112992 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113007 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113029 JK Annotated Anodyne N#Cc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1C(F)(F)F ZINC000587113073 JK Annotated Mild Cn1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113099 JK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587113107 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2c1 ZINC000587113111 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587113124 JK Annotated Mild C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587113127 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587113131 JK Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587113148 JK Annotated Bother FC(F)(F)c1cc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc(C(F)(F)F)c1 ZINC000587113173 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587113190 JK Annotated Anodyne CCCCOc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113191 JK Annotated Anodyne CCCCOc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113196 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2c1 ZINC000587113210 JK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113232 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1F ZINC000587113236 JK Annotated Mild CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587113256 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587113257 JK Annotated Anodyne CCCCOc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587113284 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(Sc5ccccc5)cc4[nH]3)n2)cc1 ZINC000587113320 JK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)cc1 ZINC000587113360 JK Annotated Anodyne O=C(CSCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113443 JK Annotated Mild N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587113479 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587113488 JK Annotated Anodyne CCCCOc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113518 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113519 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113525 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113526 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587113527 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587113528 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587113540 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113641 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587113644 JK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 ZINC000587113663 JK Annotated Anodyne FC(F)(F)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587113665 JK Annotated Reactive FC(F)(F)c1ccc2ncc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2c1 ZINC000587113731 JK Annotated Anodyne Cn1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587113739 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2c1 ZINC000587113743 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2c1 ZINC000587113758 JK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2c1 ZINC000587113762 JK Annotated Anodyne O=C(CSCc1nc2cc(Br)cc(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113789 JK Annotated Anodyne O=C(CSCc1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113798 JK Annotated Anodyne CC(C)COc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587113825 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113847 JK Annotated Anodyne O=C(CSCc1nc2cccc(I)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113877 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587113892 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587113895 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587113917 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587113919 JK Annotated Anodyne O=C(CSCc1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113987 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587114002 JK Annotated Mild CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587114005 JK Annotated Mild CC(C)CCOc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114032 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114039 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)n2)cc1 ZINC000587114074 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)n2)cc1 ZINC000587114076 JK Annotated Reactive FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)n2)cc1 ZINC000587114095 JK Annotated Mild CCCOc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114117 JK Annotated Anodyne CCCOc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114118 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587114171 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587114172 JK Annotated Anodyne O=C(CSCc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114196 JK Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587114256 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587114260 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587114306 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587114307 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587114308 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587114309 JK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587114316 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587114319 JK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587114324 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587114397 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587114398 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(Br)cn1 ZINC000587114466 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(Br)cn1 ZINC000587114505 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587114508 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(Br)cn1 ZINC000587114545 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114546 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587114603 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587114634 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5cccc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587114635 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587114639 JK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)cc1 ZINC000587114655 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587114683 JK Annotated Anodyne Cc1c(Br)ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587114699 JK Annotated Anodyne O=C(CSCc1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114717 JK Annotated Bother CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114721 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2)c1C(F)(F)F ZINC000587114735 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)c1C(F)(F)F ZINC000587114750 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)c(OC)cc4[nH]3)nc2n1 ZINC000587114771 JK Annotated Anodyne O=C(CSCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1ccc(C(F)(F)F)cc1 ZINC000587114781 JK Annotated Clean O=C(CSCc1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114788 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc-2[nH]1 ZINC000587114791 JK Annotated Anodyne O=C(CSCc1nc2cc(Br)cc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114796 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(Br)cn1 ZINC000587114808 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(Br)cn1 ZINC000587114822 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)nc2n1 ZINC000587114836 JK Annotated Bother CCCOc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587114840 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(CC(=O)OCC)cc4[nH]3)nc2n1 ZINC000587114854 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Oc5ccccc5)cc4[nH]3)nc2n1 ZINC000587114859 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587114865 JK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)nc2n1 ZINC000587114876 JK Annotated Bother N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587114883 JK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587114893 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Cc5cccc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587114917 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Cc5cccc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587114918 JK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587114932 JK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587114933 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)ncc4[nH]3)nc2n1 ZINC000587114957 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)c(Cl)cc4[nH]3)nc2n1 ZINC000587114969 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(OC(F)(F)F)cc4[nH]3)nc2n1 ZINC000587114981 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115040 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)cc(OC)c4[nH]3)nc2n1 ZINC000587115045 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)c(C)c4[nH]3)nc2n1 ZINC000587115055 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)OCCCO5)nc2n1 ZINC000587115057 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115079 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1F ZINC000587115088 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)nc2n1 ZINC000587115092 JK Annotated Clean CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)nc2n1 ZINC000587115104 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Cl ZINC000587115115 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(Br)cn1 ZINC000587115122 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc5nc(C)ccc5c4[nH]3)nc2n1 ZINC000587115129 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Cl)cnc(Cl)c4[nH]3)nc2n1 ZINC000587115144 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587115147 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)c(Br)cnc4[nH]3)nc2n1 ZINC000587115168 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)ncc4[nH]3)nc2n1 ZINC000587115169 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(OC(F)(F)F)c4[nH]3)nc2n1 ZINC000587115171 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)c(C)c(C)c4[nH]3)nc2n1 ZINC000587115179 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)nc2n1 ZINC000587115188 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Cl)c(Cl)cnc4[nH]3)nc2n1 ZINC000587115202 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccnc(Br)c4[nH]3)nc2n1 ZINC000587115217 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc2n1 ZINC000587115222 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)nc2n1 ZINC000587115231 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)cc(Cl)c4[nH]3)nc2n1 ZINC000587115240 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc(F)c4[nH]3)nc2n1 ZINC000587115242 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587115248 JK Annotated Bother FC(F)(F)c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(Br)cn1 ZINC000587115253 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(Br)cn1 ZINC000587115268 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115270 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115274 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)OCC)cc4[nH]3)nc2n1 ZINC000587115276 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(OCc5ccccc5)c4[nH]3)nc2n1 ZINC000587115292 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115294 JK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115303 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)nc2n1 ZINC000587115316 JK Annotated Bother CCCCOc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115324 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)nc2n1 ZINC000587115333 JK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Sc5ccccc5)cc4[nH]3)nc2n1 ZINC000587115341 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)cc(Br)c4[nH]3)nc2n1 ZINC000587115343 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)nc2n1 ZINC000587115352 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(F)(F)F)cc4[nH]3)nc2n1 ZINC000587115360 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)c(F)cc4[nH]3)nc2n1 ZINC000587115374 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)nc2n1 ZINC000587115382 JK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)nc2n1 ZINC000587115391 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc(Br)c4[nH]3)nc2n1 ZINC000587115398 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)cnc4[nH]3)nc2n1 ZINC000587115414 JK Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587115415 JK Annotated Reactive CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(SC(F)(F)F)cc4[nH]3)nc2n1 ZINC000587115421 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)nc2n1 ZINC000587115423 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)c(Br)cc4[nH]3)nc2n1 ZINC000587115426 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(F)cnc(Br)c4[nH]3)nc2n1 ZINC000587115438 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc(C)c4[nH]3)nc2n1 ZINC000587115440 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)nc2n1 ZINC000587115456 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115457 JK Annotated Mild FC(F)(F)c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(Br)cn1 ZINC000587115498 JK Annotated Mild CC(C)COc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115530 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(F)(F)F)c4[nH]3)nc2n1 ZINC000587115546 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)nc2n1 ZINC000587115564 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)nc(Cl)c4[nH]3)nc2n1 ZINC000587115569 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)nc2n1 ZINC000587115578 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)c(C)nc4[nH]3)nc2n1 ZINC000587115590 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)nc2n1 ZINC000587115593 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)cc4[nH]3)nc2n1 ZINC000587115597 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(Br)c4[nH]3)nc2n1 ZINC000587115600 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(F)c(Br)c4[nH]3)nc2n1 ZINC000587115609 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C#N)cc(Br)c4[nH]3)nc2n1 ZINC000587115613 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)cc(Br)c4[nH]3)nc2n1 ZINC000587115615 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Br)ccnc4[nH]3)nc2n1 ZINC000587115634 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)nc2n1 ZINC000587115658 JK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)nc2n1 ZINC000587115670 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)c(Cl)nc4[nH]3)nc2n1 ZINC000587115696 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)c(F)c4[nH]3)nc2n1 ZINC000587115699 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)nc4[nH]3)nc2n1 ZINC000587115705 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C#N)cc(Cl)c4[nH]3)nc2n1 ZINC000587115709 JK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)c(F)c(F)c4[nH]3)nc2n1 ZINC000587115711 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cnc4[nH]3)nc2n1 ZINC000587115719 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)c(O)c4[nH]3)nc2n1 ZINC000587115734 JK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)nc2n1 ZINC000587115745 JK Annotated Mild COC(=O)c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587115760 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587115763 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587115769 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587115802 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587115824 JK Annotated Anodyne CC(C)COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587115868 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587115887 JK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587115889 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587115917 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587115941 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6cnccc6nc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587115947 JK Annotated Anodyne CCCCOc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587115961 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cccc(I)c3[nH]2)c(Br)cn1 ZINC000587115964 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)cc1 ZINC000587115969 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587115983 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(Br)cn1 ZINC000587116049 JK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587116053 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587116054 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587116062 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587116075 JK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587116081 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Br)cn1 ZINC000587116092 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(I)cc3[nH]2)c(Br)cn1 ZINC000587116130 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587116133 JK Annotated Mild Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587116148 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587116190 JK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587116192 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587116200 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587116236 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)cnc(Cl)c3[nH]2)c(C2CC2)c1Cl ZINC000587116247 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116250 JK Annotated Anodyne CCCCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587116255 JK Annotated Bother Fc1c(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1F ZINC000587116266 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116288 JK Annotated Reactive Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587116303 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116306 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)c(C(F)(F)F)nn5C)[nH]c4c3)o2)cc1 ZINC000587116328 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116349 JK Annotated Anodyne CCCOc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587116371 JK Annotated Anodyne Cc1c(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1C ZINC000587116401 JK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587116408 JK Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Br)cn1 ZINC000587116415 JK Annotated Reactive FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587116435 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587116437 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c21 ZINC000587116467 JK Annotated Clean CC(C)COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587116474 JK Annotated Anodyne CCCCCOc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587116478 JK Annotated Anodyne FC(F)(F)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Cl ZINC000587116525 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116537 JK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587116538 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(I)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116578 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116611 JK Annotated Mild FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000587116707 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587116759 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587116765 JK Annotated Anodyne Cc1cc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1[N+](=O)[O-] ZINC000587116766 JK Annotated Bother Cc1cc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1[N+](=O)[O-] ZINC000587116768 JK Annotated Bother Cc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1C ZINC000587116769 JK Annotated Anodyne Cc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1C ZINC000587116771 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587116796 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587116798 JK Annotated Anodyne C=CCc1cccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587116815 JK Annotated Mild C=CCc1cccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587116817 JK Annotated Mild Cc1cc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c(C)n1 ZINC000587116820 JK Annotated Anodyne Cc1cc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c(C)n1 ZINC000587116824 JK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1 ZINC000587116826 JK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587116828 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587116837 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587116841 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116881 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116883 JK Annotated Bother COc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1C ZINC000587116888 JK Annotated Anodyne COc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1C ZINC000587116893 JK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587116900 JK Annotated Reactive COC(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587116908 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587116909 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)cc1 ZINC000587116920 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116963 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587116966 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587116968 JK Annotated Bother FC(F)(F)c1cc(Cl)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116972 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116993 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C2CC2)c1Cl ZINC000587116997 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C2CC2)c1Cl ZINC000587117001 JK Annotated Mild O=C(O)c1cc(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117012 JK Annotated Anodyne COC(=O)c1cccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587117070 JK Annotated Anodyne COC(=O)c1cccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587117072 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587117075 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587117078 JK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587117081 JK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587117138 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587117140 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587117145 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587117146 JK Annotated Anodyne Fc1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1Br ZINC000587117168 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117182 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587117208 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587117212 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587117219 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117220 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587117222 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117231 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587117233 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587117234 JK Annotated Anodyne Fc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1Br ZINC000587117249 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587117258 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587117263 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587117265 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)c(C2CC2)c1Cl ZINC000587117269 JK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587117273 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587117289 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587117301 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587117305 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1Br ZINC000587117310 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587117311 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587117331 JK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)no2)n1 ZINC000587117397 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1Br ZINC000587117401 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)cc1N ZINC000587117402 JK Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587117426 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117431 JK Annotated Bother FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587117486 JK Annotated Anodyne CCCOc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587117487 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117535 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Cl)cc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587117542 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cccc(I)c3[nH]2)c(C2CC2)c1Cl ZINC000587117555 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c21 ZINC000587117570 JK Annotated Clean CC(C)COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587117573 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587117580 JK Annotated Bother COc1nccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587117643 JK Annotated Anodyne COc1nccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587117645 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587117646 JK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1 ZINC000587117648 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587117666 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587117667 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587117668 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587117669 JK Annotated Anodyne CCc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587117675 JK Annotated Anodyne CCc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587117676 JK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587117697 JK Annotated Bother O=C(c1ccccc1)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117708 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587117718 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3c(Cl)c(Br)cnc3[nH]2)c(C2CC2)c1Cl ZINC000587117720 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587117721 JK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587117723 JK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587117724 JK Annotated Mild CCCOc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117751 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587117770 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Cl ZINC000587117777 JK Annotated Anodyne Fc1cc(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117779 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587117795 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587117797 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587117807 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587117809 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587117811 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117812 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587117823 JK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587117826 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587117829 JK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587117831 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)nc1C(F)(F)F ZINC000587117837 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c(C2CC2)c1Cl ZINC000587117839 JK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587117843 JK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587117876 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587117881 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Cl ZINC000587117894 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587117895 JK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587117902 JK Annotated Bother COC(=O)c1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587117911 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)cc(Cl)c3[nH]2)c(C2CC2)c1Cl ZINC000587117953 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117974 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1Br ZINC000587117984 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587117999 JK Annotated Mild Fc1c(Br)ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587118006 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C2CC2)c1Cl ZINC000587118013 JK Annotated Anodyne CC(C)Oc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587118014 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c(C2CC2)c1Cl ZINC000587118020 JK Annotated Bother CCCOc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587118151 JK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587118189 JK Annotated Bother FC(F)(F)c1ccn(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000587118203 JK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000587118222 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587118226 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4sc([C@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c32)n1 ZINC000587118228 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4sc([C@@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c32)n1 ZINC000587118229 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(Cl)c2[nH]1 ZINC000587118236 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(Cl)c2[nH]1 ZINC000587118237 JK Annotated Anodyne COc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1OC ZINC000587118245 JK Annotated Anodyne COc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1OC ZINC000587118246 JK Annotated Anodyne Cc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Cl ZINC000587118250 JK Annotated Anodyne Cc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Cl ZINC000587118251 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587118259 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587118260 JK Annotated Anodyne COc1cncc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587118270 JK Annotated Anodyne COc1cncc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587118273 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118276 JK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587118278 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587118282 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587118283 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587118284 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587118285 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587118286 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587118288 JK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587118292 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587118310 JK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587118314 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587118315 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Br ZINC000587118316 JK Annotated Reactive O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118318 JK Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)no2)n1 ZINC000587118332 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118346 JK Annotated Mild Cc1c(Br)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1C ZINC000587118350 JK Annotated Bother COc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1F ZINC000587118358 JK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)no2)n1 ZINC000587118360 JK Annotated Anodyne COc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1F ZINC000587118361 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587118364 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587118368 JK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc32)n1 ZINC000587118370 JK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118384 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587118385 JK Annotated Anodyne N#Cc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1C(F)(F)F ZINC000587118386 JK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587118388 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587118391 JK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587118392 JK Annotated Mild Cc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1C ZINC000587118396 JK Annotated Anodyne Cc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1C ZINC000587118398 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587118427 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587118432 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587118446 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)nc1C(F)(F)F ZINC000587118460 JK Annotated Bother CC(C)Oc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587118466 JK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)no2)n1 ZINC000587118486 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118510 JK Annotated Bother FC(F)(F)Oc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Cl ZINC000587118519 JK Annotated Anodyne CCCCCOc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587118546 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118563 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1Br ZINC000587118569 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587118574 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br ZINC000587118600 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587118617 JK Annotated Mild N#Cc1cc(Br)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587118635 JK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587118670 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587118721 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587118722 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587118726 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587118736 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587118737 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587118739 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587118740 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587118741 JK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587118742 JK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587118756 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587118757 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000587118773 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000587118775 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587118777 JK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587118779 JK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587118822 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587118826 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587118827 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3c2)cc1 ZINC000587118860 JK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587118887 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587118889 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1Br ZINC000587118900 JK Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587118901 JK Annotated Reactive FC(F)(F)Oc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587118910 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118948 JK Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1Br ZINC000587118951 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587118999 JK Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)no2)n1 ZINC000587119001 JK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587119027 JK Annotated Reactive CC(C)CCOc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587119093 JK Annotated Anodyne CCCCOc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587119095 JK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587119196 JK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587119197 JK Annotated Anodyne COc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Cl ZINC000587119201 JK Annotated Anodyne COc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Cl ZINC000587119202 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1F ZINC000587119232 JK Annotated Mild Cc1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119259 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587119274 JK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587119283 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587119285 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)n2n1 ZINC000587119304 JK Annotated Mild CSc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119308 JK Annotated Anodyne CSc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119315 JK Annotated Anodyne Fc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1Br ZINC000587119327 JK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(Br)c(Br)cc3[nH]2)c2c1CCCC2 ZINC000587119330 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C#N)c2[nH]1 ZINC000587119359 JK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C#N)c2[nH]1 ZINC000587119361 JK Annotated Mild FC(F)(F)c1nn(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2c1CCCC2 ZINC000587119365 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119366 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)cc1 ZINC000587119370 JK Annotated Anodyne COc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cn1 ZINC000587119391 JK Annotated Anodyne COc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cn1 ZINC000587119392 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587119393 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587119399 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587119401 JK Annotated Anodyne COc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2n1 ZINC000587119403 JK Annotated Anodyne COc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2n1 ZINC000587119404 JK Annotated Anodyne Nc1ccc(-c2ccc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3c2)cc1N ZINC000587119410 JK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)no2)n1 ZINC000587119413 JK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119414 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119425 JK Annotated Bother Fc1cc(C(F)(F)F)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119433 JK Annotated Mild CCCCOc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587119440 JK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587119448 JK Annotated Bother FC(F)(F)Oc1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587119449 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587119453 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119467 JK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119471 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)cc1 ZINC000587119482 JK Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c12 ZINC000587119499 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587119503 JK Annotated Anodyne FC(F)(F)c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587119518 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)cc(Cl)cc4[nH]3)n2n1 ZINC000587119542 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587119547 JK Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119553 JK Annotated Bother FC(F)(F)c1nn(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2c1CCCC2 ZINC000587119583 JK Annotated Anodyne FC(F)(F)Oc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119586 JK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587119591 JK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119606 JK Annotated Bother FC(F)(F)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Cl ZINC000587119610 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119615 JK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1Br ZINC000587119626 JK Annotated Anodyne COc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119689 JK Annotated Anodyne COc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119690 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587119701 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587119702 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587119706 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587119707 JK Annotated Anodyne COc1cccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587119725 JK Annotated Anodyne COc1cccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c12 ZINC000587119726 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587119730 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587119731 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587119736 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587119737 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C(F)(F)F)cc5C5CC5)[nH]c4c3)o2)cc1 ZINC000587119749 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000587119759 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000587119760 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc12 ZINC000587119763 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc12 ZINC000587119764 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587119766 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587119767 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587119768 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587119769 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587119775 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587119776 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587119780 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587119781 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587119783 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587119784 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587119787 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587119789 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587119791 JK Annotated Anodyne Fc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119807 JK Annotated Anodyne Fc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119808 JK Annotated Anodyne Fc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1-n1cccn1 ZINC000587119824 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)ncc(Br)c4[nH]3)n2n1 ZINC000587119830 JK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)[nH]c3cc2O1 ZINC000587119835 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119836 JK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119838 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587119849 JK Annotated Anodyne CCCOc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587119853 JK Annotated Anodyne Fc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1C(F)(F)F ZINC000587119867 JK Annotated Mild FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)n2n1 ZINC000587119870 JK Annotated Bother FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncc(Br)c(Cl)c4[nH]3)n2n1 ZINC000587119874 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119877 JK Annotated Anodyne FC(F)(F)Oc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587119880 JK Annotated Anodyne Fc1cnc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c12 ZINC000587119891 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3ccccc3cc2[nH]1 ZINC000587119894 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3ccccc3cc2[nH]1 ZINC000587119895 JK Annotated Anodyne Cc1c(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1C ZINC000587119898 JK Annotated Anodyne COC(=O)c1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cn1 ZINC000587119899 JK Annotated Anodyne COC(=O)c1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cn1 ZINC000587119900 JK Annotated Anodyne CC(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119914 JK Annotated Anodyne CC(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119915 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587119916 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587119917 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587119918 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587119919 JK Annotated Anodyne Cc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1F ZINC000587119920 JK Annotated Anodyne Cc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1F ZINC000587119921 JK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cnc2[nH]1 ZINC000587119924 JK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cnc2[nH]1 ZINC000587119925 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2n1 ZINC000587119941 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2n1 ZINC000587119942 JK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3c(Br)ccc(Br)c3[nH]2)c2c1CCCC2 ZINC000587119968 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)cc(Br)cc4[nH]3)n2n1 ZINC000587119971 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C(F)(F)F)c6c5CCCC6)[nH]c4c3)o2)cc1 ZINC000587119972 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119978 JK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)no2)n1 ZINC000587119982 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Cl ZINC000587120000 JK Annotated Anodyne FC(F)(F)Sc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120003 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cnc(Br)cc4[nH]3)n2n1 ZINC000587120005 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)cccc4[nH]3)n2n1 ZINC000587120013 JK Annotated Anodyne Fc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1Br ZINC000587120014 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nccc(Br)c4[nH]3)n2n1 ZINC000587120016 JK Annotated Anodyne Cc1nc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1Br ZINC000587120017 JK Annotated Anodyne CC(C)COc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587120036 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Br)ccc4[nH]3)n2n1 ZINC000587120042 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)n2n1 ZINC000587120044 JK Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120052 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)n2n1 ZINC000587120053 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587120063 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1C ZINC000587120076 JK Annotated Anodyne CC(C)Oc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587120080 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncc(Br)cc4[nH]3)n2n1 ZINC000587120081 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)cncc4[nH]3)n2n1 ZINC000587120085 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)n2n1 ZINC000587120086 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)n2n1 ZINC000587120092 JK Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Cl ZINC000587120106 JK Annotated Bother CCCCCOc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587120119 JK Annotated Anodyne N#Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1C(F)(F)F ZINC000587120136 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587120137 JK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1F ZINC000587120154 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587120170 JK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587120206 JK Annotated Anodyne CCCCOc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120218 JK Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2[nH]1 ZINC000587120220 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6nc(C(F)(F)F)[nH]c6c5)[nH]c4c3)o2)cc1 ZINC000587120222 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120224 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120252 JK Annotated Mild N#Cc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587120266 JK Annotated Mild CCCCOc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587120300 JK Annotated Anodyne CC(C)CCOc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587120306 JK Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120312 JK Annotated Anodyne Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587120314 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120317 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)nccc4[nH]3)n2n1 ZINC000587120333 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Br)ccc4[nH]3)n2n1 ZINC000587120352 JK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2c1CCCC2 ZINC000587120357 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)n2n1 ZINC000587120370 JK Annotated Bother CCCCOc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120396 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120399 JK Annotated Mild FC(F)(F)Oc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120416 JK Annotated Mild CCCOc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120418 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120429 JK Annotated Mild FC(F)(F)c1nc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2[nH]1 ZINC000587120471 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 ZINC000587120489 JK Annotated Anodyne CCCCCOc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120519 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120524 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)n2n1 ZINC000587120533 JK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120555 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C(F)(F)F)n[nH]c5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587120601 JK Annotated Anodyne Fc1cc(F)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120616 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120622 JK Annotated Anodyne Cc1c(F)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120640 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc5cn[nH]c5cc4[nH]3)nn12 ZINC000587120644 JK Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2[nH]1 ZINC000587120652 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120654 JK Annotated Anodyne COC(=O)c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587120673 JK Annotated Mild CC(C)CCOc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120681 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120682 JK Annotated Mild COc1cncc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120695 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cccc(Cl)c4[nH]3)nn12 ZINC000587120703 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120706 JK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(Cl)cc4[nH]3)nn12 ZINC000587120723 JK Annotated Anodyne Fc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1F ZINC000587120748 JK Annotated Anodyne Cc1ccnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587120759 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120779 JK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120789 JK Annotated Anodyne N#Cc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120794 JK Annotated Mild FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)n2n1 ZINC000587120809 JK Annotated Bother FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587120842 JK Annotated Mild CC(C)Oc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120853 JK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587120867 JK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587120875 JK Annotated Mild CC(C)COc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120908 JK Annotated Anodyne COc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cn1 ZINC000587120920 JK Annotated Anodyne N#Cc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120941 JK Annotated Mild Cc1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c(C)n1 ZINC000587120943 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cccnc4[nH]3)nn12 ZINC000587120949 JK Annotated Anodyne Cc1cncc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120964 JK Annotated Anodyne CCc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120984 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)ncc4[nH]3)nn12 ZINC000587120991 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cncc(Cl)c4[nH]3)nn12 ZINC000587121020 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cnc(Cl)[nH]c-4n3)nn12 ZINC000587121022 JK Annotated Anodyne Oc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121035 JK Annotated Anodyne Cc1nccc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121051 JK Annotated Anodyne Cc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121064 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(Cl)nc4[nH]3)nn12 ZINC000587121083 JK Annotated Anodyne Oc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121096 JK Annotated Anodyne COc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121099 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cnccc4[nH]3)nn12 ZINC000587121107 JK Annotated Anodyne C=CCc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121114 JK Annotated Mild Cc1cnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121120 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4nc(Cl)c[nH]c-4n3)nn12 ZINC000587121122 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Cl)ncnc4[nH]3)nn12 ZINC000587121129 JK Annotated Anodyne Cc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1C ZINC000587121131 JK Annotated Anodyne Cc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121140 JK Annotated Anodyne COc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2n1 ZINC000587121141 JK Annotated Anodyne Fc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121144 JK Annotated Anodyne Cc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2n1 ZINC000587121147 JK Annotated Anodyne Cc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1F ZINC000587121156 JK Annotated Anodyne COc1nccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121160 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccnc(Cl)c4[nH]3)nn12 ZINC000587121162 JK Annotated Anodyne COc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121169 JK Annotated Anodyne Fc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1F ZINC000587121173 JK Annotated Anodyne OCc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121193 JK Annotated Anodyne Fc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121196 JK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Cl)ccnc4[nH]3)nn12 ZINC000587121197 JK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587121202 JK Annotated Anodyne Fc1cnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121205 JK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587121208 JK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccccc4[nH]3)nn12 ZINC000587121216 JK Annotated Anodyne Cc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1C ZINC000587121228 JK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587121236 JK Annotated Reactive FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)cnc4[nH]3)nn12 ZINC000587121243 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121248 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587121379 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587121383 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587121388 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587121390 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587121394 JK Annotated Bother CC(C)COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587121403 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587121413 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587121419 JK Annotated Mild Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587121425 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587121426 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587121435 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 ZINC000587121439 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc5cc(OC(F)(F)F)ccc5nc4C)[nH]c3c2)cc1 ZINC000587121445 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587121452 JK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587121462 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587121502 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587121515 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587121521 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587121526 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587121553 JK Annotated Bother FC(F)(F)Oc1ccc2c(-c3nc4c(Br)ccc(Br)c4[nH]3)n[nH]c2c1 ZINC000587121579 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587121596 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 ZINC000587121618 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587121620 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587121624 JK Annotated Clean Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587121628 JK Annotated Reactive COC(=O)c1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1OC ZINC000587121641 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587121643 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587121649 JK Annotated Mild CCCCCOc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587121652 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587121653 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587121664 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587121704 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cncc(Br)c2[nH]1 ZINC000587121732 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 ZINC000587121742 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587121768 JK Annotated Clean Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587121783 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587121791 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4sc(-c5ccc(OC(F)(F)F)cc5)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587121795 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587121802 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587121813 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587121818 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587121827 JK Annotated Clean Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587121829 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587121833 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587121834 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587121835 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587121851 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587121852 JK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587121861 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 ZINC000587121867 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587121869 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587121967 JK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587121976 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587121982 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 ZINC000587122037 JK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cc(Br)c(Br)cc4[nH]3)n[nH]c2c1 ZINC000587122079 JK Annotated Anodyne CCCOc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1Br ZINC000587122096 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 ZINC000587122101 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587122111 JK Annotated Mild Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587122119 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(I)c2[nH]1 ZINC000587122125 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587122126 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587122138 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587122144 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587122176 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587122184 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587122213 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587122218 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587122229 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587122236 JK Annotated Mild Cc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Br ZINC000587122381 JK Annotated Anodyne Cc1nc2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2cc1Br ZINC000587122395 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cccc(I)c3[nH]2)c1 ZINC000587122399 JK Annotated Anodyne Fc1c(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1F ZINC000587122446 JK Annotated Anodyne O=S(=O)(c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1)C(F)(F)F ZINC000587122450 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(I)cc3[nH]2)c1 ZINC000587122480 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587122584 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587122623 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587122634 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2cc1OC ZINC000587122636 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1Br ZINC000587122669 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587122677 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587122686 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587122691 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587122716 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587122741 JK Annotated Bother FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587122742 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587122782 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587122794 JK Annotated Mild FC(F)(F)Oc1cccc(CSCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587122801 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587122804 JK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587122813 JK Annotated Bother Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587122822 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587122860 JK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587122862 JK Annotated Bother COC(=O)c1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122863 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122864 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122867 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122868 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587122897 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587122902 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587122922 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587122923 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122978 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122981 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587122999 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587123001 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c21 ZINC000587123021 JK Annotated Clean CC(C)CCOc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587123031 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587123034 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587123044 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(SC(F)(F)F)cc5)[nH]c4c3)o2)cc1 ZINC000587123093 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(SC(F)(F)F)cc5)[nH]c4c3)o2)cc1 ZINC000587123097 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587123114 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587123136 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587123293 JK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587123380 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587123381 JK Annotated Anodyne CCCCOc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587123458 JK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123577 JK Annotated Anodyne Cc1cc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123625 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587123639 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587123641 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587123643 JK Annotated Mild FC(F)(F)Sc1ccc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587123656 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587123657 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587123663 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587123664 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 ZINC000587123725 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587123734 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587123738 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587123792 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587123825 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(Br)c2[nH]1 ZINC000587123867 JK Annotated Anodyne CC(C)COc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587124074 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587124115 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 ZINC000587124155 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 ZINC000587124158 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Br ZINC000587124180 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587124259 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587124263 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587124351 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587124364 JK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587124387 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587124447 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2N1 ZINC000587124485 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2N1 ZINC000587124486 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2N1 ZINC000587124487 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2N1 ZINC000587124488 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587124559 JK Annotated Anodyne OC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587124560 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(O)CCC(C(F)(F)F)CC5)[nH]c4c3)o2)cc1 ZINC000587124576 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587124622 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124626 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587124629 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587124633 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124634 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587124635 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587124636 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587124637 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587124640 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587124641 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587124704 JK Annotated Mild FC(F)(F)Sc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587124705 JK Annotated Mild FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587124813 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587124815 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587124831 JK Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587124834 JK Annotated Mild C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587124836 JK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587124842 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587124843 JK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587124844 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124902 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124905 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587124918 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587124919 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124931 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124934 JK Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587124962 JK Annotated Reactive Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587124979 JK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587124997 JK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587125007 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587125022 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587125032 JK Annotated Anodyne CC(C)Oc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587125116 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125219 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587125220 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587125222 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@@H](C)N6)[nH]c4c3)o2)cc1 ZINC000587125366 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@H](C)N6)[nH]c4c3)o2)cc1 ZINC000587125377 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@@H](C)N6)[nH]c4c3)o2)cc1 ZINC000587125379 JK Annotated Anodyne OC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125387 JK Annotated Reactive Cc1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125417 JK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c21 ZINC000587125465 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c21 ZINC000587125466 JK Annotated Clean COC(=O)c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587125475 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2N1 ZINC000587125535 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2N1 ZINC000587125536 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2N1 ZINC000587125537 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2N1 ZINC000587125538 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@H](C)N6)[nH]c4c3)o2)cc1 ZINC000587125637 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 ZINC000587125638 JK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125849 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 ZINC000587125853 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 ZINC000587125855 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 ZINC000587125892 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 ZINC000587125896 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587126048 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587126053 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587126054 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587126055 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2N1 ZINC000587126126 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2N1 ZINC000587126127 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2N1 ZINC000587126128 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2N1 ZINC000587126129 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587126185 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1)C(F)(F)F ZINC000587126311 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1)C(F)(F)F ZINC000587126317 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587126408 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587126409 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587126427 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587126430 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587126432 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587126433 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587126478 JK Annotated Anodyne CCCOc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587126482 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587126584 JK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587126585 JK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126607 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br ZINC000587126655 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587126679 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587126683 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587126687 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587126688 JK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587126689 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br ZINC000587126743 JK Annotated Mild FC(F)(F)Oc1ccc2c(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587126753 JK Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)n1 ZINC000587126827 JK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587127008 JK Annotated Mild FC(F)(F)Oc1ccc2c(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587127072 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5n[nH]c6cc(OC(F)(F)F)ccc56)nc4c3)o2)cc1 ZINC000587127110 JK Annotated Anodyne CCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127178 JK Annotated Anodyne CCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127179 JK Annotated Anodyne CCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127181 JK Annotated Anodyne CCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127182 JK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)n[nH]c2c1 ZINC000587127207 JK Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1)C(F)(F)F ZINC000587127225 JK Annotated Reactive FC(F)(F)Oc1ccc2c(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)n[nH]c2c1 ZINC000587127235 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br ZINC000587127272 JK Annotated Mild C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127275 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127276 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127277 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127278 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587127297 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587127298 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587127299 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587127300 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127315 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127317 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127318 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127320 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c(F)c1Nc1ccccc1 ZINC000587127345 JK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587127358 JK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)n[nH]c2c1 ZINC000587127395 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127445 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127446 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127447 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127448 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127483 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127484 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127485 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127486 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127488 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127489 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127490 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587127491 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587127493 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587127494 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587127495 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587127496 JK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2N1 ZINC000587127507 JK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2N1 ZINC000587127508 JK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2N1 ZINC000587127509 JK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2N1 ZINC000587127510 JK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587127597 JK Annotated Anodyne Cc1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587127598 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c21 ZINC000587127772 JK Annotated Clean FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587127795 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587127904 JK Annotated Mild Oc1nc(NCc2ccccc2)c2nc(-c3sc(-c4ccccc4)nc3C(F)F)nc-2[nH]1 ZINC000587127914 JK Annotated Anodyne C[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127974 JK Annotated Anodyne C[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127975 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587127991 JK Annotated Anodyne Cn1nnc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C(F)F ZINC000587127994 JK Annotated Reactive FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587128061 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587128090 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587128094 JK Annotated Anodyne C[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128106 JK Annotated Clean C[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128107 JK Annotated Clean Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587128119 JK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587128136 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br ZINC000587128272 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br ZINC000587128279 JK Annotated Mild FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587128328 JK Annotated Anodyne FC(F)c1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cnc2ncnn12 ZINC000587128360 JK Annotated Reactive FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000587128380 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 ZINC000587128388 JK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128424 JK Annotated Bother C[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128429 JK Annotated Bother Cc1cc(Cl)cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587128434 JK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1F ZINC000587128448 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587128452 JK Annotated Anodyne CC(C)COc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587128480 JK Annotated Anodyne CC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587128545 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(C)(C)C)cc5[nH]4)c3n2)cnn1C ZINC000587128591 JK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1C ZINC000587128639 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587128699 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(I)cc2[nH]1 ZINC000587128701 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587128716 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587128719 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 ZINC000587128762 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cccc(I)c2[nH]1 ZINC000587128777 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587128790 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)c(F)cc5[nH]4)c3n2)cnn1C ZINC000587128830 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587128832 JK Annotated Reactive COC(=O)c1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587128834 JK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Cl ZINC000587128883 JK Annotated Anodyne CCc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587128907 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)cc1 ZINC000587128919 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)cc1 ZINC000587128926 JK Annotated Anodyne Cc1c(Br)cnc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c12 ZINC000587128973 JK Annotated Anodyne COc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Cl ZINC000587128985 JK Annotated Anodyne Cn1nc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587128995 JK Annotated Anodyne Cc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Cl ZINC000587128999 JK Annotated Anodyne Cn1nc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129020 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(OC(F)F)c(OCC)c3)nc2c1 ZINC000587129032 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(OC(F)F)c(OCC)c3)nc2c1 ZINC000587129040 JK Annotated Anodyne Cn1nc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129045 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587129058 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587129060 JK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 ZINC000587129081 JK Annotated Anodyne Cn1nc(-c2nc3c(C(F)(F)F)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129095 JK Annotated Anodyne Cn1nc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129099 JK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587129110 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587129168 JK Annotated Anodyne Cn1nc(-c2nc3c(O)c(Br)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129184 JK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 ZINC000587129190 JK Annotated Anodyne CCCCOc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587129234 JK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587129270 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587129281 JK Annotated Bother FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587129294 JK Annotated Anodyne Cc1c(Cl)ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587129300 JK Annotated Anodyne CCCCCOc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587129314 JK Annotated Anodyne CCCOc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587129320 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129354 JK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129356 JK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(F)c5[nH]4)c3n2)cnn1C ZINC000587129407 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(OC(C)C)cc5[nH]4)c3n2)cnn1C ZINC000587129420 JK Annotated Anodyne C[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129433 JK Annotated Mild C[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129434 JK Annotated Mild CCCOc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587129440 JK Annotated Anodyne CCCOc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587129443 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc6c(c5[nH]4)CCCC6)c3n2)cnn1C ZINC000587129462 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(F)cnc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587129475 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)c(F)c(F)c5[nH]4)c3n2)cnn1C ZINC000587129481 JK Annotated Anodyne Cc1cc(F)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587129499 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587129514 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587129516 JK Annotated Anodyne C[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129521 JK Annotated Anodyne C[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129525 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587129612 JK Annotated Bother CCOc1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587129654 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587129657 JK Annotated Anodyne Cn1nc(-c2nc3c(Br)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129665 JK Annotated Anodyne Cn1nc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129769 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)cc(F)c5[nH]4)c3n2)cnn1C ZINC000587129823 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C#N)cc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587129878 JK Annotated Mild Cc1c(Br)cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1C ZINC000587129891 JK Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1C ZINC000587129892 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(F)c(F)c5[nH]4)c3n2)cnn1C ZINC000587129901 JK Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129904 JK Annotated Anodyne C[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129905 JK Annotated Anodyne C[C@H](c1nc2cccc(I)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129908 JK Annotated Anodyne C[C@@H](c1nc2cccc(I)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129909 JK Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129913 JK Annotated Mild C[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129914 JK Annotated Mild Cc1cnc(Cl)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc12 ZINC000587129915 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(C)(C)C)nc5[nH]4)c3n2)cnn1C ZINC000587129919 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587129923 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587129929 JK Annotated Anodyne Cc1cc(Br)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 ZINC000587129930 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587129943 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587129945 JK Annotated Anodyne Cc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1F ZINC000587129952 JK Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC(F)(F)C1 ZINC000587129959 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587129966 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587129967 JK Annotated Anodyne Cn1nc(-c2nc3c(Br)cc(C#N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129969 JK Annotated Mild Cn1nc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129970 JK Annotated Mild Cn1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129973 JK Annotated Bother Cn1nc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129975 JK Annotated Mild Cn1nc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129976 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587130024 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587130027 JK Annotated Anodyne Cn1nc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130034 JK Annotated Anodyne Cn1nc(-c2nc3c(F)cc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130050 JK Annotated Anodyne Cn1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130072 JK Annotated Bother Cn1nc(-c2nc3c(F)c(Br)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130079 JK Annotated Anodyne Cn1nc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130080 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)cc(F)c5[nH]4)c3n2)cnn1C ZINC000587130226 JK Annotated Anodyne C[C@H](c1nc2cc(C#N)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130228 JK Annotated Mild C[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130229 JK Annotated Mild C[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130242 JK Annotated Anodyne C[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130243 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc12 ZINC000587130256 JK Annotated Anodyne Cc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1C ZINC000587130260 JK Annotated Anodyne C[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130266 JK Annotated Anodyne C[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130267 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130269 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130270 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6ccccc6cc5[nH]4)c3n2)cnn1C ZINC000587130271 JK Annotated Anodyne Cn1nc(-c2nc3cc(Br)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130283 JK Annotated Anodyne C[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130284 JK Annotated Mild C[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130285 JK Annotated Mild Cn1nc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130286 JK Annotated Anodyne C[C@H](c1nc2ccc(I)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130288 JK Annotated Anodyne C[C@@H](c1nc2ccc(I)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130290 JK Annotated Anodyne C[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130337 JK Annotated Anodyne C[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130340 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130341 JK Annotated Bother C[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130344 JK Annotated Bother CCOc1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587130355 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587130357 JK Annotated Anodyne Cn1nc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130380 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587130384 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587130385 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(I)cc3[nH]2)ccc1OC(F)F ZINC000587130431 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(I)cc3[nH]2)ccc1OC(F)F ZINC000587130432 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130437 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130438 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F ZINC000587130442 JK Annotated Bother CCOc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F ZINC000587130443 JK Annotated Bother Cn1nc(-c2nc3c(Br)c(F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130446 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(I)c3[nH]2)ccc1OC(F)F ZINC000587130450 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(I)c3[nH]2)ccc1OC(F)F ZINC000587130451 JK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130517 JK Annotated Mild C[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130518 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130535 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130536 JK Annotated Anodyne Cc1c(F)ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130539 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130548 JK Annotated Mild C[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130549 JK Annotated Mild C[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130551 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130552 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587130553 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587130554 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cnc6ccccc6c5[nH]4)c3n2)cnn1C ZINC000587130555 JK Annotated Anodyne C[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130569 JK Annotated Clean C[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130570 JK Annotated Clean Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C(C)(C)C)c5[nH]4)c3n2)cnn1C ZINC000587130574 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130575 JK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130576 JK Annotated Mild C[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130577 JK Annotated Anodyne C[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130578 JK Annotated Anodyne C[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130581 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587130582 JK Annotated Anodyne C[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130583 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587130584 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130600 JK Annotated Mild C[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130601 JK Annotated Mild CCOc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130613 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130614 JK Annotated Anodyne Cn1nc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130615 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587130629 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587130630 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(F)cc5[nH]4)c3n2)cnn1C ZINC000587130640 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587130646 JK Annotated Anodyne FC(F)Oc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587130660 JK Annotated Reactive Cn1nc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130662 JK Annotated Bother Cn1nc(-c2nc3c(Br)ncc(F)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130679 JK Annotated Anodyne Cn1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130693 JK Annotated Bother Cn1nc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130718 JK Annotated Anodyne CCCCOc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587130811 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130812 JK Annotated Anodyne C[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130813 JK Annotated Anodyne Cc1ccc2c(ccc3nc(Cn4nc(C5CC5)c5c(C(F)F)cc(-c6cnn(C)c6C)nc54)[nH]c32)n1 ZINC000587130822 JK Annotated Anodyne C[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130823 JK Annotated Reactive C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130824 JK Annotated Reactive Cc1cc(C)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587130825 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587130828 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587130829 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587130841 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc6ncccc6c5[nH]4)c3n2)cnn1C ZINC000587130855 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)c(F)cc5[nH]4)c3n2)cnn1C ZINC000587130864 JK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Cl)cc5[nH]4)c3n2)cnn1C ZINC000587130866 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130870 JK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130871 JK Annotated Mild Cc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587130885 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130888 JK Annotated Anodyne C[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130890 JK Annotated Anodyne CSc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587130901 JK Annotated Anodyne Cc1cc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2cc1[N+](=O)[O-] ZINC000587130913 JK Annotated Bother Cc1c(Br)ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 ZINC000587130917 JK Annotated Anodyne Cn1nc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130931 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)ccc1OC(F)F ZINC000587130932 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)ccc1OC(F)F ZINC000587130933 JK Annotated Anodyne Cn1nc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130934 JK Annotated Anodyne Cc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1C ZINC000587130936 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000587130938 JK Annotated Reactive CCOc1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000587130940 JK Annotated Reactive Cn1nc(-c2nc3c(Br)cc(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130959 JK Annotated Anodyne C=CCc1cccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130961 JK Annotated Mild Cn1nc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130975 JK Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131030 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587131033 JK Annotated Mild CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1OC(F)F ZINC000587131035 JK Annotated Mild CCCCCOc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br ZINC000587131050 JK Annotated Anodyne CC(C)CCOc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br ZINC000587131060 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587131064 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587131065 JK Annotated Anodyne Cn1nc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131082 JK Annotated Clean Cc1ccc2c(ccc3[nH]c(-c4nn(C)c5nccc(-c6cccc(OC(F)F)c6)c45)nc32)n1 ZINC000587131121 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587131149 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587131150 JK Annotated Anodyne Cn1nc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131153 JK Annotated Anodyne Cn1nc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131156 JK Annotated Anodyne Cn1nc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131163 JK Annotated Anodyne Cn1nc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131172 JK Annotated Anodyne Cc1nc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2cc1Br ZINC000587131181 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587131189 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587131190 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000587131217 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000587131218 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587131219 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587131220 JK Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131228 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1OC(F)F ZINC000587131243 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1OC(F)F ZINC000587131244 JK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)C2)c1 ZINC000587131269 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131296 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131322 JK Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131355 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1OC(F)F ZINC000587131366 JK Annotated Clean CCOc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1OC(F)F ZINC000587131367 JK Annotated Clean CCOc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1OC(F)F ZINC000587131371 JK Annotated Bother CCOc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1OC(F)F ZINC000587131372 JK Annotated Bother CCCCCOc1cc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587131377 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587131378 JK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1C ZINC000587131400 JK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1OC(F)F ZINC000587131401 JK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1OC(F)F ZINC000587131402 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587131403 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587131404 JK Annotated Anodyne Cn1nc(-c2nc3cc(F)c(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131405 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 ZINC000587131471 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br ZINC000587131503 JK Annotated Mild CC(C)OC(=O)C1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC(F)(F)C1 ZINC000587131518 JK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3c2)cc1 ZINC000587131584 JK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)C2)c1 ZINC000587131598 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(C5CC(F)(c6cccc(F)c6)C5)[nH]c4c3)o2)cc1 ZINC000587131602 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C(F)(F)C1 ZINC000587131642 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C(F)(F)C1 ZINC000587131643 JK Annotated Anodyne O=C(O)c1cc2[nH]c(C3(F)CCCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587131695 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587131781 JK Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587131782 JK Annotated Mild CCCCCOc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587131786 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587131789 JK Annotated Anodyne COC(=O)c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587131860 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1F ZINC000587131871 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1F ZINC000587131872 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587132083 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587132084 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132106 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132107 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587132126 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587132127 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132172 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132173 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132189 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132190 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587132210 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587132211 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132225 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132226 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587132230 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587132231 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132254 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132255 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587132261 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587132262 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132264 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132265 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132276 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132277 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CN(C(=O)OC(C)(C)C)CC5(F)F)[nH]c4c3)o2)cc1 ZINC000587132303 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CN(C(=O)OC(C)(C)C)CC5(F)F)[nH]c4c3)o2)cc1 ZINC000587132304 JK Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587132339 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2cc1Br ZINC000587132398 JK Annotated Mild CC(C)CCOc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132433 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132442 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3c2)cc1 ZINC000587132454 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3c2)cc1 ZINC000587132457 JK Annotated Anodyne CC(C)COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587132521 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c1F ZINC000587132529 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c1F ZINC000587132531 JK Annotated Anodyne CCCOc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132540 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132542 JK Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587132696 JK Annotated Reactive COC(=O)c1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587132722 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587132723 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(C(=O)c5c(Cl)ccc(F)c5Cl)nc4c3)o2)cc1 ZINC000587132750 JK Annotated Anodyne O=C(c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132778 JK Annotated Anodyne COc1c(F)ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1N ZINC000587132781 JK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587132785 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587132786 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587132797 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C(F)(F)C1 ZINC000587132798 JK Annotated Anodyne O=C(c1nc2cc(Br)c(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132802 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587132819 JK Annotated Anodyne CCCCOc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587132830 JK Annotated Anodyne O=C(c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132905 JK Annotated Anodyne Cc1c(F)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587132937 JK Annotated Bother Fc1c(F)c(F)c(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1F ZINC000587133085 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1F ZINC000587133086 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587133120 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587133121 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C(F)(F)C1 ZINC000587133129 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)C(F)(F)C1 ZINC000587133130 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1F ZINC000587133136 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1F ZINC000587133137 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587133141 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587133142 JK Annotated Anodyne CCCCCOc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587133202 JK Annotated Anodyne COC(=O)c1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c(F)c1Nc1ccccc1 ZINC000587133215 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(F)ccc(F)c3OC)[nH]c2cc1Br ZINC000587133242 JK Annotated Mild O=C(c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133316 JK Annotated Anodyne O=C(c1nc2c(Br)ncc(Br)c2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133372 JK Annotated Anodyne O=C(c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133379 JK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133532 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1 ZINC000587133567 JK Annotated Anodyne O=C(c1nc2c(Br)ccc(Br)c2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133575 JK Annotated Anodyne O=C(c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133577 JK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133610 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5c(F)c(F)c(F)c(F)c5F)[nH]c4c3)o2)cc1 ZINC000587133727 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5c(F)c(F)c(F)c(F)c5F)[nH]c4c3)o2)cc1 ZINC000587133728 JK Annotated Anodyne Fc1c(F)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c(F)c1S ZINC000587133745 JK Annotated Anodyne Fc1c(F)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c(F)c(F)c1S ZINC000587133757 JK Annotated Anodyne COC(=O)c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587133766 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1F ZINC000587133775 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1F ZINC000587133776 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)cc1 ZINC000587133908 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)cc1 ZINC000587133909 JK Annotated Anodyne Fc1c(F)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c(F)c(F)c1S ZINC000587133962 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1F ZINC000587133983 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1F ZINC000587133984 JK Annotated Mild CCCCCOc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587133996 JK Annotated Anodyne Fc1c(F)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c(F)c1S ZINC000587134131 JK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134144 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134145 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1F ZINC000587134152 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1F ZINC000587134153 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(F)c(OC)c3N)[nH]c2cc1Br ZINC000587134176 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2cc1Br ZINC000587134273 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2cc1Br ZINC000587134443 JK Annotated Mild Fc1c(F)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c(F)c1S ZINC000587134509 JK Annotated Mild Nc1c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587134549 JK Annotated Reactive COc1c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587134552 JK Annotated Reactive Fc1c(F)c(F)c(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1F ZINC000587134787 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1F ZINC000587134793 JK Annotated Mild Fc1c(F)c(F)c(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1F ZINC000587134819 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1F ZINC000587134827 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587134863 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587134864 JK Annotated Anodyne O=S(=O)(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134916 JK Annotated Reactive Oc1c(F)cc(F)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587134966 JK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 ZINC000587134972 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587135053 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1F ZINC000587135105 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1F ZINC000587135106 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135149 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135150 JK Annotated Anodyne Nc1c(F)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587135170 JK Annotated Bother Fc1c(F)c(F)c(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1F ZINC000587135179 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1F ZINC000587135180 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5c(F)c(F)c(S)c(F)c5F)[nH]c4c3)o2)cc1 ZINC000587135194 JK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1F ZINC000587135312 JK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1F ZINC000587135314 JK Annotated Mild Fc1c(F)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c(F)c1S ZINC000587135393 JK Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3cc(I)cnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135438 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135482 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc([N+](=O)[O-])c1 ZINC000587135518 JK Annotated Bother CCCCOc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587135533 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135561 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135565 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135571 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135574 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135577 JK Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135584 JK Annotated Bother CNc1c(F)cccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587135613 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135622 JK Annotated Bother CCCOc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587135640 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135655 JK Annotated Mild CC(C)(C)Oc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(N)cc1F ZINC000587135746 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587135756 JK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135805 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135810 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cccc(I)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135852 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135879 JK Annotated Bother CC(C)(C)Oc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(N)cc1F ZINC000587135926 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(OC(C)(C)C)c(F)cc5N)[nH]c4c3)o2)cc1 ZINC000587135954 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(N)cc1F ZINC000587135989 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587135991 JK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136013 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136015 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136019 JK Annotated Bother CCCCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587136043 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136132 JK Annotated Bother CCCOc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br ZINC000587136135 JK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc([N+](=O)[O-])c1 ZINC000587136142 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136155 JK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136185 JK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 ZINC000587136189 JK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136298 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136311 JK Annotated Mild COC(=O)c1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587136313 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)c(F)cc5F)[nH]c4c3)o2)cc1 ZINC000587136319 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587136339 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136377 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136397 JK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587136454 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br ZINC000587136473 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587136483 JK Annotated Mild CCCCOc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br ZINC000587136490 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(N)cc1F ZINC000587136522 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136593 JK Annotated Bother CC(C)(C)Oc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(N)cc1F ZINC000587136609 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136618 JK Annotated Bother CC(C)(C)Oc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(N)cc1F ZINC000587136646 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(N)cc1F ZINC000587136663 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136701 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136714 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CN(C)c5cc(C)c(F)cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587136726 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 ZINC000587136746 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2c1 ZINC000587136771 JK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc([N+](=O)[O-])c1 ZINC000587136812 JK Annotated Clean Fc1cc(Br)c(Cl)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587136814 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587136817 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136899 JK Annotated Bother COC(=O)c1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587136908 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587136917 JK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587136929 JK Annotated Anodyne CCCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587136951 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(Br)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136989 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137011 JK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587137045 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br ZINC000587137082 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587137084 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587137085 JK Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587137095 JK Annotated Reactive Fc1cc(Br)c(Cl)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587137096 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3c(Br)ccc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137149 JK Annotated Bother COC(=O)c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587137242 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587137244 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587137248 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587137271 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587137292 JK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587137294 JK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587137310 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br ZINC000587137319 JK Annotated Mild CC(C)Oc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br ZINC000587137322 JK Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137392 JK Annotated Bother Cc1cc(N(C)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137406 JK Annotated Bother CCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587137407 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 ZINC000587137521 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587137527 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1Br ZINC000587137593 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)c(C)cc5Br)[nH]c4c3)o2)cc1 ZINC000587137595 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587137609 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000587137634 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1Br ZINC000587137668 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br ZINC000587137673 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000587137674 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587137693 JK Annotated Anodyne Fc1cc(F)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1Br ZINC000587137734 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br ZINC000587137736 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587137744 JK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587137749 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1F ZINC000587137767 JK Annotated Anodyne Fc1cc(F)c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1Br ZINC000587137784 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1F ZINC000587137804 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br ZINC000587137823 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1Br ZINC000587137834 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1Br ZINC000587137891 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1Br ZINC000587137914 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F ZINC000587137962 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587137964 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587137979 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587137980 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(F)c2)c1 ZINC000587137982 JK Annotated Bother COC(=O)c1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000587137985 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1C ZINC000587138063 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1Br ZINC000587138074 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587138079 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(C)cc3Br)nc2c1 ZINC000587138090 JK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1F ZINC000587138096 JK Annotated Anodyne Fc1cc(F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1Br ZINC000587138101 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1Br ZINC000587138124 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2cc1Br ZINC000587138127 JK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1Br ZINC000587138154 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(F)c2)c1 ZINC000587138155 JK Annotated Mild Cc1cc(Br)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F ZINC000587138174 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)c(Br)cc5F)[nH]c4c3)o2)cc1 ZINC000587138190 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc(I)c4[nH]3)c(F)c2)c1 ZINC000587138208 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587138231 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(F)c2)c1 ZINC000587138237 JK Annotated Bother CC(C)Oc1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cc1Br ZINC000587138259 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(F)c2)c1 ZINC000587138263 JK Annotated Reactive O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587138272 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138354 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(F)c2)c1 ZINC000587138426 JK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)ccc2F)cc1F ZINC000587138465 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138470 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138475 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587138519 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587138521 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2c1 ZINC000587138530 JK Annotated Mild O=C(O)c1ccc(-c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)ccc2F)cc1F ZINC000587138568 JK Annotated Clean N#Cc1cc(Br)c2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587138581 JK Annotated Mild O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(F)c2)c1 ZINC000587138604 JK Annotated Clean Fc1cc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(F)c1F ZINC000587138615 JK Annotated Reactive O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(F)c2)c1 ZINC000587138654 JK Annotated Bother O=C(O)c1ccc(-c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2F)cc1F ZINC000587138701 JK Annotated Bother O=C(O)c1ccc(-c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)ccc2F)cc1F ZINC000587138728 JK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)ccc2F)cc1F ZINC000587138751 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587138765 JK Annotated Mild O=C(O)c1ccc(-c2cc(-c3nc4cccc(I)c4[nH]3)ccc2F)cc1F ZINC000587138766 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138929 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587138931 JK Annotated Bother O=C(O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)ccc2F)cc1F ZINC000587138940 JK Annotated Mild O=C(O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)ccc2F)cc1F ZINC000587138959 JK Annotated Mild O=C(O)c1ccc(F)c(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(F)c2)c1 ZINC000587138983 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587139027 JK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587139071 JK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2c1 ZINC000587139079 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587139083 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(I)cnc4[nH]3)ccc2F)cc1 ZINC000587139254 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)ccc2F)cc1 ZINC000587139281 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587139304 JK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4cccc(I)c4[nH]3)ccc2F)cc1 ZINC000587139317 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)cc([N+](=O)[O-])c5F)[nH]c4c3)o2)cc1 ZINC000587139351 JK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)ccc2F)cc1 ZINC000587139459 JK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)nc2c1 ZINC000587139479 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587139481 JK Annotated Anodyne Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1F ZINC000587139487 JK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139501 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc2F)cc1 ZINC000587139544 JK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)ccc2F)cc1 ZINC000587139579 JK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587139606 JK Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587139613 JK Annotated Reactive CCCCCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587139659 JK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139685 JK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(F)c2)c1 ZINC000587139714 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)ccc2F)cc1 ZINC000587139742 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)ccc2F)cc1 ZINC000587139759 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139770 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)ccc2F)cc1 ZINC000587139834 JK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc2F)cc1 ZINC000587139835 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587139867 JK Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587139920 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587139935 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccccc4NS(=O)(=O)c4cc(F)ccc4F)[nH]c3c2)cc1 ZINC000587139939 JK Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1)c1cc(F)ccc1F ZINC000587139986 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587140063 JK Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587140064 JK Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587140112 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587140115 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1)c1cc(F)ccc1F ZINC000587140122 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cc(F)ccc1F ZINC000587140144 JK Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cc(F)ccc1F ZINC000587140152 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587140186 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140215 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587140217 JK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F ZINC000587140247 JK Annotated Bother Fc1cc(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(F)c1F ZINC000587140258 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br ZINC000587140308 JK Annotated Mild O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F ZINC000587140330 JK Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587140340 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587140379 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587140380 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cc(F)ccc1F ZINC000587140409 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccccc4NS(=O)(=O)c4cc(F)ccc4F)[nH]c32)n1 ZINC000587140427 JK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c32)n1 ZINC000587140428 JK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c32)n1 ZINC000587140430 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 ZINC000587140445 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587140516 JK Annotated Bother Fc1ccc(F)c(SCc2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 ZINC000587140517 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(I)cc4[nH]3)c2)c1 ZINC000587140526 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1 ZINC000587140537 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cccc(CSc4cc(F)ccc4F)c3)nc-2[nH]1 ZINC000587140539 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)c1 ZINC000587140541 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587140557 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587140565 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1cc(F)ccc1F ZINC000587140574 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cc(F)ccc1F ZINC000587140581 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587140733 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587140736 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cccc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587140762 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1)c1cc(F)ccc1F ZINC000587140785 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 ZINC000587140806 JK Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587140827 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1)c1cc(F)ccc1F ZINC000587140863 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587140870 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c1 ZINC000587140876 JK Annotated Reactive Cc1c(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1C ZINC000587140888 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 ZINC000587140898 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1)c1cc(F)ccc1F ZINC000587140905 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1 ZINC000587140909 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587140919 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 ZINC000587140932 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c21 ZINC000587140939 JK Annotated Clean CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587140948 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587140949 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587140959 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587140960 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587140984 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587140985 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587141012 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587141013 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587141026 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587141027 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587141031 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587141032 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1cc(F)ccc1F ZINC000587141056 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1C ZINC000587141060 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587141090 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1)c1cc(F)ccc1F ZINC000587141102 JK Annotated Anodyne N#Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1C(F)(F)F ZINC000587141146 JK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 ZINC000587141172 JK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1cc(F)ccc1F ZINC000587141182 JK Annotated Bother Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 ZINC000587141219 JK Annotated Mild CCCOc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587141255 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587141271 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587141283 JK Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587141284 JK Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587141297 JK Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587141298 JK Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587141352 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587141353 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587141396 JK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 ZINC000587141402 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 ZINC000587141418 JK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587141430 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)c1 ZINC000587141437 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587141440 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587141451 JK Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587141537 JK Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587141538 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1Br ZINC000587141558 JK Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587141568 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587141569 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587141587 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587141613 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)c1 ZINC000587141630 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587141631 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(I)cnc4[nH]3)c2)c1 ZINC000587141632 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587141666 JK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 ZINC000587141668 JK Annotated Bother Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587141673 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587141693 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(F)cnc2[nH]1 ZINC000587141699 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000587141707 JK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587141736 JK Annotated Bother Cc1cc(F)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587141740 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587141808 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587141828 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587141829 JK Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587141846 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587141864 JK Annotated Bother Cc1cc(C)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587141867 JK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587141927 JK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587141928 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587141945 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587141947 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587141991 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587141993 JK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142010 JK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142013 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587142021 JK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c32)n1 ZINC000587142031 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587142183 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc12 ZINC000587142191 JK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587142195 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587142223 JK Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587142244 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587142248 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587142249 JK Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587142269 JK Annotated Reactive COc1cccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142276 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000587142283 JK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587142284 JK Annotated Anodyne C=CCc1cccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142290 JK Annotated Mild CSc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142302 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587142312 JK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587142321 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc12 ZINC000587142325 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587142334 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587142337 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587142343 JK Annotated Bother CC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142349 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587142350 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587142360 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587142366 JK Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142367 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587142371 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587142376 JK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587142382 JK Annotated Anodyne Cc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587142391 JK Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587142392 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587142393 JK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142402 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587142426 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142461 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142462 JK Annotated Anodyne N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142501 JK Annotated Anodyne N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142502 JK Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142503 JK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142504 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142506 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142507 JK Annotated Anodyne CCCOc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142546 JK Annotated Anodyne CCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142547 JK Annotated Anodyne N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142613 JK Annotated Anodyne N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142614 JK Annotated Anodyne N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142620 JK Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142621 JK Annotated Anodyne N[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142633 JK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142634 JK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142640 JK Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142641 JK Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142691 JK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142692 JK Annotated Anodyne CCCCOc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142726 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587142727 JK Annotated Anodyne CCCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142728 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2F)c1 ZINC000587142731 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5F)[nH]c4c3)o2)cc1 ZINC000587142743 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2F)c1 ZINC000587142754 JK Annotated Bother COc1ccc(Cl)c(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2F)c1 ZINC000587142788 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc2F)c1 ZINC000587142798 JK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2F)c1 ZINC000587142803 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2F)c1 ZINC000587142808 JK Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)cc2F)c1 ZINC000587142810 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2F)c1 ZINC000587142818 JK Annotated Bother COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc2F)c1 ZINC000587142831 JK Annotated Anodyne N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142859 JK Annotated Anodyne N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142860 JK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142868 JK Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142869 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142878 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(S)ccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587142887 JK Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cc2F)c1 ZINC000587142940 JK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2F)c1 ZINC000587142944 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2F)c1 ZINC000587142950 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587142951 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)nc2c1 ZINC000587142957 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587142960 JK Annotated Bother COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2F)c1 ZINC000587142961 JK Annotated Anodyne COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587142963 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2F)c1 ZINC000587142972 JK Annotated Anodyne COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587142975 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587142979 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2F)c1 ZINC000587142981 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143006 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143022 JK Annotated Mild CC(C)COc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143030 JK Annotated Anodyne CC(C)COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143031 JK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587143051 JK Annotated Mild N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F ZINC000587143052 JK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(C)c4[nH]3)cc2F)c1 ZINC000587143089 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2F)c1 ZINC000587143090 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587143095 JK Annotated Mild N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587143100 JK Annotated Anodyne N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587143102 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143108 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143109 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)cc2F)c1 ZINC000587143134 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143192 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2F)c1 ZINC000587143198 JK Annotated Clean COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2F)c1 ZINC000587143202 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587143208 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2F)c1 ZINC000587143214 JK Annotated Reactive N#Cc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587143226 JK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)nc2c1 ZINC000587143238 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2F)c1 ZINC000587143252 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(I)cc4[nH]3)cc2F)c1 ZINC000587143258 JK Annotated Anodyne COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143275 JK Annotated Anodyne COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143311 JK Annotated Bother COc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143321 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143329 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143331 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143391 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cc2F)c1 ZINC000587143398 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)cc2F)c1 ZINC000587143403 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143411 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)nc2c1 ZINC000587143427 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2cc1Br ZINC000587143443 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143447 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143455 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc2F)c1 ZINC000587143464 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143468 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143487 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(I)c4[nH]3)cc2F)c1 ZINC000587143523 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2F)c1 ZINC000587143527 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2F)c1 ZINC000587143562 JK Annotated Bother CCCCOc1cc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2cc1Br ZINC000587143591 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F ZINC000587143606 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc2c1 ZINC000587143618 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1F ZINC000587143624 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F ZINC000587143659 JK Annotated Anodyne COc1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143665 JK Annotated Mild COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1F ZINC000587143714 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(I)c4[nH]3)cc2F)c1 ZINC000587143746 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2F)c1 ZINC000587143749 JK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2F)c1 ZINC000587143750 JK Annotated Anodyne COc1cc(-c2nc3cccc(I)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143753 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143760 JK Annotated Bother COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2F)c1 ZINC000587143762 JK Annotated Anodyne Cc1cc(-c2nc3ncc(Br)c(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587143789 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(I)cc3[nH]2)c(F)c1 ZINC000587143790 JK Annotated Anodyne COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143803 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1 ZINC000587143806 JK Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2F)c1 ZINC000587143833 JK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2F)c1 ZINC000587143846 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1 ZINC000587143852 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 ZINC000587143857 JK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2cc1Br ZINC000587143901 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587143992 JK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(F)c1 ZINC000587144051 JK Annotated Clean COc1ccc(C(=O)c2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F ZINC000587144087 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)nc2c1 ZINC000587144092 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2F)c1 ZINC000587144102 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144113 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2F)c1 ZINC000587144174 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144177 JK Annotated Mild COc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144182 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)cc2F)c1 ZINC000587144198 JK Annotated Anodyne N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144209 JK Annotated Reactive N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144210 JK Annotated Reactive COc1ccc(C(=O)c2ccccc2-c2nc3cccc(I)c3[nH]2)cc1F ZINC000587144215 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1F ZINC000587144228 JK Annotated Anodyne Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144241 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(F)c1 ZINC000587144242 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1 ZINC000587144247 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1 ZINC000587144252 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 ZINC000587144258 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 ZINC000587144259 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc2c1 ZINC000587144278 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1 ZINC000587144282 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(I)c3[nH]2)c(F)c1 ZINC000587144294 JK Annotated Anodyne Cc1cc(-c2nc3ncc(I)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144337 JK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144341 JK Annotated Mild N[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144345 JK Annotated Anodyne N[C@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144347 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 ZINC000587144371 JK Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144377 JK Annotated Anodyne Cc1cc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144384 JK Annotated Anodyne COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144401 JK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587144403 JK Annotated Anodyne COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144420 JK Annotated Anodyne COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144431 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2F)c1 ZINC000587144449 JK Annotated Anodyne COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144460 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)nc2c1 ZINC000587144464 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587144546 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F ZINC000587144549 JK Annotated Reactive COc1ccc(C(=O)c2ccccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1F ZINC000587144553 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)c2)cc1F ZINC000587144563 JK Annotated Reactive COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587144568 JK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1 ZINC000587144600 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587144602 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1F ZINC000587144637 JK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(F)c1 ZINC000587144646 JK Annotated Mild Cc1cc(-c2nc3c(Cl)ncc(Br)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144650 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1 ZINC000587144698 JK Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144718 JK Annotated Bother Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(F)c1 ZINC000587144729 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2c1 ZINC000587144736 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(Cl)c2)cc1F ZINC000587144758 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587144772 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587144776 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587144782 JK Annotated Anodyne Fc1cc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1-c1ccccc1 ZINC000587144817 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(F)c(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587144832 JK Annotated Bother COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587144956 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F ZINC000587144957 JK Annotated Bother COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F ZINC000587144958 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F ZINC000587144968 JK Annotated Bother COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F ZINC000587144975 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587145000 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(F)c1 ZINC000587145008 JK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(F)c1 ZINC000587145026 JK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145062 JK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145089 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1 ZINC000587145102 JK Annotated Reactive Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587145128 JK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F ZINC000587145131 JK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587145136 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587145192 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cc1Br ZINC000587145196 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1F ZINC000587145248 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F ZINC000587145263 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587145322 JK Annotated Anodyne Fc1cc(Cc2nc3cc(Br)c(Br)cc3[nH]2)ccc1-c1ccccc1 ZINC000587145330 JK Annotated Anodyne Fc1cc(Cc2nc3c(I)cnc(Cl)c3[nH]2)ccc1-c1ccccc1 ZINC000587145344 JK Annotated Anodyne Cc1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145412 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F ZINC000587145413 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587145429 JK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F ZINC000587145435 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1 ZINC000587145455 JK Annotated Bother Cc1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145468 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(Cl)c2)cc1F ZINC000587145494 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(Cl)c2)cc1F ZINC000587145520 JK Annotated Bother Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1 ZINC000587145527 JK Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145532 JK Annotated Bother Cc1ccc(-c2ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145537 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 ZINC000587145546 JK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145561 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(F)c1 ZINC000587145567 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145586 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145600 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587145622 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(-c6ccccc6)c(F)c5)[nH]c4c3)o2)cc1 ZINC000587145631 JK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587145635 JK Annotated Anodyne Fc1cc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1-c1ccccc1 ZINC000587145646 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(Cl)c2)cc1F ZINC000587145652 JK Annotated Mild Fc1cc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587145670 JK Annotated Anodyne Fc1cc(Cc2nc3c(Br)ccc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587145708 JK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587145710 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 ZINC000587145726 JK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587145776 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587145779 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(Cl)c2)cc1F ZINC000587145819 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(I)cnc4[nH]3)c(Cl)c2)cc1F ZINC000587145822 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587145832 JK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587145847 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 ZINC000587145850 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(Cl)c2)cc1F ZINC000587145895 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587145929 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cc1Br ZINC000587145933 JK Annotated Anodyne Fc1cc(Cc2nc3c(Br)cnc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587145960 JK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587145979 JK Annotated Anodyne Fc1cc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1-c1ccccc1 ZINC000587145990 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587146016 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 ZINC000587146019 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587146020 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(Cl)c2)cc1F ZINC000587146025 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cccc(I)c4[nH]3)c(Cl)c2)cc1F ZINC000587146036 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 ZINC000587146038 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(Cl)c2)cc1F ZINC000587146100 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(Cl)c2)cc1F ZINC000587146111 JK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587146114 JK Annotated Anodyne Cc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(F)c1 ZINC000587146252 JK Annotated Bother Cc1ccc(/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1F ZINC000587146303 JK Annotated Anodyne Cc1ccc(/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1F ZINC000587146304 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2cc1Br ZINC000587146471 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2cc1Br ZINC000587146472 JK Annotated Mild Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1F ZINC000587146514 JK Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1F ZINC000587146515 JK Annotated Anodyne Cc1ccc(/C=C/c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1F ZINC000587146525 JK Annotated Anodyne Cc1ccc(/C=C\c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1F ZINC000587146526 JK Annotated Anodyne Cc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587146796 JK Annotated Reactive Cc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587146797 JK Annotated Reactive COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c(F)c2)c1 ZINC000587146898 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c(F)c2)c1 ZINC000587146914 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587146936 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2)cc1F ZINC000587146951 JK Annotated Bother CCCCOc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587146960 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587146974 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(F)c2)c1 ZINC000587147003 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(F)c(Br)c4[nH]3)cc2)cc1F ZINC000587147013 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587147015 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)cc2)cc1F ZINC000587147016 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c(F)c2)c1 ZINC000587147027 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147038 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Br)cnc(Cl)c4[nH]3)cc2)cc1F ZINC000587147043 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587147048 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Cl)c(Br)cnc4[nH]3)cc2)cc1F ZINC000587147053 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587147065 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587147084 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2)cc1F ZINC000587147091 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(F)c2)c1 ZINC000587147120 JK Annotated Bother COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587147125 JK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(F)c2)c1 ZINC000587147136 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)nc2c1 ZINC000587147154 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147161 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587147164 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587147167 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c(F)c2)c1 ZINC000587147170 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587147172 JK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147175 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147194 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)c(C)c4[nH]3)cc2)cc1F ZINC000587147204 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587147205 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c(F)c1Nc1ccccc1 ZINC000587147250 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc(Cl)c4[nH]3)cc2)cc1F ZINC000587147264 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2)cc1F ZINC000587147288 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587147293 JK Annotated Mild CCNC(=O)c1ccc(-c2ccc(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1F ZINC000587147298 JK Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c(F)c2)c1 ZINC000587147307 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(C)c4[nH]3)c(F)c2)c1 ZINC000587147309 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2cc1Br ZINC000587147336 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147340 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(F)c2)c1 ZINC000587147343 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587147346 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)c(F)c2)c1 ZINC000587147347 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(F)c2)c1 ZINC000587147358 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587147359 JK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(F)c2)c1 ZINC000587147368 JK Annotated Bother COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587147373 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(I)cc4[nH]3)c(F)c2)c1 ZINC000587147377 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587147378 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147391 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2)cc1F ZINC000587147405 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(OCc5ccccc5)c4[nH]3)cc2)cc1F ZINC000587147406 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2)cc1F ZINC000587147414 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587147420 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)c(Br)cnc4[nH]3)cc2)cc1F ZINC000587147422 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587147453 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C#N)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147458 JK Annotated Mild CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(F)cnc(Br)c4[nH]3)cc2)cc1F ZINC000587147468 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2)cc1F ZINC000587147473 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c(F)c2)c1 ZINC000587147496 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587147501 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587147517 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc(C)c4[nH]3)cc2)cc1F ZINC000587147520 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147530 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147542 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(F)c2)c1 ZINC000587147544 JK Annotated Reactive COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(I)c4[nH]3)c(F)c2)c1 ZINC000587147562 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(F)c2)c1 ZINC000587147594 JK Annotated Clean COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587147625 JK Annotated Reactive COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587147627 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587147646 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147647 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587147650 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(F)c2)c1 ZINC000587147651 JK Annotated Bother Cc1ccc(-c2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(Cl)c2)cc1F ZINC000587147662 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147668 JK Annotated Mild Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587147700 JK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)c(F)c2)c1 ZINC000587147713 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)c(O)c4[nH]3)cc2)cc1F ZINC000587147718 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(OC(F)(F)F)c4[nH]3)cc2)cc1F ZINC000587147734 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587147737 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc(F)c4[nH]3)cc2)cc1F ZINC000587147741 JK Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587147752 JK Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)nc2c1 ZINC000587147753 JK Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587147757 JK Annotated Reactive COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147772 JK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587147779 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587147784 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2)cc1F ZINC000587147840 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)c(F)c(F)c4[nH]3)cc2)cc1F ZINC000587147860 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587147862 JK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587147866 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147893 JK Annotated Mild O=C1C[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147894 JK Annotated Mild CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)c(C)c(C)c4[nH]3)cc2)cc1F ZINC000587147931 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147972 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2)cc1F ZINC000587147986 JK Annotated Bother CCCCCOc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587147988 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147991 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2)cc1F ZINC000587148017 JK Annotated Clean CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(Br)c4[nH]3)cc2)cc1F ZINC000587148053 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)c(C)nc4[nH]3)cc2)cc1F ZINC000587148055 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)c(F)c4[nH]3)cc2)cc1F ZINC000587148062 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(I)c4[nH]3)cc2)cc1F ZINC000587148075 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148195 JK Annotated Anodyne O=C1C[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148197 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148203 JK Annotated Anodyne O=C1C[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148204 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148214 JK Annotated Anodyne O=C1C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148216 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587148345 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587148346 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587148387 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587148388 JK Annotated Anodyne COc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587148402 JK Annotated Reactive CCCOc1cc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2cc1Br ZINC000587148424 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587148496 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587148499 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)c(Br)cc3[nH]2)cc1F ZINC000587148501 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)c(Br)cc3[nH]2)cc1F ZINC000587148503 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)ccc(Br)c3[nH]2)cc1F ZINC000587148541 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)ccc(Br)c3[nH]2)cc1F ZINC000587148542 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)cnc(Br)c3[nH]2)cc1F ZINC000587148554 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)cnc(Br)c3[nH]2)cc1F ZINC000587148557 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587148558 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(OC)cc3F)[nH]c2cc1Br ZINC000587148568 JK Annotated Mild Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F ZINC000587148574 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F ZINC000587148577 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Br ZINC000587148746 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Br ZINC000587148748 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 ZINC000587148752 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 ZINC000587148753 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(F)c2)c(F)c1 ZINC000587148807 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc-2[nH]1 ZINC000587148836 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc-2[nH]1 ZINC000587148840 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587148898 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4ccc(OC)cc4F)cc3F)nc2c1 ZINC000587148910 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587148911 JK Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587148948 JK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587148949 JK Annotated Anodyne CCCOc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587148970 JK Annotated Anodyne CCCOc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587148973 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587149020 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587149033 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(I)cc3[nH]2)cc1F ZINC000587149052 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(I)cc3[nH]2)cc1F ZINC000587149056 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F ZINC000587149087 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F ZINC000587149102 JK Annotated Anodyne O=C1C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149110 JK Annotated Reactive O=C1C[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149112 JK Annotated Reactive Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587149256 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587149257 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587149282 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587149283 JK Annotated Anodyne CC(C)CCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br ZINC000587149367 JK Annotated Bother CC(C)COc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149391 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149399 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2cc1Br ZINC000587149431 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4ccc(OC)cc4F)cc3F)nc2c1 ZINC000587149434 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1 ZINC000587149523 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1 ZINC000587149528 JK Annotated Anodyne CCCCOc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149554 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149560 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587149727 JK Annotated Reactive Fc1cccc([C@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587149801 JK Annotated Reactive Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587149802 JK Annotated Reactive Fc1cccc([C@@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587149804 JK Annotated Reactive Fc1cccc([C@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587149805 JK Annotated Reactive Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587149875 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587149879 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587149881 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587149882 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587149903 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587149906 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F ZINC000587149945 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F ZINC000587149949 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587149963 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(F)c2)c(F)c1 ZINC000587149973 JK Annotated Bother COc1ccc(-c2ccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587149977 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587149997 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(F)c2)c(F)c1 ZINC000587150019 JK Annotated Bother COc1ccc(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587150032 JK Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587150045 JK Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587150052 JK Annotated Reactive CC(C)Oc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587150066 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587150068 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(I)c3[nH]2)cc1F ZINC000587150136 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(I)c3[nH]2)cc1F ZINC000587150138 JK Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587150152 JK Annotated Reactive C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587150156 JK Annotated Reactive COC(=O)c1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587150197 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587150198 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150235 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587150237 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587150240 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150244 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150246 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150248 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587150264 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587150268 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587150271 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587150273 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150274 JK Annotated Anodyne O=C1C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150276 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150278 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150280 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150282 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150285 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587150317 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587150318 JK Annotated Anodyne O=C1C[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150326 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(F)c2)c(F)c1 ZINC000587150327 JK Annotated Mild O=C1C[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150328 JK Annotated Anodyne O=C(O)c1cc2[nH]c(CCc3ccccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150425 JK Annotated Bother Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587150435 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587150436 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587150501 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587150503 JK Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587150553 JK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587150554 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587150571 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587150593 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587150595 JK Annotated Anodyne N[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1F ZINC000587150630 JK Annotated Reactive COc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587150679 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587150711 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587150722 JK Annotated Anodyne CCCOc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587150737 JK Annotated Anodyne CCCOc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587150738 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587150749 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587150765 JK Annotated Mild COc1ccc(-c2ccc(-c3nc4cccc(I)c4[nH]3)c(F)c2)c(F)c1 ZINC000587150793 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150836 JK Annotated Anodyne O=C1C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150837 JK Annotated Anodyne O=C1C[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150869 JK Annotated Anodyne O=C1C[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150871 JK Annotated Anodyne CCCCOc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587150897 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587150901 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587150919 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587150927 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587150976 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587150978 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587150983 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587150984 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc(-c6ccc(F)c(F)c6)nn5C)nc4c3)o2)cc1 ZINC000587150992 JK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br ZINC000587151018 JK Annotated Mild C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587151033 JK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587151034 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587151055 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587151058 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c21 ZINC000587151060 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c21 ZINC000587151064 JK Annotated Clean O=S(=O)(c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587151115 JK Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587151122 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587151134 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587151136 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587151155 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587151208 JK Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151213 JK Annotated Anodyne O=C1C[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151216 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3ccccc3F)[nH]c2c1 ZINC000587151277 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F ZINC000587151280 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587151313 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587151316 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587151324 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587151332 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587151333 JK Annotated Mild Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587151337 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1 ZINC000587151344 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1 ZINC000587151347 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](Nc5ccccc5)c5ccccc5F)[nH]c4c3)o2)cc1 ZINC000587151405 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Nc5ccccc5)c5ccccc5F)[nH]c4c3)o2)cc1 ZINC000587151412 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F ZINC000587151536 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587151639 JK Annotated Mild Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587151640 JK Annotated Mild Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F ZINC000587151641 JK Annotated Mild Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F ZINC000587151643 JK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151683 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151686 JK Annotated Bother CCCCCCCCOc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br ZINC000587151720 JK Annotated Mild COc1ccc(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 ZINC000587151756 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151839 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151840 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587151876 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587151878 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587151905 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F ZINC000587151985 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F ZINC000587151990 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F ZINC000587152019 JK Annotated Reactive Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F ZINC000587152023 JK Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152034 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152037 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152041 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152043 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587152186 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587152187 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587152217 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587152219 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587152290 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587152292 JK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br ZINC000587152293 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(I)cnc3[nH]2)cc1F ZINC000587152295 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(I)cnc3[nH]2)cc1F ZINC000587152300 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587152302 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587152304 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(F)c2)c(F)c1 ZINC000587152308 JK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587152310 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587152312 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587152388 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587152389 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587152427 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587152428 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587152456 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 ZINC000587152473 JK Annotated Mild COc1ccc(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(F)c2)c(F)c1 ZINC000587152556 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152558 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152559 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152560 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152561 JK Annotated Mild O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587152582 JK Annotated Bother Cc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152597 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1-c1ccccc1 ZINC000587152607 JK Annotated Anodyne Oc1c(Br)ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152617 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1-c1ccccc1 ZINC000587152641 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587152657 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1-c1ccccc1 ZINC000587152678 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152681 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)cc(F)c3[nH]2)n1-c1ccccc1 ZINC000587152702 JK Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152709 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cccc(C(F)(F)F)c3[nH]2)n1-c1ccccc1 ZINC000587152732 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)cnc3[nH]2)n1-c1ccccc1 ZINC000587152744 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(F)c2)c(F)c1 ZINC000587152798 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587152800 JK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F ZINC000587152826 JK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F ZINC000587152827 JK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F ZINC000587152828 JK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F ZINC000587152829 JK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587152861 JK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587152862 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)ncc3[nH]2)n1-c1ccccc1 ZINC000587152872 JK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152879 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152885 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cnc4ccccc4c3[nH]2)n1-c1ccccc1 ZINC000587152886 JK Annotated Anodyne CC(C)(C)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152892 JK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1Cl ZINC000587152893 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Cl ZINC000587152896 JK Annotated Bother CC(C)(C)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 ZINC000587152903 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccnc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152904 JK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1OC ZINC000587152905 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1-c1ccccc1 ZINC000587152908 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc4c(c3[nH]2)CCCC4)n1-c1ccccc1 ZINC000587152915 JK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152919 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cncc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152920 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(F)cnc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152926 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)n1-c1ccccc1 ZINC000587152931 JK Annotated Anodyne Cc1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587152933 JK Annotated Bother Cc1c(Br)ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152936 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1F ZINC000587152938 JK Annotated Bother Cc1c(Br)cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587152944 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4c(cc3[nH]2)OCCCO4)n1-c1ccccc1 ZINC000587152951 JK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Cl ZINC000587153015 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(F)c2)c(F)c1 ZINC000587153056 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(F)c(Br)c3[nH]2)n1-c1ccccc1 ZINC000587153069 JK Annotated Anodyne Fc1ccccc1-c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587153070 JK Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c32)n1 ZINC000587153074 JK Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153077 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)ncc3[nH]2)n1-c1ccccc1 ZINC000587153080 JK Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1OC ZINC000587153082 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153092 JK Annotated Mild Fc1ccccc1-c1nnc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)n1-c1ccccc1 ZINC000587153130 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(F)c(F)c(F)c3[nH]2)n1-c1ccccc1 ZINC000587153140 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587153180 JK Annotated Anodyne N#Cc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587153193 JK Annotated Mild Fc1ccccc1-c1nnc(SCc2nc3cccc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587153216 JK Annotated Anodyne Fc1ccccc1-c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587153218 JK Annotated Reactive O=C1CCc2cc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3cc2N1 ZINC000587153227 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4ccccc4cc3[nH]2)n1-c1ccccc1 ZINC000587153238 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(Br)c(F)c3[nH]2)n1-c1ccccc1 ZINC000587153243 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 ZINC000587153246 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153248 JK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587153253 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153259 JK Annotated Anodyne CC(C)Oc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153305 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587153309 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587153310 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 ZINC000587153312 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153321 JK Annotated Anodyne CN(C)CCOc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153445 JK Annotated Anodyne O=C(O)c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1F ZINC000587153452 JK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1OC ZINC000587153459 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(Br)cc3[nH]2)n1-c1ccccc1 ZINC000587153460 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4c(cc3[nH]2)OCCO4)n1-c1ccccc1 ZINC000587153464 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)n1-c1ccccc1 ZINC000587153491 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)n1-c1ccccc1 ZINC000587153524 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)n1-c1ccccc1 ZINC000587153552 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1-c1ccccc1 ZINC000587153576 JK Annotated Anodyne O=C(O)c1cc(F)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153618 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Br)ccnc3[nH]2)n1-c1ccccc1 ZINC000587153621 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587153622 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)n1-c1ccccc1 ZINC000587153635 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(F)cnc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153652 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)cnc3[nH]2)n1-c1ccccc1 ZINC000587153656 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(Br)nc3[nH]2)n1-c1ccccc1 ZINC000587153661 JK Annotated Anodyne COC(=O)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153669 JK Annotated Anodyne Cc1nc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1Br ZINC000587153670 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1-c1ccccc1 ZINC000587153676 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153677 JK Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153680 JK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1Br ZINC000587153688 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc4ncccc4c3[nH]2)n1-c1ccccc1 ZINC000587153698 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587153701 JK Annotated Mild Fc1ccccc1-c1nnc(SCc2nc3ccc(C(F)(F)F)cc3[nH]2)n1-c1ccccc1 ZINC000587153703 JK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)cc(F)c3[nH]2)n1-c1ccccc1 ZINC000587153704 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1)Nc1ccccc1F ZINC000587153761 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1ccccc1F ZINC000587153767 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587153823 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587153824 JK Annotated Anodyne C[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153845 JK Annotated Anodyne C[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153846 JK Annotated Anodyne C[C@@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153899 JK Annotated Anodyne C[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153900 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccccc1F ZINC000587153917 JK Annotated Bother O=C(COc1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1)Nc1ccccc1F ZINC000587153930 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587153936 JK Annotated Anodyne N#Cc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1C(F)(F)F ZINC000587153974 JK Annotated Mild O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587153975 JK Annotated Anodyne N#Cc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1C(F)(F)F ZINC000587153988 JK Annotated Mild O=C(COc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1)Nc1ccccc1F ZINC000587154001 JK Annotated Anodyne N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154023 JK Annotated Reactive N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154024 JK Annotated Reactive N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154025 JK Annotated Reactive N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154026 JK Annotated Reactive Cc1c(Br)cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1C ZINC000587154125 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587154156 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c1 ZINC000587154167 JK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4ccccc4OCC(=O)Nc4ccccc4F)[nH]c3c2)cc1 ZINC000587154226 JK Annotated Clean C[C@@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154401 JK Annotated Anodyne C[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154402 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 ZINC000587154416 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Nc1ccccc1F ZINC000587154419 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587154461 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccccc1F ZINC000587154465 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Nc1ccccc1F ZINC000587154482 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccccc1F ZINC000587154484 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587154493 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587154558 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587154636 JK Annotated Mild N[C@@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154652 JK Annotated Anodyne N[C@@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154653 JK Annotated Anodyne N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154654 JK Annotated Anodyne N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154655 JK Annotated Anodyne Fc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)nc1Br ZINC000587154668 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587154765 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1)Nc1ccccc1F ZINC000587154821 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587154823 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1ccccc1F ZINC000587154837 JK Annotated Clean O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587154838 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587154845 JK Annotated Mild Cc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Br ZINC000587154851 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ncc(Br)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587154901 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Br ZINC000587154909 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccccc1F ZINC000587154939 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1)Nc1ccccc1F ZINC000587154944 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587155009 JK Annotated Anodyne Fc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)nc1Br ZINC000587155066 JK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587155098 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3nc(CCC)n(-c4ccccc4F)n3)nc2cc1Br ZINC000587155109 JK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587155122 JK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587155129 JK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587155137 JK Annotated Anodyne CCCc1nc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587155139 JK Annotated Mild CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587155140 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587155266 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587155283 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccccc1F ZINC000587155288 JK Annotated Bother COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)nn1-c1ccccc1F ZINC000587155289 JK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587155341 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccccc1F ZINC000587155348 JK Annotated Bother CCCc1nc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587155359 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccccc1F ZINC000587155410 JK Annotated Bother O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587155422 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC)Oc3ccccc3F)[nH]c2cc1Br ZINC000587155443 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2cc1Br ZINC000587155444 JK Annotated Mild Fc1cc(Br)cnc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587155481 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2c(F)c1Nc1ccccc1 ZINC000587155483 JK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Nc1ccccc1F ZINC000587155499 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587155500 JK Annotated Mild CC[C@@H](Oc1ccccc1F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587155536 JK Annotated Reactive CC[C@H](Oc1ccccc1F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587155538 JK Annotated Reactive Fc1cc(Br)cnc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587155560 JK Annotated Reactive C[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155601 JK Annotated Anodyne C[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155602 JK Annotated Anodyne COC(=O)c1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587155703 JK Annotated Anodyne COC(=O)c1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587155704 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(C)C=C(c6ccccc6F)NO5)[nH]c4c3)o2)cc1 ZINC000587155711 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(C)C=C(c6ccccc6F)NO5)[nH]c4c3)o2)cc1 ZINC000587155712 JK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587155743 JK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587155762 JK Annotated Anodyne Fc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)nc1Br ZINC000587155828 JK Annotated Anodyne COc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587155834 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)nn1-c1ccccc1F ZINC000587155875 JK Annotated Anodyne CCCc1nc(-c2nc3c(F)c(Nc4ccccc4)c(C(=O)OC)cc3[nH]2)nn1-c1ccccc1F ZINC000587155982 JK Annotated Anodyne Fc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)nc1Br ZINC000587156127 JK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587156159 JK Annotated Anodyne Fc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)nc1Br ZINC000587156210 JK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587156317 JK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587156318 JK Annotated Anodyne CCCc1nc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156323 JK Annotated Anodyne CCCc1nc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156355 JK Annotated Anodyne CCCc1nc(-c2nc3c(Br)ccc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156362 JK Annotated Anodyne CCCc1nc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156367 JK Annotated Anodyne C[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156374 JK Annotated Anodyne C[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156375 JK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156377 JK Annotated Anodyne COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156423 JK Annotated Anodyne CCCc1nc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)nn1-c1ccccc1F ZINC000587156425 JK Annotated Anodyne CCCc1nc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156496 JK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587156570 JK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587156571 JK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587156588 JK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587156589 JK Annotated Anodyne C[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156647 JK Annotated Anodyne C[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156648 JK Annotated Anodyne CCCc1nc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156678 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(OC)n(-c6ccccc6F)n5)[nH]c4c3)o2)cc1 ZINC000587156742 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(OC)n(-c5ccccc5F)n4)[nH]c3c2)cc1 ZINC000587156805 JK Annotated Anodyne CCCc1nc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)nn1-c1ccccc1F ZINC000587156828 JK Annotated Anodyne CCCc1nc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156839 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3nc(CCC)n(-c4ccccc4F)n3)nc2cc1Br ZINC000587156849 JK Annotated Anodyne CCCc1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156856 JK Annotated Anodyne COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156879 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1Br ZINC000587156880 JK Annotated Anodyne CCCc1nc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)nn1-c1ccccc1F ZINC000587156882 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Cl)c(Cl)cnc4[nH]3)o2)c1 ZINC000587156902 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)cc1N ZINC000587156906 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c5cccnc5c5ncccc5c4[nH]3)o2)c1 ZINC000587156915 JK Annotated Bother Cc1c(Br)ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156919 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)c(F)c(F)c4[nH]3)o2)c1 ZINC000587156921 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c5ccccc5c5ccccc5c4[nH]3)o2)c1 ZINC000587156925 JK Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Br)cc4[nH]3)o2)c1 ZINC000587156945 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ncc(Br)cc5F)[nH]c4c3)o2)cc1 ZINC000587156966 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(OCc5ccccc5)c4[nH]3)o2)c1 ZINC000587156971 JK Annotated Anodyne COc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587157085 JK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587157093 JK Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587157124 JK Annotated Mild O=C(c1ccccc1)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157142 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)cc(F)c4[nH]3)o2)c1 ZINC000587157149 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3nc(CCC)n(-c4ccccc4F)n3)nc2cc1Br ZINC000587157157 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1Br ZINC000587157176 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587157179 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)nc(Cl)c4[nH]3)o2)c1 ZINC000587157184 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(C(F)(F)F)c4[nH]3)o2)c1 ZINC000587157198 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)o2)c1 ZINC000587157220 JK Annotated Anodyne CCCc1nc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587157249 JK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587157251 JK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)nn1-c1ccccc1F ZINC000587157254 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)c(Cl)nc4[nH]3)o2)c1 ZINC000587157268 JK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587157297 JK Annotated Anodyne CCCCCOc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587157298 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(F)c(Br)c4[nH]3)o2)c1 ZINC000587157384 JK Annotated Anodyne Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587157394 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)c(Cl)cc4[nH]3)o2)c1 ZINC000587157403 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)c(F)cc4[nH]3)o2)c1 ZINC000587157406 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)o2)c1 ZINC000587157436 JK Annotated Anodyne N#Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1C(F)(F)F ZINC000587157463 JK Annotated Mild Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(OC(F)(F)F)c4[nH]3)o2)c1 ZINC000587157480 JK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587157516 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(I)cc3[nH]2)c(Cl)c1 ZINC000587157526 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(I)cc3[nH]2)c(Cl)c1 ZINC000587157529 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(Br)c4[nH]3)o2)c1 ZINC000587157546 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)c(Br)cnc3[nH]2)c(Cl)c1 ZINC000587157571 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587157572 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)c(Br)cnc3[nH]2)c(Cl)c1 ZINC000587157573 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587157628 JK Annotated Reactive Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587157631 JK Annotated Reactive O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c21 ZINC000587157659 JK Annotated Clean Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)c1 ZINC000587157673 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)c1 ZINC000587157675 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587157688 JK Annotated Mild Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1 ZINC000587157717 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1 ZINC000587157720 JK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587157734 JK Annotated Anodyne CC1=C(c2ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587157736 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587157748 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587157760 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587157762 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587157764 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587157766 JK Annotated Anodyne Cc1nc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2cc1Br ZINC000587157768 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(C(F)(F)F)cc4[nH]3)o2)c1 ZINC000587157899 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Cl)cnc(Cl)c4[nH]3)o2)c1 ZINC000587157935 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(OC(F)(F)F)cc4[nH]3)o2)c1 ZINC000587157943 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Sc5ccccc5)cc4[nH]3)o2)c1 ZINC000587157976 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)o2)c1 ZINC000587157990 JK Annotated Anodyne Cc1c(Br)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1C ZINC000587158002 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587158036 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587158049 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Cl)c1 ZINC000587158052 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Cl)c1 ZINC000587158054 JK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c1 ZINC000587158076 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587158090 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(Br)cc4[nH]3)cn2)c(Br)c1 ZINC000587158121 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587158128 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158156 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158159 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587158169 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587158170 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587158172 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1 ZINC000587158199 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1 ZINC000587158200 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587158207 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587158208 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587158209 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(OCc5ccccc5)cc4[nH]3)o2)c1 ZINC000587158232 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Br)c(F)c4[nH]3)o2)c1 ZINC000587158236 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587158240 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587158277 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Oc5ccccc5)cc4[nH]3)o2)c1 ZINC000587158291 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)o2)c1 ZINC000587158354 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)cc1 ZINC000587158371 JK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)cc(Br)c4[nH]3)o2)c1 ZINC000587158395 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)c1 ZINC000587158397 JK Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)cc(Cl)c4[nH]3)o2)c1 ZINC000587158400 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587158430 JK Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000587158442 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587158443 JK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(SC(F)(F)F)cc4[nH]3)o2)c1 ZINC000587158458 JK Annotated Anodyne Cc1cc(Br)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587158502 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587158504 JK Annotated Anodyne Cc1ccc2c(ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c32)n1 ZINC000587158542 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587158547 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587158591 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587158602 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587158641 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587158647 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(I)c3[nH]2)c(Cl)c1 ZINC000587158654 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(I)c3[nH]2)c(Cl)c1 ZINC000587158655 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158707 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158708 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(Cl)c1 ZINC000587158713 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(Cl)c1 ZINC000587158714 JK Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587158727 JK Annotated Reactive CC(C)CCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587158774 JK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587158777 JK Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587158845 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587158863 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587158910 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c(F)c1Nc1ccccc1 ZINC000587158955 JK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587158988 JK Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587159015 JK Annotated Mild Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587159027 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587159050 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587159065 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587159066 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587159074 JK Annotated Mild Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587159075 JK Annotated Mild Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587159083 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Cl)c1 ZINC000587159089 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Cl)c1 ZINC000587159092 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(I)cnc3[nH]2)c(Cl)c1 ZINC000587159094 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(I)cnc3[nH]2)c(Cl)c1 ZINC000587159096 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1C ZINC000587159115 JK Annotated Anodyne Cc1c(Br)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1C ZINC000587159122 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587159130 JK Annotated Anodyne C[C@@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159131 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587159132 JK Annotated Anodyne C[C@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159133 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159134 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159135 JK Annotated Bother CCCCCCCCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587159151 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587159152 JK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587159154 JK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587159156 JK Annotated Mild CCCCCCCCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587159170 JK Annotated Mild O=C(O)c1cc(Br)cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159208 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587159273 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c1 ZINC000587159298 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 ZINC000587159299 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587159301 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587159316 JK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587159328 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587159359 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587159372 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc-2[nH]1 ZINC000587159377 JK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc-2[nH]1 ZINC000587159378 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(F)cnc(Br)c3[nH]2)c(Cl)c1 ZINC000587159407 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(F)cnc(Br)c3[nH]2)c(Cl)c1 ZINC000587159408 JK Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587159421 JK Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587159422 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(Cl)c1 ZINC000587159429 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(Cl)c1 ZINC000587159430 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(Cl)c1 ZINC000587159437 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(Cl)c1 ZINC000587159438 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587159448 JK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587159449 JK Annotated Mild Fc1ccc(Oc2ccc(-c3nc4cncc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587159460 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(Cl)c1 ZINC000587159473 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(Cl)c1 ZINC000587159475 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587159482 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587159553 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159554 JK Annotated Bother CCCOc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587159561 JK Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587159588 JK Annotated Bother Fc1ccc(Oc2ccc(-c3nc4cccc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587159626 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c21 ZINC000587159641 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c21 ZINC000587159642 JK Annotated Clean Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587159647 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587159674 JK Annotated Reactive Nc1ccc(Oc2ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1 ZINC000587159681 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1 ZINC000587159682 JK Annotated Clean Fc1ccc(Oc2ccc(-c3nc4ccc(Br)nc4[nH]3)cn2)c(Br)c1 ZINC000587159696 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587159700 JK Annotated Mild N#Cc1cc(Br)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587159701 JK Annotated Mild Fc1ccc(Oc2ccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587159702 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587159705 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159724 JK Annotated Bother CCCCCOc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587159733 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587159743 JK Annotated Anodyne CCCCCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587159765 JK Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587159791 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(Cl)c3[nH]2)c(Cl)c1 ZINC000587159816 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(Cl)c3[nH]2)c(Cl)c1 ZINC000587159817 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Br)cnc4[nH]3)cn2)c(Br)c1 ZINC000587159824 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587159828 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(Cl)c1 ZINC000587159852 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(Cl)c1 ZINC000587159853 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587159854 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587159855 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587159856 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1C ZINC000587159864 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1 ZINC000587159874 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1 ZINC000587159875 JK Annotated Bother Cc1c(Br)ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587159884 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(Cl)c1 ZINC000587159889 JK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(Cl)c1 ZINC000587159890 JK Annotated Bother CC(C)Oc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159897 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159898 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)cc1 ZINC000587159916 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587159928 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587159929 JK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587159933 JK Annotated Anodyne CCCOc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159950 JK Annotated Anodyne CCCOc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159951 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1N ZINC000587159954 JK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1N ZINC000587159955 JK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1 ZINC000587159956 JK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1 ZINC000587159957 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159959 JK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159960 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587160022 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587160078 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587160104 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587160105 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587160112 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587160132 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587160174 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587160186 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587160213 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587160229 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587160231 JK Annotated Anodyne CCCCCOc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587160321 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2Cl)c1 ZINC000587160322 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587160340 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2Cl)c1 ZINC000587160346 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587160416 JK Annotated Mild COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587160440 JK Annotated Mild O=[N+]([O-])c1cc(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587160446 JK Annotated Reactive CCCCOc1cc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587160450 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587160470 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587160480 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2Cl)c1 ZINC000587160490 JK Annotated Reactive CC(C)Oc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587160494 JK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587160667 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccnc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587160681 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587160690 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cn2)c(Br)c1 ZINC000587160694 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587160698 JK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587160703 JK Annotated Reactive Fc1cccc([C@@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587160705 JK Annotated Reactive Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587160707 JK Annotated Reactive Fc1cccc([C@H]2C[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587160709 JK Annotated Reactive COc1cccc(-c2cc(F)cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587160720 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc(-c4cccc(OC)c4)c3)nc2c1 ZINC000587160775 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cn2)c(Br)c1 ZINC000587160779 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2Cl)c1 ZINC000587160803 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587160824 JK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587160841 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cn2)c(Br)c1 ZINC000587160853 JK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587160857 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1OC ZINC000587160873 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cn2)c(Br)c1 ZINC000587160876 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2Cl)c1 ZINC000587160896 JK Annotated Anodyne CCCOc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587160952 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cn2)c(Br)c1 ZINC000587160987 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cn2)c(Br)c1 ZINC000587161010 JK Annotated Anodyne N#Cc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1C(F)(F)F ZINC000587161014 JK Annotated Mild COC(=O)c1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587161017 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)cc(Br)c5)[nH]c4c3)o2)cc1 ZINC000587161034 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cn2)c(Br)c1 ZINC000587161040 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)cn2)c(Br)c1 ZINC000587161064 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587161081 JK Annotated Anodyne CCCCOc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587161153 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br ZINC000587161172 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br ZINC000587161173 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br ZINC000587161174 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br ZINC000587161175 JK Annotated Mild CC1=C(c2ccc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c3c2)NNC(=O)C1 ZINC000587161181 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c3c2)cc1 ZINC000587161228 JK Annotated Clean Fc1ccc(Oc2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cn2)c(Br)c1 ZINC000587161235 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 ZINC000587161253 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 ZINC000587161254 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 ZINC000587161256 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 ZINC000587161258 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cn2)c(Br)c1 ZINC000587161262 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587161274 JK Annotated Mild Fc1cccc(Cn2nnc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2Cl)c1 ZINC000587161296 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cn2)c(Br)c1 ZINC000587161299 JK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587161312 JK Annotated Reactive Fc1cc(Br)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587161330 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587161349 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cn2)c(Br)c1 ZINC000587161369 JK Annotated Bother Fc1cccc(Cn2nnc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2Cl)c1 ZINC000587161425 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cn2)c(Br)c1 ZINC000587161477 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc(-c4cccc(OC)c4)c3)nc2c1 ZINC000587161491 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cn2)c(Br)c1 ZINC000587161498 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c3c2)cc1N ZINC000587161508 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587161512 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cn2)c(Br)c1 ZINC000587161520 JK Annotated Bother Fc1ccc(Oc2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587161531 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cn2)c(Br)c1 ZINC000587161532 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Cl ZINC000587161534 JK Annotated Bother Fc1ccc(Oc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cn2)c(Br)c1 ZINC000587161535 JK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587161537 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587161538 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587161541 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587161549 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)cn2)c(Br)c1 ZINC000587161557 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cn2)c(Br)c1 ZINC000587161561 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587161570 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587161577 JK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 ZINC000587161595 JK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587161639 JK Annotated Anodyne CC(C)COc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587161707 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2Cl)c1 ZINC000587161775 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587161898 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2Cl)c1 ZINC000587161911 JK Annotated Mild CC(C)Oc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587161986 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587162164 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587162169 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2Cl)c1 ZINC000587162182 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587162249 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162266 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162269 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162270 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162272 JK Annotated Anodyne O=C(CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)Nc1cccc(F)c1 ZINC000587162273 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587162398 JK Annotated Anodyne COC(=O)c1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587162478 JK Annotated Anodyne COC(=O)c1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587162480 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2cccs2)cc1 ZINC000587162482 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2cccs2)cc1 ZINC000587162483 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587162515 JK Annotated Mild Fc1ccc(/C=C(\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587162516 JK Annotated Mild Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2Cl)c1 ZINC000587162538 JK Annotated Anodyne O=C(CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)Nc1cccc(F)c1 ZINC000587162780 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587162804 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587162809 JK Annotated Anodyne O=C(CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(F)cc1 ZINC000587162855 JK Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587162921 JK Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587162922 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587162949 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587162950 JK Annotated Anodyne CC(C)COc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587162955 JK Annotated Anodyne CC(C)COc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587162956 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c(F)c1Nc1ccccc1 ZINC000587162960 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587162962 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587163004 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587163009 JK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2Cl)c1 ZINC000587163011 JK Annotated Anodyne O=C(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587163131 JK Annotated Reactive CCCCCOc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587163190 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587163269 JK Annotated Mild Fc1ccc(/C=C(/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587163432 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587163434 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587163445 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587163446 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587163447 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587163489 JK Annotated Anodyne CC(C)CCOc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587163530 JK Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587163759 JK Annotated Reactive CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587163761 JK Annotated Reactive CC(C)CCOc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587163783 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587163791 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163800 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163801 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C(=C\c5ccc(F)cc5)c5cccs5)[nH]c4c3)o2)cc1 ZINC000587163889 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C(=C/c5ccc(F)cc5)c5cccs5)[nH]c4c3)o2)cc1 ZINC000587163890 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3c(I)cnc(Cl)c3[nH]2)c2cccs2)cc1 ZINC000587163893 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3c(I)cnc(Cl)c3[nH]2)c2cccs2)cc1 ZINC000587163894 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br ZINC000587163987 JK Annotated Mild O=C(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1cccc(F)c1 ZINC000587163991 JK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 ZINC000587164036 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587164118 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 ZINC000587164150 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587164157 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 ZINC000587164162 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587164184 JK Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(F)cc1 ZINC000587164219 JK Annotated Anodyne CCCCOc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164274 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 ZINC000587164277 JK Annotated Anodyne CCCCOc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164279 JK Annotated Anodyne CC(C)Oc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164281 JK Annotated Anodyne CC(C)Oc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164282 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3c(Br)ccc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164286 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3c(Br)ccc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164287 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164294 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164295 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000587164315 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587164319 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587164320 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587164321 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587164326 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587164327 JK Annotated Mild Fc1ccc(/C=C(\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164449 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164450 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 ZINC000587164454 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 ZINC000587164455 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164473 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164474 JK Annotated Anodyne O=C1CC=C(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164475 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(Br)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164477 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(Br)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164478 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3c(Br)cnc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164479 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3c(Br)cnc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164480 JK Annotated Anodyne O=C1CC=C(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164521 JK Annotated Mild Fc1ccc(-c2ccsc2-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587164625 JK Annotated Reactive CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587164644 JK Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587164646 JK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587164690 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c21 ZINC000587164711 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c21 ZINC000587164714 JK Annotated Clean CC(C)CCOc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587164794 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587164802 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Cl ZINC000587164804 JK Annotated Bother Fc1ccc(-c2cnn(Cc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587164808 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587164809 JK Annotated Mild Fc1ccc(-c2cnn(Cc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cc1 ZINC000587164825 JK Annotated Anodyne Cc1cc(Br)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587164842 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587164845 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587164848 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587164849 JK Annotated Anodyne Cc1c(Br)ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587164858 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587164859 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1)C(F)(F)F ZINC000587164863 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1)C(F)(F)F ZINC000587164864 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000587164866 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587164874 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(Br)c3[nH]2)cc1 ZINC000587164891 JK Annotated Anodyne N#Cc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1C(F)(F)F ZINC000587164896 JK Annotated Mild CCCCCOc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164900 JK Annotated Anodyne CCCCCOc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164902 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587164904 JK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587164909 JK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2cccs2)cc1 ZINC000587164910 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 ZINC000587164912 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 ZINC000587164913 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587164926 JK Annotated Anodyne CCCOc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164932 JK Annotated Anodyne CCCOc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164934 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587164956 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587164960 JK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587164972 JK Annotated Reactive Cc1c(Br)cnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 ZINC000587164973 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587164986 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587165006 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587165012 JK Annotated Anodyne Cc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165034 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5cc(-c6ccc(F)cc6)cn5)[nH]c4c3)o2)cc1 ZINC000587165042 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587165221 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000587165264 JK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000587165274 JK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Br)c(Br)cc4[nH]3)c2)cc1 ZINC000587165276 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587165292 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587165297 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587165313 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000587165317 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587165331 JK Annotated Anodyne Oc1c(Br)ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165338 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587165341 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587165342 JK Annotated Anodyne Cc1c(Br)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1C ZINC000587165343 JK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000587165347 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587165361 JK Annotated Anodyne CCCCCOc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587165365 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587165371 JK Annotated Anodyne COC(=O)c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587165379 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587165386 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587165397 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc(C)c3[nH]2)c1C ZINC000587165409 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C ZINC000587165417 JK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587165418 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C ZINC000587165420 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1C ZINC000587165422 JK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1C ZINC000587165425 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587165432 JK Annotated Anodyne CCOC(=O)c1ccc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2c1 ZINC000587165435 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587165436 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165449 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587165451 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1C ZINC000587165453 JK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587165457 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587165461 JK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000587165464 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587165487 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587165489 JK Annotated Anodyne Cc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165490 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587165498 JK Annotated Anodyne Cc1nc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2cc1Br ZINC000587165502 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)nc3[nH]2)c1C ZINC000587165521 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc(F)c3[nH]2)c1C ZINC000587165524 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587165530 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1C ZINC000587165531 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165549 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587165564 JK Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(F)cnc(Br)c3[nH]2)c1C ZINC000587165581 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000587165595 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1C ZINC000587165605 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(Br)c3[nH]2)c1C ZINC000587165608 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C ZINC000587165622 JK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1C ZINC000587165623 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C ZINC000587165625 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1C ZINC000587165626 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)cc(Br)c3[nH]2)c1C ZINC000587165635 JK Annotated Anodyne Cc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165637 JK Annotated Anodyne Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165638 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)c(Br)cnc3[nH]2)c1C ZINC000587165640 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C ZINC000587165641 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587165647 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)c(C)c3[nH]2)c1C ZINC000587165648 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc6nc7ccccc7nc6cc5[nH]4)csc3n2)cc1 ZINC000587165653 JK Annotated Bother CCCCOc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587165658 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1C ZINC000587165660 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)cc(Br)c3[nH]2)c1C ZINC000587165663 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)c(F)cc3[nH]2)c1C ZINC000587165667 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 ZINC000587165676 JK Annotated Mild CCOC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165680 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(Sc6ccccc6)cc5[nH]4)csc3n2)cc1 ZINC000587165687 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587165688 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(F)c(Br)c3[nH]2)c1C ZINC000587165689 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(OCc6ccccc6)cc5[nH]4)csc3n2)cc1 ZINC000587165699 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1C ZINC000587165705 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165708 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)csc3n2)cc1 ZINC000587165709 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)c(F)c3[nH]2)c1C ZINC000587165726 JK Annotated Anodyne Cc1c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165727 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165739 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c21 ZINC000587165750 JK Annotated Clean Nc1ccc(Oc2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)cc1 ZINC000587165761 JK Annotated Clean Fc1ccc(-c2cn3c(Cc4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)csc3n2)cc1 ZINC000587165763 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5[nH]c(Cl)nc(C(F)(F)F)c-5n4)csc3n2)cc1 ZINC000587165772 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 ZINC000587165773 JK Annotated Anodyne CCCOc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587165776 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)cc1 ZINC000587165779 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587165804 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1C ZINC000587165805 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1C ZINC000587165818 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1C ZINC000587165820 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1C ZINC000587165825 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165827 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1C ZINC000587165832 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C#N)cc(Br)c3[nH]2)c1C ZINC000587165834 JK Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)cc3[nH]2)c1C ZINC000587165837 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587165839 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1C ZINC000587165846 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587165850 JK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1C ZINC000587165851 JK Annotated Clean Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587165854 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc2c1 ZINC000587165858 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165875 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587165927 JK Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1C ZINC000587165944 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587165946 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c(Cl)c(Br)cnc5[nH]4)csc3n2)cc1 ZINC000587165965 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)c(F)c(F)c5[nH]4)csc3n2)cc1 ZINC000587165974 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587165980 JK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166001 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)cc1 ZINC000587166006 JK Annotated Clean CCOC(=O)Cc1ccc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2c1 ZINC000587166014 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1C ZINC000587166015 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1C ZINC000587166033 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cccc(I)c5[nH]4)csc3n2)cc1 ZINC000587166040 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587166060 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C ZINC000587166068 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1C ZINC000587166070 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C#N)cc(Cl)c3[nH]2)c1C ZINC000587166074 JK Annotated Mild Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587166079 JK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Br)ccnc3[nH]2)c1C ZINC000587166081 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)cc1N ZINC000587166089 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)csc3n2)cc1 ZINC000587166092 JK Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)c(Br)cc3[nH]2)c1C ZINC000587166094 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1C ZINC000587166105 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6ccc(F)cc6)n(C)c5C)[nH]c4c3)o2)cc1 ZINC000587166109 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)OCCCO4)c1C ZINC000587166138 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)c(Cl)cc3[nH]2)c1C ZINC000587166140 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1C ZINC000587166148 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc4nc(C)ccc4c3[nH]2)c1C ZINC000587166153 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c6cccnc6c6ncccc6c5[nH]4)csc3n2)cc1 ZINC000587166161 JK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(Br)c3[nH]2)c1C ZINC000587166205 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C ZINC000587166212 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1Br ZINC000587166219 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C ZINC000587166222 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587166238 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)c(O)c3[nH]2)c1C ZINC000587166245 JK Annotated Anodyne Cc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166255 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C ZINC000587166262 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1C ZINC000587166281 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000587166292 JK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)c(C)nc3[nH]2)c1C ZINC000587166294 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)ncc3[nH]2)c1C ZINC000587166300 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 ZINC000587166312 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166325 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587166331 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)csc3n2)cc1 ZINC000587166345 JK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587166350 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc(Br)c3[nH]2)c1C ZINC000587166354 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)csc3n2)cc1 ZINC000587166370 JK Annotated Reactive Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)cc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166379 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)csc3n2)cc1 ZINC000587166389 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C(F)(F)F)c3[nH]2)c1C ZINC000587166397 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1C ZINC000587166401 JK Annotated Bother CCCCCOc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1Br ZINC000587166411 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(I)cc5[nH]4)csc3n2)cc1 ZINC000587166432 JK Annotated Anodyne Cc1ccnc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166435 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(OC(F)(F)F)c(Cl)cc5[nH]4)csc3n2)cc1 ZINC000587166436 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1C ZINC000587166443 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cnc3[nH]2)c1C ZINC000587166445 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1C ZINC000587166452 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1C ZINC000587166462 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)csc3n2)cc1 ZINC000587166486 JK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166490 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)csc3n2)cc1 ZINC000587166500 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587166511 JK Annotated Bother Fc1ccc(-c2cn3c(Cc4nc5cccc(OCc6ccccc6)c5[nH]4)csc3n2)cc1 ZINC000587166566 JK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166582 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)cc1N ZINC000587166591 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587166602 JK Annotated Bother CC(C)Oc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587166603 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)cc(Cl)c5[nH]4)csc3n2)cc1 ZINC000587166613 JK Annotated Anodyne Cc1cncc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166626 JK Annotated Anodyne Cc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166635 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)csc3n2)cc1 ZINC000587166644 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)csc3n2)cc1 ZINC000587166646 JK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c(Br)cnc(Cl)c5[nH]4)csc3n2)cc1 ZINC000587166668 JK Annotated Anodyne Cc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2n1 ZINC000587166691 JK Annotated Anodyne Cc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166746 JK Annotated Anodyne Cc1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166748 JK Annotated Anodyne Cc1nccc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166792 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587166805 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587166835 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166840 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587166849 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587166855 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587166967 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587166968 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587167007 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587167020 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1C ZINC000587167021 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587167052 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cnncc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167147 JK Annotated Anodyne O=C(/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167182 JK Annotated Reactive O=C(/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167183 JK Annotated Reactive O=C(N[C@@H](Cc1nc2cccc(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167194 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587167218 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587167237 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587167238 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587167270 JK Annotated Clean O=C(N[C@@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167323 JK Annotated Anodyne Nc1ccnc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587167342 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cncnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167345 JK Annotated Anodyne Nc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cn1 ZINC000587167387 JK Annotated Anodyne Cc1cnc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587167396 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167397 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587167411 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587167416 JK Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587167421 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167430 JK Annotated Anodyne Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167443 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587167503 JK Annotated Anodyne O=C(/C=C/c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167508 JK Annotated Anodyne O=C(/C=C\c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167509 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2ncc[nH]c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167530 JK Annotated Anodyne Nc1nccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587167570 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167593 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c12 ZINC000587167613 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587167615 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587167640 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c12 ZINC000587167645 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587167654 JK Annotated Reactive CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c12 ZINC000587167656 JK Annotated Anodyne Cc1cc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2cc1[N+](=O)[O-] ZINC000587167657 JK Annotated Bother Cc1c(Br)ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167678 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c12 ZINC000587167698 JK Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1C(F)(F)F ZINC000587167705 JK Annotated Mild CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c12 ZINC000587167727 JK Annotated Anodyne CC(C)COc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587167735 JK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587167738 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c12 ZINC000587167746 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c12 ZINC000587167775 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c12 ZINC000587167781 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c12 ZINC000587167786 JK Annotated Bother Fc1ccc(-n2nnc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2C2CC2)cc1 ZINC000587167792 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2C2CC2)cc1 ZINC000587167816 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cnccc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167839 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167848 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167852 JK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167915 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 ZINC000587168007 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br ZINC000587168023 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br ZINC000587168028 JK Annotated Mild O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587168051 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587168053 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587168062 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587168073 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587168096 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587168167 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587168172 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c12 ZINC000587168181 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2C2CC2)cc1 ZINC000587168183 JK Annotated Mild O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587168191 JK Annotated Bother Cc1c(Cl)ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168197 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2C2CC2)cc1 ZINC000587168230 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c12 ZINC000587168231 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c12 ZINC000587168233 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c12 ZINC000587168239 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c12 ZINC000587168246 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c12 ZINC000587168250 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5c(cc4[nH]3)OCO5)c12 ZINC000587168255 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c12 ZINC000587168291 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c12 ZINC000587168292 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c12 ZINC000587168311 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c12 ZINC000587168352 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c12 ZINC000587168357 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cnc4[nH]3)c12 ZINC000587168358 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4nc(Br)c[nH]c-4n3)c12 ZINC000587168369 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnc5ccccc5c4[nH]3)c12 ZINC000587168393 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c12 ZINC000587168398 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 ZINC000587168400 JK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c12 ZINC000587168402 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c12 ZINC000587168404 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587168450 JK Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587168465 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587168511 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587168562 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587168565 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c32)n1 ZINC000587168594 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c12 ZINC000587168607 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc12 ZINC000587168618 JK Annotated Anodyne COc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1F ZINC000587168620 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2C2CC2)cc1 ZINC000587168642 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c12 ZINC000587168654 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c12 ZINC000587168656 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(C(=O)O)c4[nH]3)c12 ZINC000587168679 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nnn(-c6ccc(F)cc6)c5C5CC5)[nH]c4c3)o2)cc1 ZINC000587168683 JK Annotated Anodyne COc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Cl ZINC000587168689 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cn1 ZINC000587168692 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c12 ZINC000587168696 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587168703 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2C2CC2)cc1 ZINC000587168708 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c12 ZINC000587168712 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c12 ZINC000587168715 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2C2CC2)cc1 ZINC000587168716 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c12 ZINC000587168723 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c12 ZINC000587168738 JK Annotated Mild COC(=O)c1cc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2cc1OC ZINC000587168742 JK Annotated Anodyne O=C(O)c1cc2[nH]c(COc3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587168778 JK Annotated Bother Fc1ccc(-n2nnc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2C2CC2)cc1 ZINC000587168795 JK Annotated Anodyne COC(=O)c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587168847 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5ccccc5cc4[nH]3)c12 ZINC000587168850 JK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587168861 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587168863 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587168867 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2C2CC2)cc1 ZINC000587168869 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc5ncccc5c4[nH]3)c12 ZINC000587168875 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c12 ZINC000587168877 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(Br)c4[nH]3)c12 ZINC000587168881 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c12 ZINC000587168882 JK Annotated Anodyne COc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1OC ZINC000587168884 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c12 ZINC000587168886 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c12 ZINC000587168892 JK Annotated Bother CCCCCOc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587168893 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c12 ZINC000587168898 JK Annotated Mild COC(=O)c1cccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168903 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccnc(Br)c4[nH]3)c12 ZINC000587168904 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c12 ZINC000587168909 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2n1 ZINC000587168910 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c12 ZINC000587168912 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(S)nc(S)nc4[nH]3)c12 ZINC000587168917 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c12 ZINC000587168919 JK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(CCO)cc4[nH]3)c12 ZINC000587168922 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2C2CC2)cc1 ZINC000587168923 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c12 ZINC000587168926 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c12 ZINC000587168928 JK Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc12 ZINC000587168950 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Br)ccnc4[nH]3)c12 ZINC000587168964 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168973 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Br)cc4[nH]3)c12 ZINC000587168978 JK Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587169030 JK Annotated Reactive C[C@H](Oc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587169031 JK Annotated Reactive Cc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Cl ZINC000587169094 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1OC ZINC000587169095 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Br)nc4[nH]3)c12 ZINC000587169099 JK Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587169100 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c12 ZINC000587169102 JK Annotated Anodyne CCCCOc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587169113 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587169117 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587169137 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c12 ZINC000587169188 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c12 ZINC000587169190 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c12 ZINC000587169194 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c12 ZINC000587169208 JK Annotated Anodyne C=CCc1cccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587169209 JK Annotated Mild CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c12 ZINC000587169225 JK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c12 ZINC000587169230 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c12 ZINC000587169235 JK Annotated Bother CSc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587169238 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c12 ZINC000587169243 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)ncc4[nH]3)c12 ZINC000587169249 JK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2C2CC2)cc1 ZINC000587169253 JK Annotated Anodyne CCCOc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587169254 JK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cncc(Br)c4[nH]3)c12 ZINC000587169259 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169414 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169415 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587169603 JK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587169604 JK Annotated Clean O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169766 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169767 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169778 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169779 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1 ZINC000587169800 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169809 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169822 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587169848 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587169849 JK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587169898 JK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587169899 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(F)cc1 ZINC000587169900 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169936 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587169944 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587169947 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170001 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000587170042 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000587170043 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000587170083 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000587170084 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1C ZINC000587170093 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587170273 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170281 JK Annotated Bother C[C@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587170283 JK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587170286 JK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1C ZINC000587170368 JK Annotated Anodyne N#Cc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C(F)(F)F ZINC000587170369 JK Annotated Mild Cc1c(Br)cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1C ZINC000587170370 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170393 JK Annotated Bother O=S(=O)(N[C@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170442 JK Annotated Bother O=S(=O)(N[C@@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170443 JK Annotated Bother CCCCOc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587170490 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br ZINC000587170511 JK Annotated Mild O=c1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170515 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587170553 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170572 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587170594 JK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170821 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170827 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587170832 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(F)cc1 ZINC000587170847 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(F)cc1 ZINC000587170848 JK Annotated Anodyne O=c1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170862 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587170880 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587170881 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587170907 JK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587170971 JK Annotated Reactive C[C@@H](CSc1ccc(F)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587170972 JK Annotated Reactive O=c1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170992 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587171038 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587171046 JK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587171123 JK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587171124 JK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587171127 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587171136 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587171137 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(F)cc1 ZINC000587171164 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(F)cc1 ZINC000587171165 JK Annotated Anodyne O=c1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171216 JK Annotated Anodyne O=c1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171232 JK Annotated Anodyne O=c1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171236 JK Annotated Anodyne O=c1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171262 JK Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c1)OCOC2 ZINC000587171320 JK Annotated Reactive O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171369 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171370 JK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587171427 JK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587171428 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171516 JK Annotated Anodyne O=c1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171593 JK Annotated Mild O=c1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171626 JK Annotated Reactive O=c1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171712 JK Annotated Anodyne O=c1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171727 JK Annotated Anodyne CCCOc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171751 JK Annotated Anodyne O=c1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171784 JK Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c1)OCOC2 ZINC000587171881 JK Annotated Anodyne O=c1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171945 JK Annotated Anodyne C=CCc1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172024 JK Annotated Mild C=CCc1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172025 JK Annotated Mild N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172035 JK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172036 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 ZINC000587172112 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 ZINC000587172113 JK Annotated Anodyne O=c1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172195 JK Annotated Anodyne C[C@@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172267 JK Annotated Anodyne C[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172268 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172294 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172296 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172357 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172358 JK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5ccccc5cc4[nH]2)cn3C2CC2)C1 ZINC000587172530 JK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5ccccc5cc4[nH]2)cn3C2CC2)C1 ZINC000587172540 JK Annotated Anodyne CSc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172582 JK Annotated Anodyne CSc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172583 JK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5c(c4[nH]2)CCCC5)cn3C2CC2)C1 ZINC000587172584 JK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5c(c4[nH]2)CCCC5)cn3C2CC2)C1 ZINC000587172585 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587172663 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587172664 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172736 JK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172737 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172788 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172789 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587172802 JK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2n1 ZINC000587172803 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172970 JK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172971 JK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173187 JK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173188 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c32)n1 ZINC000587173228 JK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587173318 JK Annotated Anodyne CCCCCOc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587173319 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(C)Cc6ccc(F)cc6C(=O)O5)[nH]c4c3)o2)cc1 ZINC000587173350 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(C)Cc6ccc(F)cc6C(=O)O5)[nH]c4c3)o2)cc1 ZINC000587173355 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c32)n1 ZINC000587173407 JK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173445 JK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173446 JK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173453 JK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173454 JK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(Cl)c2c1 ZINC000587173538 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587173549 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587173550 JK Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Cl ZINC000587173649 JK Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Cl ZINC000587173650 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br ZINC000587173719 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br ZINC000587173720 JK Annotated Mild CCCCCOc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br ZINC000587173803 JK Annotated Anodyne Fc1ccc2c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)coc2c1 ZINC000587173822 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Br ZINC000587173863 JK Annotated Mild Fc1ccc2[nH]c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2c1 ZINC000587174298 JK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587174433 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587174435 JK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3coc4cc(F)ccc34)nc1-2 ZINC000587174537 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5[nH]c6ccc(F)cc6c5Cl)[nH]c4c3)o2)cc1 ZINC000587174712 JK Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)O2 ZINC000587174737 JK Annotated Reactive Fc1ccc2c(c1)C[C@@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)O2 ZINC000587174740 JK Annotated Reactive COC(=O)c1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587174754 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br ZINC000587174790 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 ZINC000587174854 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br ZINC000587175078 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br ZINC000587175392 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587175498 JK Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587175787 JK Annotated Reactive COc1ncc(F)cc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587176149 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Br ZINC000587176247 JK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3cc(F)cnc3OC)nc2cc1Br ZINC000587176436 JK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br ZINC000587176456 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 ZINC000587176528 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc6c(F)cccc6c5N)[nH]c4c3)o2)cc1 ZINC000587176751 JK Annotated Anodyne Fc1cccc2c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)n[nH]c12 ZINC000587176758 JK Annotated Reactive Nc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176804 JK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cncc(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587177062 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br ZINC000587177191 JK Annotated Mild Fc1nc(Cl)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587177388 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)nc(N6CCCC6)c5)[nH]c4c3)o2)cc1 ZINC000587177445 JK Annotated Anodyne Fc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177541 JK Annotated Anodyne Fc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177697 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Br ZINC000587177788 JK Annotated Mild O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587177801 JK Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587177804 JK Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587177814 JK Annotated Unstable CC(C)CCOc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br ZINC000587177821 JK Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587177845 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587177856 JK Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587177876 JK Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587177882 JK Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587177915 JK Annotated Unstable COC(=O)c1cc2nc(-c3cc(Br)cnc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587177934 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587177937 JK Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587177998 JK Annotated Unstable CCCCCOc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587178016 JK Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587178051 JK Annotated Unstable CCCCOc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br ZINC000587178054 JK Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587178058 JK Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587178099 JK Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587178102 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)cnc5F)[nH]c4c3)o2)cc1 ZINC000587178133 JK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587178194 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br ZINC000587178208 JK Annotated Unstable CCCCCCCCOc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587178219 JK Annotated Mild CCCCCOc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br ZINC000587178230 JK Annotated Unstable Cc1c(Cl)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178372 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587178388 JK Annotated Anodyne Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1-n1cccn1 ZINC000587178397 JK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587178405 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(I)c1 ZINC000587178406 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(I)c1 ZINC000587178411 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(I)c1 ZINC000587178413 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178419 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178422 JK Annotated Anodyne Clc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178426 JK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178431 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587178443 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(OC)cc3I)[nH]c2cc1Br ZINC000587178446 JK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178448 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(I)c1 ZINC000587178478 JK Annotated Anodyne Cc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Cl ZINC000587178481 JK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178504 JK Annotated Mild Cc1ccc(C)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178505 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(I)c1 ZINC000587178506 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178515 JK Annotated Anodyne Ic1ccc(I)c(-c2nc3cc4ccccc4cc3[nH]2)c1 ZINC000587178516 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccnc(Br)c3[nH]2)c(I)c1 ZINC000587178518 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cncc(Br)c3[nH]2)c(I)c1 ZINC000587178523 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(Br)nc3[nH]2)c(I)c1 ZINC000587178526 JK Annotated Anodyne Fc1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178566 JK Annotated Anodyne C=CCc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178573 JK Annotated Mild Cc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587178587 JK Annotated Anodyne CSc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178603 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178607 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1C ZINC000587178623 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(I)c1 ZINC000587178635 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178670 JK Annotated Anodyne Cc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1C ZINC000587178695 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(I)c1 ZINC000587178719 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Cl ZINC000587178721 JK Annotated Bother FC(F)(F)c1ccc(-c2nc3c(Br)ccnc3[nH]2)c(I)c1 ZINC000587178733 JK Annotated Anodyne FC1(F)Oc2cc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3cc2O1 ZINC000587178783 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178791 JK Annotated Anodyne Cc1nc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1Br ZINC000587178794 JK Annotated Anodyne COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(I)c1 ZINC000587178795 JK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587178796 JK Annotated Reactive COc1cc(N)c(I)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587178798 JK Annotated Anodyne COc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(I)c1 ZINC000587178805 JK Annotated Anodyne Cc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1C ZINC000587178816 JK Annotated Anodyne Cc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1C ZINC000587178830 JK Annotated Anodyne Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1C(F)(F)F ZINC000587178839 JK Annotated Mild FC(F)(F)c1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587178851 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cccc(Br)c3[nH]2)c(I)c1 ZINC000587178889 JK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c32)n1 ZINC000587178896 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178920 JK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587178938 JK Annotated Mild COc1cc(N)c(I)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587178981 JK Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179040 JK Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(I)c1 ZINC000587179043 JK Annotated Anodyne Fc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1Br ZINC000587179049 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(I)c1 ZINC000587179077 JK Annotated Bother COc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Cl ZINC000587179090 JK Annotated Anodyne CCc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179122 JK Annotated Anodyne Clc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179158 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587179210 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587179226 JK Annotated Anodyne N#Cc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1C(F)(F)F ZINC000587179228 JK Annotated Mild FC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1 ZINC000587179229 JK Annotated Bother FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(I)c1 ZINC000587179235 JK Annotated Anodyne Fc1c(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1F ZINC000587179264 JK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1F ZINC000587179276 JK Annotated Mild FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(I)c1 ZINC000587179308 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(Br)cc3[nH]2)c(I)c1 ZINC000587179336 JK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179420 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Br)ncc3[nH]2)c(I)c1 ZINC000587179432 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179456 JK Annotated Anodyne Fc1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1Cl ZINC000587179464 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(I)c1 ZINC000587179465 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179486 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587179490 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179491 JK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(I)c1 ZINC000587179499 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3c2)cc1N ZINC000587179522 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Br)cnc3[nH]2)c(I)c1 ZINC000587179527 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1C ZINC000587179550 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(I)c1 ZINC000587179573 JK Annotated Anodyne Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1Br ZINC000587179580 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(I)c1 ZINC000587179590 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587179592 JK Annotated Mild FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(I)c1 ZINC000587179606 JK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587179629 JK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587179680 JK Annotated Anodyne COc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1 ZINC000587179833 JK Annotated Reactive COc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(I)c1 ZINC000587179843 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587179887 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587179896 JK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587180073 JK Annotated Anodyne COc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(I)c1 ZINC000587180126 JK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(I)c1 ZINC000587180153 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)c(C)c(Br)cc2[nH]1 ZINC000587180177 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C)c(C)c(Br)cc2[nH]1 ZINC000587180178 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587180184 JK Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587180185 JK Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000587180195 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000587180201 JK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587180431 JK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(I)c1 ZINC000587180529 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000587180588 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000587180589 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000587180612 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000587180613 JK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587180641 JK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587180659 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(C)cc2[nH]1 ZINC000587180661 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(C)cc2[nH]1 ZINC000587180662 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)c(Br)ccc2[nH]1 ZINC000587180695 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C)c(Br)ccc2[nH]1 ZINC000587180696 JK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(I)c1 ZINC000587180739 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587181034 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587181035 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587181065 JK Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587181066 JK Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587181231 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587181233 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587181259 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587181260 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587181503 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587181504 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587181550 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587181551 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587181594 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587181595 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587181626 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587181627 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C)cc2[nH]1 ZINC000587181628 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C)cc2[nH]1 ZINC000587181629 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)cc(Br)cc2[nH]1 ZINC000587181644 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C)cc(Br)cc2[nH]1 ZINC000587181645 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587181648 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587181649 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587181658 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587181659 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587181663 JK Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587181664 JK Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000587181668 JK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000587181669 JK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587181672 JK Annotated Reactive CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587181673 JK Annotated Reactive CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 ZINC000587181690 JK Annotated Clean CC[C@H](C)n1ncc(I)c1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 ZINC000587181691 JK Annotated Clean Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587181726 JK Annotated Reactive Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587181727 JK Annotated Reactive Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587181777 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587181778 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587181805 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587181806 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587181974 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Cl ZINC000587181976 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587181977 JK Annotated Bother Clc1ccc(I)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587181985 JK Annotated Anodyne Clc1ccc(I)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587182030 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182063 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587182067 JK Annotated Anodyne CSc1sc(-c2nc3ccc(C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182180 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587182194 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587182198 JK Annotated Anodyne Fc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1Br ZINC000587182207 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182209 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182214 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182217 JK Annotated Bother CSc1sc(-c2nc3cccc(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182249 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cn1 ZINC000587182252 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182306 JK Annotated Anodyne Clc1ccc(I)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587182322 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587182330 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182344 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182358 JK Annotated Mild Clc1ccc(I)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587182365 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587182404 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587182437 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587182438 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587182439 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587182440 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(I)ccc3Cl)[nH]c2c1C ZINC000587182462 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182505 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182575 JK Annotated Mild Fc1ccc(I)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587182579 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587182600 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(I)ccc3Cl)[nH]c2c1F ZINC000587182635 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(I)ccc4Cl)[nH]c3c2)cc1N ZINC000587182637 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587182653 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587182679 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Cl ZINC000587182690 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182744 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182816 JK Annotated Bother Fc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1Br ZINC000587182846 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587182878 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(I)ccc3Cl)[nH]c21 ZINC000587182923 JK Annotated Clean Fc1ccc(I)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587182927 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 ZINC000587182932 JK Annotated Reactive Fc1ccc(I)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587182941 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587182951 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182957 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1C ZINC000587182958 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587182981 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182987 JK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182988 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587182995 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587183021 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587183022 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Cl ZINC000587183042 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587183072 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587183076 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 ZINC000587183077 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 ZINC000587183081 JK Annotated Reactive Clc1ccc(I)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587183083 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587183086 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587183088 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587183133 JK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587183143 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587183161 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587183223 JK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587183225 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587183258 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587183267 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587183268 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587183301 JK Annotated Mild Fc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1Br ZINC000587183312 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Cl)cc(I)c3)[nH]c21 ZINC000587183315 JK Annotated Clean Fc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1Br ZINC000587183324 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Cl ZINC000587183348 JK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1F ZINC000587183361 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587183363 JK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587183364 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cn1 ZINC000587183384 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587183391 JK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587183395 JK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587183438 JK Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587183439 JK Annotated Bother Clc1ccc(I)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587183573 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587183576 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587183580 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587183615 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1 ZINC000587183651 JK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1 ZINC000587183652 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c2c1C ZINC000587183667 JK Annotated Anodyne Cc1c(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c2c1C ZINC000587183668 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587183675 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587183676 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587183679 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587183680 JK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183701 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183702 JK Annotated Bother Nc1ccc(Oc2ccc3nc(/C=C/c4cccc(I)c4)[nH]c3c2)cc1 ZINC000587183736 JK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C\c4cccc(I)c4)[nH]c3c2)cc1 ZINC000587183737 JK Annotated Clean N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587183830 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587183831 JK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183853 JK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183854 JK Annotated Reactive FC(F)(F)c1c(Br)ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183869 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183870 JK Annotated Anodyne Ic1cccc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587183896 JK Annotated Anodyne Ic1cccc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587183897 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183918 JK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183919 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183922 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183923 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183944 JK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183945 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183956 JK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183957 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183987 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183988 JK Annotated Bother CCCCOc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587184046 JK Annotated Anodyne CC[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184078 JK Annotated Anodyne CC[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184079 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587184081 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587184087 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587184165 JK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587184166 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4cccc(I)c4)[nH]c3c2)cc1 ZINC000587184183 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cccc(I)c4)[nH]c3c2)cc1 ZINC000587184184 JK Annotated Anodyne Ic1cccc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587184201 JK Annotated Anodyne Ic1cccc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587184202 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c2c1F ZINC000587184203 JK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c2c1F ZINC000587184204 JK Annotated Anodyne CC[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184265 JK Annotated Anodyne CC[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184267 JK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587184300 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587184302 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3cccc(I)c3)[nH]c21 ZINC000587184312 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3cccc(I)c3)[nH]c21 ZINC000587184315 JK Annotated Clean Nc1ccc(-c2ccc3nc(/C=C/c4cccc(I)c4)[nH]c3c2)cc1N ZINC000587184326 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C\c4cccc(I)c4)[nH]c3c2)cc1N ZINC000587184329 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Cl ZINC000587184346 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Cl ZINC000587184353 JK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587184355 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587184357 JK Annotated Anodyne Clc1cc(I)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587184386 JK Annotated Anodyne CC[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184539 JK Annotated Anodyne CC[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184540 JK Annotated Anodyne CC[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184613 JK Annotated Anodyne CC[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184615 JK Annotated Anodyne CC[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184642 JK Annotated Anodyne CC[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184643 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184663 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587184692 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587184693 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587184805 JK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587184807 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587184861 JK Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587184863 JK Annotated Bother CC[C@@H](c1nc2cc(Br)c(C)c(C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184887 JK Annotated Anodyne CC[C@H](c1nc2cc(Br)c(C)c(C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184889 JK Annotated Anodyne CC[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184965 JK Annotated Anodyne CC[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184969 JK Annotated Anodyne CC[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184985 JK Annotated Clean CC[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184986 JK Annotated Clean FC(F)(F)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587185147 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587185148 JK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587185161 JK Annotated Reactive N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587185169 JK Annotated Reactive Ic1cccc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587185207 JK Annotated Anodyne Ic1cccc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587185208 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587185223 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587185224 JK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587185230 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587185231 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185407 JK Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185423 JK Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185424 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587185507 JK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587185508 JK Annotated Anodyne CC[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc(I)c(C)n1 ZINC000587185650 JK Annotated Bother CC[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc(I)c(C)n1 ZINC000587185651 JK Annotated Bother FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587185653 JK Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185691 JK Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185692 JK Annotated Anodyne CC[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185748 JK Annotated Reactive CC[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185752 JK Annotated Reactive CCCCCOc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587185782 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587185803 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587185826 JK Annotated Anodyne CC[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186144 JK Annotated Anodyne CC[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186145 JK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587186208 JK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587186210 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186361 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186633 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186693 JK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccccc4[nH]3)c2o1 ZINC000587186763 JK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl ZINC000587186828 JK Annotated Anodyne N#C/C(=C\c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587186965 JK Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587186966 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cccc([C@@H](C)C#N)c3)[nH]c2cc1Br ZINC000587187033 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3cccc([C@H](C)C#N)c3)[nH]c2cc1Br ZINC000587187034 JK Annotated Mild Ic1cnc2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cn12 ZINC000587187106 JK Annotated Anodyne Ic1cnc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cn12 ZINC000587187155 JK Annotated Bother FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587187283 JK Annotated Anodyne C[C@H](C#N)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587187296 JK Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587187299 JK Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587187300 JK Annotated Reactive C[C@@H](C#N)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587187301 JK Annotated Reactive FC(F)(F)Sc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587187612 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1Br ZINC000587187638 JK Annotated Reactive CCCCCCCCOc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1Br ZINC000587187639 JK Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587187804 JK Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587187807 JK Annotated Reactive N#Cc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1O ZINC000587188043 JK Annotated Mild FS(F)(F)(F)(F)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188095 JK Annotated Reactive Ic1cnc2ccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cn12 ZINC000587188222 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl ZINC000587188824 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2cc1Br ZINC000587188839 JK Annotated Reactive CCCCCCCCOc1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2cc1Br ZINC000587188843 JK Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587188901 JK Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587188906 JK Annotated Reactive Cc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1C#N ZINC000587188945 JK Annotated Mild N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587189226 JK Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587189227 JK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587189244 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587189246 JK Annotated Anodyne C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587189250 JK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587189252 JK Annotated Mild CCCOc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189275 JK Annotated Anodyne CCCOc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189278 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587189280 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587189282 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587189283 JK Annotated Bother CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587189284 JK Annotated Bother CCCCCCCCOc1cc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587189316 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587189317 JK Annotated Mild CC(C)Oc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189320 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189321 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189418 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189420 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587189460 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587189464 JK Annotated Anodyne C#CCN(Cc1nc2ccc(Br)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189488 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587189568 JK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587189572 JK Annotated Reactive CCCCCCCCOc1cc2nc(COc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587189632 JK Annotated Mild C#CCN(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189660 JK Annotated Mild C#CCN(Cc1nc2ccnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189691 JK Annotated Mild N#Cc1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587189760 JK Annotated Reactive C#CCN(Cc1nc2cc(OC)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189872 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189923 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587189971 JK Annotated Bother CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587189973 JK Annotated Bother CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587190021 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587190026 JK Annotated Anodyne C#CCN(Cc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190066 JK Annotated Mild C#CCN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190131 JK Annotated Mild C#CCN(Cc1nc2cc(OC)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190132 JK Annotated Mild C#CCN(Cc1nc2cccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190186 JK Annotated Mild C#CCN(Cc1nc2cc(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190193 JK Annotated Mild C#CCN(Cc1nc2cc(OC)c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190209 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587190292 JK Annotated Clean CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587190295 JK Annotated Clean C#CCN(Cc1nc2cncc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190310 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190313 JK Annotated Mild C#CCN(Cc1nc2cc(C#N)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190353 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587190469 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587190483 JK Annotated Anodyne C#CCN(Cc1nc2c(Br)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190492 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190525 JK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190584 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587190588 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587190600 JK Annotated Anodyne C#CCN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190618 JK Annotated Mild C#CCN(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190619 JK Annotated Mild C#CCN(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190625 JK Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587190651 JK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587190653 JK Annotated Mild C#CCN(Cc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190661 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587190686 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587190687 JK Annotated Anodyne C#CCN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190690 JK Annotated Mild C#CCN(Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190802 JK Annotated Mild C#CCN(Cc1nc2cc(Br)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190825 JK Annotated Mild CCCCCCCCOc1cc2[nH]c(C=NOCc3ccccc3)nc2cc1Br ZINC000587190847 JK Annotated Mild C#CCN(Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190880 JK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190930 JK Annotated Mild C#CCN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190937 JK Annotated Mild C#CCN(Cc1nc2ccc(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190973 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191236 JK Annotated Mild C#CCN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191289 JK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2nc(C=NOCc3ccccc3)[nH]c2c1 ZINC000587191316 JK Annotated Reactive C#CCN(Cc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191351 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191376 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191382 JK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587191391 JK Annotated Reactive C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587191398 JK Annotated Reactive C#CCN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191405 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587191585 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587191586 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587191587 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587191588 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587191618 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587191619 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587191624 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587191625 JK Annotated Anodyne C#CCN(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191643 JK Annotated Mild C#CCN(Cc1nc2c(C)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191664 JK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191695 JK Annotated Mild C#CCN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191716 JK Annotated Mild C#CCN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191786 JK Annotated Mild C#CCN(Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191793 JK Annotated Mild CCCCOc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587191876 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587191877 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587191896 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587191898 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587192105 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587192106 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587192108 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587192109 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587192151 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587192152 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587192197 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587192201 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587192271 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587192273 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587192275 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587192277 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587192296 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587192299 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587192325 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587192326 JK Annotated Anodyne N#Cc1cc(O)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587192350 JK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587192688 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587192689 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587192694 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587192695 JK Annotated Anodyne CCCCN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192726 JK Annotated Bother Brc1cc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587192728 JK Annotated Anodyne CCCCN(Cc1nc2ccc(OC)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192732 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192740 JK Annotated Anodyne CCCCN(Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192742 JK Annotated Anodyne CCCCN(Cc1nc2ccc(OC(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192748 JK Annotated Anodyne CCCCN(Cc1nc2ccnc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192778 JK Annotated Anodyne CCCCN(Cc1nc2cnc3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192779 JK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192782 JK Annotated Anodyne CCCCN(Cc1nc2cccc(C(=O)OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192783 JK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192784 JK Annotated Anodyne CCCCN(Cc1nc2ccc3nc(C)ccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192790 JK Annotated Anodyne CCCCN(Cc1nc2cc3ccccc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192792 JK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192799 JK Annotated Anodyne CCCCN(Cc1nc2cc(C)c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192803 JK Annotated Anodyne CCCCN(Cc1nc2cccc(C(N)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192812 JK Annotated Anodyne CCCCN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192814 JK Annotated Anodyne CCCCN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192822 JK Annotated Bother CCCCN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192829 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(N)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192834 JK Annotated Anodyne CCCCN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192839 JK Annotated Bother CCCCN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192844 JK Annotated Anodyne CCCCN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192845 JK Annotated Anodyne CCCCN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192862 JK Annotated Anodyne CCCCN(Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192863 JK Annotated Anodyne CCCCN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192870 JK Annotated Anodyne Brc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587192873 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)OCC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192877 JK Annotated Anodyne CCCOc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587192883 JK Annotated Anodyne CCCCN(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192884 JK Annotated Anodyne CCCCN(Cc1nc2ccc(CCO)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192885 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192890 JK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192894 JK Annotated Anodyne C=CCc1cccc2nc(CN(CCCC)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587192900 JK Annotated Mild CCCCN(Cc1nc2cc(OC)c(OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192904 JK Annotated Anodyne CCCCN(Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192916 JK Annotated Bother CCCCN(Cc1nc2cc(OC)c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192925 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)OC)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192935 JK Annotated Anodyne CCCCOc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587192936 JK Annotated Anodyne CCCCN(Cc1nc2cc(OC)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192938 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192941 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192946 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587192947 JK Annotated Anodyne CCCCN(Cc1nc2cc(OC)cc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192954 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192956 JK Annotated Mild CCCCN(Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192962 JK Annotated Anodyne CCCCN(Cc1nc2cc(C)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192972 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587192974 JK Annotated Anodyne CCCCN(Cc1nc2cc(C)cc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192977 JK Annotated Anodyne CCCCN(Cc1nc2cncc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192980 JK Annotated Anodyne CCCCN(Cc1nc2cc(N)c(N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192984 JK Annotated Anodyne CCCCN(Cc1nc2ccc(F)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192985 JK Annotated Anodyne CCCCN(Cc1nc2ccc(SC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192988 JK Annotated Anodyne CCCCN(Cc1nc2cccc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192994 JK Annotated Anodyne CCCCN(Cc1nc2c(S)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192999 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(C)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193020 JK Annotated Anodyne CCCCN(Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193033 JK Annotated Anodyne CCCCN(Cc1nc2cc(C)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193036 JK Annotated Anodyne CCCCN(Cc1nc2c(C(=O)OC)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193047 JK Annotated Anodyne CC(C)Oc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587193055 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587193056 JK Annotated Anodyne C#CCN(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193064 JK Annotated Mild CC(C)CCOc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587193080 JK Annotated Anodyne CN(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193086 JK Annotated Bother CCCCN(Cc1nc2ccc3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193092 JK Annotated Anodyne CCCCN(Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193099 JK Annotated Anodyne CCCCN(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193102 JK Annotated Bother CC(C)COc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587193104 JK Annotated Anodyne CCCCN(Cc1nc2ccc(CO)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193106 JK Annotated Anodyne CN(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193110 JK Annotated Anodyne CCCCN(Cc1nc2cc(OC)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193122 JK Annotated Anodyne CN(CCc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193128 JK Annotated Anodyne CCCCN(Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193133 JK Annotated Anodyne FC(F)(F)c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587193135 JK Annotated Anodyne CN(CCc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193149 JK Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Cc1ccccc1 ZINC000587193154 JK Annotated Anodyne CCCCN(Cc1nc2c(C)nc(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193157 JK Annotated Anodyne C#CCN(Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193158 JK Annotated Mild CCCCN(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193162 JK Annotated Mild CCCCN(Cc1nc2ccc(CC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193169 JK Annotated Anodyne CN(CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193176 JK Annotated Anodyne CN(CCc1nc2ccnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193179 JK Annotated Anodyne C#CCN(Cc1nc2ccc(OC(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193195 JK Annotated Mild CN(CCc1nc2ccc(F)c(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193198 JK Annotated Anodyne O=C(O)CCN(CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Cc1ccccc1 ZINC000587193201 JK Annotated Anodyne CN(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193204 JK Annotated Anodyne CN(CCc1nc2ccc(Br)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193210 JK Annotated Anodyne CCCCN(Cc1nc2c(C)ccc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193227 JK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193230 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193243 JK Annotated Anodyne CCCCN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193245 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193248 JK Annotated Anodyne CCCCN(Cc1nc2cccc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193251 JK Annotated Mild CCCCCOc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587193257 JK Annotated Anodyne CCCCN(Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193260 JK Annotated Anodyne CN(CCc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193266 JK Annotated Anodyne CN(CCc1nc2c(Br)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193268 JK Annotated Anodyne C#CCN(Cc1nc2ccc(SC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193271 JK Annotated Mild CN(CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193273 JK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587193275 JK Annotated Anodyne C#CCN(Cc1nc2cc3ccccc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193280 JK Annotated Mild CCCCN(Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193287 JK Annotated Anodyne CN(CCO)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587193290 JK Annotated Reactive CN(CCc1nc2ccc(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193302 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br ZINC000587193337 JK Annotated Mild CN(CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193356 JK Annotated Anodyne CCCCOc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Br ZINC000587193361 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587193364 JK Annotated Anodyne CCCCN(Cc1nc2cc(C(=O)OC)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193371 JK Annotated Anodyne C#CCN(Cc1nc2ccc(CC(=O)OCC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193372 JK Annotated Mild CCCCN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193375 JK Annotated Bother C#CCN(Cc1nc2ccc3nc(C)ccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193391 JK Annotated Mild Cc1cc(Br)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587193395 JK Annotated Anodyne CN(CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193397 JK Annotated Anodyne CN(CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193400 JK Annotated Anodyne Cc1nc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587193402 JK Annotated Anodyne CN(CCc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193417 JK Annotated Anodyne C#CCN(Cc1nc2ccc(C(=O)OCC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193425 JK Annotated Mild Cc1cc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587193427 JK Annotated Bother CCCCN(Cc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193428 JK Annotated Anodyne CCCCN(Cc1nc2cc(OC)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193433 JK Annotated Anodyne CN(CCc1nc2ccc(C(C)(C)C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193434 JK Annotated Anodyne CCCCN(Cc1nc2ccnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193435 JK Annotated Anodyne CCCCN(Cc1nc2ccc(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193436 JK Annotated Anodyne Cc1cc(Br)cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193544 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587193549 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193596 JK Annotated Anodyne CN(CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193610 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587193623 JK Annotated Anodyne C#CCN(Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193626 JK Annotated Mild CN(CCc1nc2cc(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193636 JK Annotated Anodyne C#CCN(Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193652 JK Annotated Mild CN(CCc1nc2cc(F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193654 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193664 JK Annotated Anodyne C#CCN(Cc1nc2ccc3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193687 JK Annotated Mild CN(CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193697 JK Annotated Anodyne COc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587193720 JK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193724 JK Annotated Anodyne CN(CCc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193726 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587193733 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587193734 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193735 JK Annotated Anodyne CN(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193745 JK Annotated Bother CN(CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193774 JK Annotated Anodyne CN(CCc1nc2cncc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193780 JK Annotated Anodyne CN(CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193784 JK Annotated Anodyne CN(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193804 JK Annotated Anodyne CN(CCc1nc2ccc(Br)c(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193806 JK Annotated Anodyne CN(CCc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193811 JK Annotated Anodyne CN(CCc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193813 JK Annotated Anodyne CN(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193815 JK Annotated Anodyne CN(CCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193828 JK Annotated Anodyne CCCCN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193845 JK Annotated Anodyne CCCCN(Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193847 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Br ZINC000587193848 JK Annotated Anodyne CN(CCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193849 JK Annotated Mild C#CCN(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193856 JK Annotated Mild CN(CCc1nc2cc(C#N)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193864 JK Annotated Mild CCCCN(Cc1nc2cnc(Cl)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193871 JK Annotated Anodyne CN(CCc1nc2c(F)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193885 JK Annotated Anodyne CCCCN(Cc1nc2cccc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193899 JK Annotated Anodyne CN(CCc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193931 JK Annotated Anodyne C#CCN(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193979 JK Annotated Mild CN(CCc1nc2cc(Br)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193981 JK Annotated Anodyne CN(CCc1nc2cc(Br)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193985 JK Annotated Anodyne CN(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193986 JK Annotated Anodyne C#CCN(Cc1nc2cnc3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193990 JK Annotated Mild CN(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193992 JK Annotated Anodyne Cc1c(Br)ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193994 JK Annotated Anodyne C#CCN(Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194008 JK Annotated Mild CN(CCc1nc2cccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194038 JK Annotated Anodyne CN(CCc1nc2ccc(Br)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194047 JK Annotated Anodyne CN(CCc1nc2cc(Br)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194080 JK Annotated Anodyne CCCCN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194084 JK Annotated Anodyne CCCCN(Cc1nc2nc(Cl)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194101 JK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194109 JK Annotated Anodyne CCCCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194119 JK Annotated Anodyne CCCCN(Cc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194164 JK Annotated Anodyne CN(CCc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194168 JK Annotated Anodyne CCCCN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194187 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194241 JK Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587194261 JK Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587194263 JK Annotated Anodyne CCCCN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194285 JK Annotated Anodyne CN(CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194292 JK Annotated Anodyne CN(CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194297 JK Annotated Bother CN(CCc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194299 JK Annotated Anodyne Cc1ccc2c(ccc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587194318 JK Annotated Anodyne CCCCN(Cc1nc2c(Cl)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194327 JK Annotated Anodyne CCCCN(Cc1nc2cncc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194386 JK Annotated Anodyne COc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587194408 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194475 JK Annotated Anodyne CCCCN(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194478 JK Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587194504 JK Annotated Reactive CCCCOc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194575 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194576 JK Annotated Anodyne CN(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194639 JK Annotated Bother CCCCN(Cc1nc2c(Cl)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194654 JK Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(N=Nc5ccc(N(C)C)cc5)cc4)nc3c2)NNC(=O)C1 ZINC000587194685 JK Annotated Clean CC(C)Oc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194697 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194703 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)cc1 ZINC000587194716 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2)cc1 ZINC000587194732 JK Annotated Clean C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587194746 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1Br ZINC000587194748 JK Annotated Mild C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587194749 JK Annotated Reactive CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(Cl)cc4[nH]3)cc2)cc1 ZINC000587194804 JK Annotated Clean CCCCN(Cc1nc2c(C)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194814 JK Annotated Anodyne CCOC(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194822 JK Annotated Anodyne CN(CCc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194841 JK Annotated Anodyne CCCCN(Cc1nc2cc(C#N)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194858 JK Annotated Mild CCCCN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194871 JK Annotated Anodyne COc1cc(OC)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587194881 JK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)nc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194903 JK Annotated Mild Clc1ncc(I)c2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587194971 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)cc1 ZINC000587195016 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587195027 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587195091 JK Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587195143 JK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587195144 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587195185 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587195189 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587195207 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587195211 JK Annotated Bother Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587195231 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587195346 JK Annotated Clean CCCOc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587195373 JK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587195429 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587195455 JK Annotated Bother Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587195525 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587195548 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587195596 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587195630 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587195672 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587195675 JK Annotated Anodyne CCCCOc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587195684 JK Annotated Anodyne CCCCOc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587195685 JK Annotated Anodyne COC(=O)c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587195687 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CN(Cc5ccccc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587195712 JK Annotated Anodyne CCCCCOc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587195720 JK Annotated Anodyne CCCCCOc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587195721 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)cc1 ZINC000587195737 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587195760 JK Annotated Clean CC(C)Oc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587195793 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)cc1 ZINC000587195825 JK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587195836 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587195840 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587195907 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)ccc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587195910 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)ccc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587195912 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587195940 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587195955 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)c(Br)cc2[nH]1)C[C@H]1CCCO1 ZINC000587195976 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)c(Br)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587195977 JK Annotated Anodyne CC(C)COc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196000 JK Annotated Anodyne CC(C)COc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196002 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1 ZINC000587196052 JK Annotated Clean FC(F)(F)Oc1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587196064 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)cc1 ZINC000587196089 JK Annotated Clean C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587196114 JK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587196115 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587196138 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587196169 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587196173 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587196206 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587196217 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587196233 JK Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587196254 JK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587196255 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587196274 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587196275 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000587196293 JK Annotated Reactive C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587196310 JK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587196311 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)cc1 ZINC000587196338 JK Annotated Clean CC(C)COc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587196353 JK Annotated Clean FC(F)(F)c1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587196354 JK Annotated Anodyne CC(C)Oc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196422 JK Annotated Anodyne CC(C)Oc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196426 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587196439 JK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587196449 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587196450 JK Annotated Reactive CCCCOc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196452 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587196469 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196476 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587196508 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(C)ccc4N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587196524 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)cc1 ZINC000587196540 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)cc1 ZINC000587196541 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)cc1 ZINC000587196542 JK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587196547 JK Annotated Clean C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587196548 JK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587196549 JK Annotated Anodyne CCCOc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196605 JK Annotated Anodyne CCCOc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196606 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587196734 JK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587196770 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587196772 JK Annotated Anodyne COC(=O)c1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587196790 JK Annotated Anodyne COC(=O)c1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587196791 JK Annotated Anodyne CC(C)CCOc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196793 JK Annotated Anodyne CC(C)CCOc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587196794 JK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2)cc1 ZINC000587196859 JK Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C[C@H]1CCCO1 ZINC000587196980 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587196981 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587197000 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197001 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197081 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197082 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197135 JK Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197136 JK Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197148 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197149 JK Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587197165 JK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587197166 JK Annotated Anodyne Cc1cncc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587197207 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(N)ncc2[nH]1 ZINC000587197208 JK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197217 JK Annotated Bother CC(C)[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197218 JK Annotated Anodyne CC(C)[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197248 JK Annotated Anodyne CC(C)[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197263 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197264 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197275 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(O)ncnc2[nH]1 ZINC000587197285 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587197292 JK Annotated Bother CCCOc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587197293 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587197300 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(N)ccnc2[nH]1 ZINC000587197311 JK Annotated Anodyne CCCCOc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587197325 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197348 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197349 JK Annotated Anodyne CC(C)[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197509 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587197519 JK Annotated Bother CC(C)[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197535 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197541 JK Annotated Anodyne CC(C)[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197542 JK Annotated Anodyne CC(C)[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197547 JK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197549 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587197555 JK Annotated Anodyne CC(C)[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197560 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587197563 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587197566 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197585 JK Annotated Anodyne Cc1ccnc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587197587 JK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197593 JK Annotated Anodyne CC(C)[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197594 JK Annotated Anodyne CC(C)[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197616 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197631 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197632 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br ZINC000587197672 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br ZINC000587197673 JK Annotated Mild Cc1cnc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587197742 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587197777 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197783 JK Annotated Bother COc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587197785 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587197797 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197825 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197836 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197837 JK Annotated Anodyne Cc1nccc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587197900 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587197925 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197928 JK Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587197932 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587197940 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587197953 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587197982 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587197998 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198004 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587198007 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587198014 JK Annotated Bother CC(C)[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198016 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587198017 JK Annotated Anodyne CC(C)[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198020 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198023 JK Annotated Anodyne COc1nccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198033 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(F)c2[nH]1 ZINC000587198035 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587198038 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccnc(N)c2[nH]1 ZINC000587198041 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587198043 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(C#N)c2[nH]1 ZINC000587198087 JK Annotated Mild CC(C)[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198093 JK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587198104 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587198105 JK Annotated Anodyne CC(C)[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198112 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C[C@H]1CCCO1 ZINC000587198154 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587198155 JK Annotated Anodyne Cc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587198237 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198251 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587198257 JK Annotated Mild CC(C)[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198279 JK Annotated Anodyne CC(C)[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198285 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587198306 JK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587198308 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587198312 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587198313 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587198320 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587198324 JK Annotated Anodyne COc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587198328 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587198343 JK Annotated Anodyne CSc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198360 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587198363 JK Annotated Anodyne COc1cncc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198371 JK Annotated Anodyne CC(C)[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198378 JK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198385 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587198388 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587198393 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587198419 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587198424 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 ZINC000587198429 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587198430 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587198436 JK Annotated Anodyne Cc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587198438 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587198439 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587198441 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587198458 JK Annotated Reactive C=CCc1cccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198461 JK Annotated Mild CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587198581 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587198594 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587198598 JK Annotated Anodyne COc1cccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198601 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587198622 JK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587198625 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587198626 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587198633 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587198640 JK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587198650 JK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587198666 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccnc(O)c2[nH]1 ZINC000587198672 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587198680 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cnnc(O)c2[nH]1 ZINC000587198682 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587198698 JK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198710 JK Annotated Anodyne CC(C)[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C ZINC000587198748 JK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(O)c2[nH]1 ZINC000587198810 JK Annotated Anodyne COc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587198813 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587198824 JK Annotated Anodyne Cc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198831 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587198845 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(F)cc2[nH]1 ZINC000587198849 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(Cl)c2[nH]1 ZINC000587198859 JK Annotated Anodyne CCc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198863 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587198871 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587198872 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587198880 JK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587198884 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587198885 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587199019 JK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199024 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(O)cc2[nH]1 ZINC000587199035 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(F)cnc2[nH]1 ZINC000587199041 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587199049 JK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587199060 JK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587199075 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c3c2)cc1 ZINC000587199080 JK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199081 JK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199082 JK Annotated Anodyne COc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199083 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587199098 JK Annotated Anodyne Cc1cccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199102 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)cc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199205 JK Annotated Anodyne CCC[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199206 JK Annotated Bother CCC[C@@H](c1nc2ccc(OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199207 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199209 JK Annotated Anodyne CCCC[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199211 JK Annotated Anodyne CCCC[C@@H](c1nc2c(C)nccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199213 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199217 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)c(OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199219 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C)cc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199220 JK Annotated Anodyne CCCC[C@@H](c1nc2c(C(=O)OC)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199221 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(F)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199222 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199225 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C)c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199227 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199243 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199245 JK Annotated Anodyne CCC[C@@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199247 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199254 JK Annotated Anodyne CCCC[C@@H](c1nc2ccnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199257 JK Annotated Anodyne CCC[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199258 JK Annotated Anodyne CCC[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199259 JK Annotated Anodyne CCC[C@@H](c1nc2cc3ccccc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199264 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C#N)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199265 JK Annotated Mild CCCC[C@@H](c1nc2cccc(C(N)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199266 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199267 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199272 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587199273 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199275 JK Annotated Anodyne CCCC[C@@H](c1nc2c(N)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199278 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199281 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199282 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199283 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199285 JK Annotated Anodyne CCCC[C@@H](c1nc2cncc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199286 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199287 JK Annotated Anodyne CCC[C@@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199289 JK Annotated Anodyne CCC[C@@H](c1nc2cnc3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199290 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199291 JK Annotated Anodyne CCCC[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199297 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(N)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199299 JK Annotated Anodyne CCC[C@@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199301 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)cc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199304 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cnncc2[nH]1 ZINC000587199305 JK Annotated Anodyne C[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199311 JK Annotated Anodyne C[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199317 JK Annotated Anodyne C[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199319 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587199320 JK Annotated Anodyne COc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2n1 ZINC000587199323 JK Annotated Anodyne CC(C)Oc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199326 JK Annotated Anodyne C[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199327 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199330 JK Annotated Anodyne Cc1nc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587199337 JK Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199347 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199349 JK Annotated Anodyne C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199350 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000587199352 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587199356 JK Annotated Anodyne C[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199359 JK Annotated Bother CCOC(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199363 JK Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199365 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587199369 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587199371 JK Annotated Anodyne Cc1nccc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc12 ZINC000587199374 JK Annotated Anodyne C[C@@H](c1nc2cc(C#N)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199378 JK Annotated Mild COc1nccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199382 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199384 JK Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199388 JK Annotated Anodyne C[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199390 JK Annotated Anodyne C[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199397 JK Annotated Anodyne C[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199398 JK Annotated Anodyne C[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199399 JK Annotated Anodyne CCc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199401 JK Annotated Anodyne CCCC[C@@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199408 JK Annotated Bother CCCC[C@@H](c1nc2ccc(SC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199409 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587199411 JK Annotated Anodyne CCC[C@@H](c1nc2ccnc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199414 JK Annotated Anodyne CCC[C@@H](c1nc2cncc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199419 JK Annotated Anodyne CCC[C@@H](c1nc2c(C)nc(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199422 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199426 JK Annotated Anodyne CCC[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199427 JK Annotated Bother CCCC[C@@H](c1nc2cc(F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199428 JK Annotated Anodyne CCC[C@@H](c1nc2cc(OC)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199431 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587199438 JK Annotated Anodyne CCC[C@@H](c1nc2cc(OC)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199444 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(OC(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199445 JK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199446 JK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199450 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199452 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(SC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199455 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587199459 JK Annotated Anodyne CCCC[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199461 JK Annotated Mild CCC[C@@H](c1nc2cc(OC)c(OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199463 JK Annotated Anodyne CCCC[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199466 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)cc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199471 JK Annotated Anodyne CCC[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199473 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(OC(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199475 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199476 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199477 JK Annotated Mild CCC[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199478 JK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199480 JK Annotated Anodyne CCC[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199483 JK Annotated Anodyne CCC[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199487 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199494 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199499 JK Annotated Bother CCC[C@@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199500 JK Annotated Anodyne Cc1cc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587199513 JK Annotated Bother C[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199520 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000587199521 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cnccc2[nH]1 ZINC000587199528 JK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199534 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199541 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199545 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199546 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587199548 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000587199550 JK Annotated Anodyne C[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199559 JK Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587199562 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199575 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(OC)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199578 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199583 JK Annotated Bother CCC[C@@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199584 JK Annotated Anodyne C=CCc1cccc2nc([C@H](CCCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199586 JK Annotated Mild CCCC[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199588 JK Annotated Bother CCC[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199593 JK Annotated Mild CCCC[C@@H](c1nc2ccc(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199596 JK Annotated Mild Cc1c(F)ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199597 JK Annotated Anodyne C[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199598 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587199605 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199608 JK Annotated Anodyne CCC[C@@H](c1nc2c(C)ccc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199609 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199618 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(C(N)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199621 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199625 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199629 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=N)N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199630 JK Annotated Anodyne CCCC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199631 JK Annotated Bother CCCC[C@@H](c1nc2c(C)ccc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199635 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199636 JK Annotated Anodyne COc1cccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199638 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199640 JK Annotated Anodyne CCC[C@@H](c1nc2cncc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199648 JK Annotated Anodyne CCC[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199649 JK Annotated Bother CCCC[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199650 JK Annotated Anodyne CCC[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199653 JK Annotated Anodyne CCC[C@@H](c1nc2c(S)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199654 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(CCO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199659 JK Annotated Anodyne CCCC[C@@H](c1nc2cc3ccccc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199661 JK Annotated Anodyne C=CCc1cccc2nc([C@H](CCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199666 JK Annotated Mild CCC[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199676 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199677 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199682 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(C(=O)OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199683 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(C(=O)OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199686 JK Annotated Anodyne CCC[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199692 JK Annotated Anodyne CCC[C@@H](c1nc2c(O)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199694 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587199696 JK Annotated Anodyne CCC[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199697 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)OCC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199699 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)OC)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199702 JK Annotated Anodyne CCC[C@@H](c1nc2c(C)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199704 JK Annotated Anodyne COc1cncc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199711 JK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1C ZINC000587199717 JK Annotated Anodyne C[C@@H](c1nc2ccc(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199721 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cncnc2[nH]1 ZINC000587199722 JK Annotated Anodyne C[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199723 JK Annotated Anodyne C[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199724 JK Annotated Bother C[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199725 JK Annotated Anodyne Cc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199727 JK Annotated Anodyne C[C@@H](c1nc2c(Br)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199739 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199748 JK Annotated Anodyne C[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199753 JK Annotated Anodyne C[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199755 JK Annotated Anodyne C[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199763 JK Annotated Anodyne C[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199767 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc12 ZINC000587199771 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(O)c2[nH]1 ZINC000587199773 JK Annotated Anodyne C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199777 JK Annotated Anodyne C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199779 JK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2n1 ZINC000587199781 JK Annotated Anodyne C[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199784 JK Annotated Anodyne C[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199787 JK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1F ZINC000587199797 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(F)c2[nH]1 ZINC000587199798 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199799 JK Annotated Anodyne COc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cn1 ZINC000587199801 JK Annotated Anodyne CCC[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199812 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199816 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199820 JK Annotated Mild CCCC[C@@H](c1nc2cccc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199821 JK Annotated Mild CCCC[C@@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199824 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(C)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199825 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199828 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199831 JK Annotated Anodyne CCC[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199834 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199835 JK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199843 JK Annotated Anodyne CCC[C@@H](c1nc2ccc3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199846 JK Annotated Anodyne CCCC[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199849 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199851 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199852 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199853 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199857 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199861 JK Annotated Anodyne CCCC[C@@H](c1nc2c(C)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199862 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199874 JK Annotated Anodyne CCC[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199876 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199881 JK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199882 JK Annotated Anodyne CCC[C@@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199885 JK Annotated Bother CCC[C@@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199889 JK Annotated Anodyne CCC[C@@H](c1nc2cc(OC)c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199898 JK Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199909 JK Annotated Bother Cc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199910 JK Annotated Anodyne C[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199919 JK Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199922 JK Annotated Bother C[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199927 JK Annotated Anodyne C[C@@H](c1nc2ccc(Br)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199928 JK Annotated Anodyne C[C@@H](c1nc2cccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199933 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587199934 JK Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199935 JK Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199945 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587199946 JK Annotated Mild C[C@@H](c1nc2cncc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199947 JK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199955 JK Annotated Anodyne CCCC[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199959 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199960 JK Annotated Mild CCC[C@@H](c1nc2ccc(C(=N)N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199963 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(N)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199967 JK Annotated Anodyne C[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199971 JK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1C ZINC000587199973 JK Annotated Anodyne CCCC[C@@H](c1nc2cncc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199975 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199982 JK Annotated Anodyne Cc1cncc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199987 JK Annotated Anodyne CCCC[C@@H](c1nc2ccnc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199988 JK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c(C)n1 ZINC000587199989 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199991 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(CCO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199995 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587200005 JK Annotated Anodyne CCCC[C@@H](c1nc2cnc3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200009 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200014 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200018 JK Annotated Anodyne CCC[C@@H](c1nc2c(C(=O)OC)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200021 JK Annotated Anodyne CCC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200022 JK Annotated Bother CCC[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200024 JK Annotated Anodyne C[C@@H](c1nc2nc(Br)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200025 JK Annotated Anodyne CCCC[C@@H](c1nc2c(O)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200029 JK Annotated Anodyne CCC[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200035 JK Annotated Bother CCC[C@@H](c1nc2ccc(Cl)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200036 JK Annotated Anodyne C=CCc1cccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587200041 JK Annotated Mild CCCC[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200042 JK Annotated Anodyne CCC[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200044 JK Annotated Anodyne C[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200054 JK Annotated Anodyne CCCC[C@@H](c1nc2c(O)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200055 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C(=O)OC)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200059 JK Annotated Anodyne CCCC[C@@H](c1nc2ccnc(N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200061 JK Annotated Anodyne CCC[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200063 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200065 JK Annotated Anodyne CCC[C@@H](c1nc2cc(OC)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200066 JK Annotated Anodyne CCC[C@@H](c1nc2cc(C)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200073 JK Annotated Anodyne COc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587200074 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200079 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(CC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200082 JK Annotated Anodyne C[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200083 JK Annotated Bother CCCC[C@@H](c1nc2ccc(C(C)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200085 JK Annotated Anodyne C[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200086 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200089 JK Annotated Anodyne CCCC[C@@H](c1nc2c(C)nc(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200094 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587200096 JK Annotated Anodyne CCC[C@@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200100 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)OC)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200101 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200103 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587200107 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200108 JK Annotated Mild CCCC[C@@H](c1nc2c(N)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200109 JK Annotated Anodyne CCC[C@@H](c1nc2cc(OC)cc(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200112 JK Annotated Anodyne CCC[C@@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200115 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(=O)OC)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200117 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587200118 JK Annotated Anodyne CCCC[C@@H](c1nc2cnnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200128 JK Annotated Anodyne CCC[C@@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200134 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200136 JK Annotated Reactive CCCC[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200141 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200145 JK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200149 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(OC)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200152 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200155 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(CC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200161 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200162 JK Annotated Anodyne CCC[C@@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200165 JK Annotated Anodyne CCC[C@@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200169 JK Annotated Anodyne CCC[C@@H](c1nc2ccc3nc(C)ccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200170 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C#N)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200181 JK Annotated Mild C[C@@H](c1ccccc1)N(Cc1nc2c(N)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200190 JK Annotated Anodyne C[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200242 JK Annotated Mild COc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587200243 JK Annotated Anodyne C[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200249 JK Annotated Mild CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587200251 JK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200252 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(O)cc2[nH]1 ZINC000587200254 JK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587200261 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200263 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cnnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200265 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(N)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200267 JK Annotated Anodyne C[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200276 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587200281 JK Annotated Mild Cc1c(Br)ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200290 JK Annotated Anodyne C[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200294 JK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587200300 JK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200305 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000587200307 JK Annotated Anodyne C[C@@H](c1nc2ccnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200315 JK Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200323 JK Annotated Bother Cc1ccnc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc12 ZINC000587200326 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587200327 JK Annotated Anodyne C[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200330 JK Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200332 JK Annotated Anodyne Cc1cccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587200334 JK Annotated Anodyne C[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200360 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(F)cc2[nH]1 ZINC000587200363 JK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200369 JK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587200370 JK Annotated Anodyne Cc1cnc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587200371 JK Annotated Anodyne C[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200374 JK Annotated Anodyne CC(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587200380 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cnccc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200405 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200429 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200442 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200450 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200478 JK Annotated Anodyne CCCC[C@@H](c1nc2cncc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200480 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200506 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccnc(N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200508 JK Annotated Anodyne Cc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200532 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587200548 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587200580 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cnncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200582 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200593 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(F)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200656 JK Annotated Anodyne CCCC[C@@H](c1nc2c(C)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200676 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(N)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200686 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200689 JK Annotated Mild CCCC[C@@H](c1nc2ccc(Cl)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200699 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c[nH]c(=N)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200730 JK Annotated Anodyne CCCC[C@@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200734 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200753 JK Annotated Mild C[C@@H](c1ccccc1)N(Cc1nc2cccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200764 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ncc[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200771 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200790 JK Annotated Anodyne Cc1cccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587200791 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200793 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)cc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200817 JK Annotated Anodyne CCCC[C@@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200821 JK Annotated Anodyne CCCC[C@@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200825 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200840 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200869 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2cc1Br ZINC000587200879 JK Annotated Mild CC(C)Oc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587200886 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587200937 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200939 JK Annotated Anodyne COC(=O)c1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587200950 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200963 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587200975 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201045 JK Annotated Anodyne Cc1cnc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587201054 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587201065 JK Annotated Anodyne Cc1cncc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587201066 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587201109 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587201157 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587201162 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587201169 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587201191 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201209 JK Annotated Anodyne Cc1nccc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc12 ZINC000587201236 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201237 JK Annotated Anodyne Cc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2n1 ZINC000587201252 JK Annotated Anodyne CCCC[C@@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201294 JK Annotated Anodyne CCCC[C@@H](c1nc2cccc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201311 JK Annotated Anodyne CCCC[C@@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201328 JK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(O)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201337 JK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000587201351 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587201385 JK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201392 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587201440 JK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201463 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587201515 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587201573 JK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587201593 JK Annotated Reactive CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587201859 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587201884 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587201910 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587202081 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587202082 JK Annotated Mild CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587202089 JK Annotated Anodyne CC(C)COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587202200 JK Annotated Anodyne CCCCOc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587202222 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587202237 JK Annotated Anodyne CC(C)CCOc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587202260 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587202280 JK Annotated Reactive CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587202291 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587202293 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587202603 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587202674 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587202706 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C ZINC000587203207 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C ZINC000587203208 JK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587203312 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587203365 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587203641 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587203642 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587203834 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587203837 JK Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587203871 JK Annotated Reactive CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587203873 JK Annotated Reactive CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587203894 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587203902 JK Annotated Anodyne CCCOc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587203916 JK Annotated Anodyne CC(C)Oc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587204381 JK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587204383 JK Annotated Anodyne CCCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587204579 JK Annotated Anodyne CCCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587204581 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587204589 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587204590 JK Annotated Anodyne CCCCCOc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587204607 JK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587204766 JK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587204767 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587205231 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587205232 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)(C)C ZINC000587205345 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)(C)C ZINC000587205346 JK Annotated Anodyne CC(C)COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587205357 JK Annotated Anodyne CC(C)COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587205358 JK Annotated Anodyne CCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587205477 JK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C ZINC000587205503 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C ZINC000587205505 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587205507 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587205508 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)cc1 ZINC000587205513 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)cc1 ZINC000587205514 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(C)(C)C ZINC000587205515 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(C)(C)C ZINC000587205516 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587205581 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587205582 JK Annotated Anodyne CCOC(=O)c1oc2ccc(Cc3c(C)nc4cccc5c4c3-c3ccccc3C5=O)cc2c1C ZINC000587205644 JK Annotated Anodyne CCCCC[C@H](O)Cc1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587205686 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2c1C ZINC000587205729 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587205817 JK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587205818 JK Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21CC)-c1ccccc1C7=O ZINC000587205929 JK Annotated Mild O=C1c2ccccc2-c2cc(C[C@@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587205941 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587205942 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587205943 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587205944 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587205966 JK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000587206112 JK Annotated Anodyne CCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCC)-c1ccccc1C3=O ZINC000587206128 JK Annotated Mild C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]1CC2)-c1ccccc1C6=O ZINC000587206171 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206176 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206183 JK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206200 JK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206203 JK Annotated Clean CCCCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587206220 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587206224 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc2ccc4cccc5ccc(c1CC3)c2c45 ZINC000587206302 JK Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587206350 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587206351 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C[C@@H](O)CCc3ccccc3)nc3cccc1c23 ZINC000587206374 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587206430 JK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@]3(C)c4nc5cccc6c5c(c4C[C@@H]23)-c2ccccc2C6=O)[C@@]2(C)C=CC(=O)C=C12 ZINC000587206431 JK Annotated Mild Cc1nc2cccc3c2c(c1[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587206433 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587206436 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587206439 JK Annotated Anodyne C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5CC4=C3C=C[C@@]21C)-c1ccccc1C7=O ZINC000587206442 JK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587206444 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206453 JK Annotated Mild CCCCCCCCCCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587206478 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206481 JK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)c3nc4cccc5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000587206483 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206488 JK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587206491 JK Annotated Mild O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)c(/C=C/CCc3ccc(O)cc3)nc3cccc1c23 ZINC000587206500 JK Annotated Anodyne CCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587206522 JK Annotated Anodyne CCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587206535 JK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206580 JK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587206681 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)(C)C ZINC000587206682 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587206711 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587206712 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)c(CCCCc3ccc(O)cc3)nc3cccc1c23 ZINC000587206797 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc3cccc1c23 ZINC000587206802 JK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc3cccc1c23 ZINC000587206805 JK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@H]2O ZINC000587206834 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(C)cc1 ZINC000587206835 JK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2O ZINC000587206836 JK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@H]2O ZINC000587206840 JK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(C)cc1 ZINC000587206841 JK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2O ZINC000587206843 JK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207069 JK Annotated Mild O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2ccc(Cl)cc2)nc1CC3 ZINC000587207150 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000587207221 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCc3ccc(O)cc3)c(CCc3ccc(O)cc3)nc3cccc1c23 ZINC000587207302 JK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2O ZINC000587207323 JK Annotated Anodyne CCCC[C@H](CC)CCc1nc2cccc3c2c(c1C[C@H](CC)CCCC)-c1ccccc1C3=O ZINC000587207330 JK Annotated Anodyne CCCC[C@@H](CC)CCc1nc2cccc3c2c(c1C[C@H](CC)CCCC)-c1ccccc1C3=O ZINC000587207332 JK Annotated Anodyne CCCC[C@H](CC)Cc1c(CC[C@H](CC)CCCC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207334 JK Annotated Anodyne CCCC[C@H](CC)CCc1nc2cccc3c2c(c1C[C@@H](CC)CCCC)-c1ccccc1C3=O ZINC000587207336 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)c(-c3c(O)cc(O)cc3O)nc3cccc1c23 ZINC000587207353 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc3ccc4cccc5ccc2c3c45)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207357 JK Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587207378 JK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587207379 JK Annotated Anodyne C[C@]12CCC3=C4Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000587207458 JK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587207516 JK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)nc2cccc3c2c1CC3 ZINC000587207533 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc3cccc1c23 ZINC000587207545 JK Annotated Bother C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000587207573 JK Annotated Anodyne Cc1ccc(-c2nc3cccc4c3c(c2C2C(=O)CC(C)(C)CC2=O)-c2ccccc2C4=O)cc1 ZINC000587207579 JK Annotated Anodyne CCOC(=O)CCc1nc2cccc3c2c(c1CC(=O)c1ccc(Br)cc1)CC3 ZINC000587207586 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207588 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4cnc(Cl)s4)cc3)nc3cccc1c23 ZINC000587207598 JK Annotated Anodyne CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4cccc5c4c(c3[C@H]12)-c1ccccc1C5=O ZINC000587207682 JK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4cccc5c4c(c3[C@@H]12)-c1ccccc1C5=O ZINC000587207685 JK Annotated Clean O=C1c2ccccc2-c2cc(CN3C(=O)c4c(sc5c4CCCC5)N/C3=C/Cl)nc3cccc1c23 ZINC000587207702 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4c(sc5c4CCCC5)N/C3=C\Cl)nc3cccc1c23 ZINC000587207704 JK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc(O)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207713 JK Annotated Mild CCCCCCCCCCCCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207766 JK Annotated Mild COC(=O)c1ccc(COc2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)o1 ZINC000587207841 JK Annotated Anodyne CCCCCCCCCCCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207844 JK Annotated Mild O=C(O)Cc1c(-c2ccc3c(c2)-c2ccccc2C3)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207845 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1[C@@H](O)C[C@@H]2O ZINC000587207878 JK Annotated Anodyne C[C@]12C=CC3=C4Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000587207896 JK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5CC4=C3C=C[C@@]21C)-c1ccccc1C7=O ZINC000587207923 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000587207940 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@]43C)-c3ccccc3C7=O)[C@H]1CCC2=O ZINC000587207941 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000587207942 JK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587207944 JK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000587207945 JK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CCC2=O ZINC000587207947 JK Annotated Anodyne O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)s3)nc3cccc1c23 ZINC000587207951 JK Annotated Reactive COc1ccc(OC)c(Nc2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000587207955 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587208026 JK Annotated Mild CCCC(=O)N(c1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1)C1CC1 ZINC000587208055 JK Annotated Anodyne CCCCCCc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208065 JK Annotated Anodyne CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 ZINC000587208069 JK Annotated Anodyne CCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208090 JK Annotated Mild O=C(CCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000587208099 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CSC4=NCCS4)c3)nc3cccc1c23 ZINC000587208114 JK Annotated Anodyne Oc1nc2ccc(Br)cc2c(-c2ccccc2)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587208129 JK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208138 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc(Br)s2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208164 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208196 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Br)cc4)s3)nc3cccc1c23 ZINC000587208259 JK Annotated Anodyne C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587208267 JK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587208269 JK Annotated Mild Cc1nc(Nc2ccc(Cl)cn2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208273 JK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208354 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4Br)s3)nc3cccc1c23 ZINC000587208357 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1=C(CC3)Oc2ccccc2[C@@H]1C1C(=O)CCCC1=O ZINC000587208480 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1=C(CC3)Oc2ccccc2[C@H]1C1C(=O)CCCC1=O ZINC000587208483 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587208484 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587208485 JK Annotated Anodyne COc1ccc(Cc2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)cc1OC ZINC000587208486 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587208488 JK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587208489 JK Annotated Anodyne Cc1c(O[C@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587208491 JK Annotated Anodyne Cc1c(O[C@@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587208492 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208537 JK Annotated Anodyne O=C(O)Cc1c(-c2sc(Cl)c(Cl)c2Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208539 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(S(=O)(=O)Cl)c(Cl)cc1C3 ZINC000587208561 JK Annotated Unstable Cc1c(O[C@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 ZINC000587208565 JK Annotated Bother Cc1c(O[C@@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 ZINC000587208568 JK Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2ccc(Br)cc2)nc1CC3 ZINC000587208575 JK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2ccccc2Br)nc1CC3 ZINC000587208692 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCc3cnc(Cl)s3)nc3cccc1c23 ZINC000587208751 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3c4c(nc5cccc6c5c4-c4ccccc4C6=O)CC[C@]3(C)[C@H]1CC2 ZINC000587208769 JK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)sc2n1 ZINC000587208771 JK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C ZINC000587208875 JK Annotated Reactive Cc1cc(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587208888 JK Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3cccc4c3c1-c1ccccc1C4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000587208894 JK Annotated Anodyne Cc1cc(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2c3c(c(=O)oc2c1)CCC3 ZINC000587208897 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208935 JK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208936 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)sc(C)c1C ZINC000587208941 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3nc4cccc5c4c(c3C)-c3ccccc3C5=O)c2)cc1 ZINC000587208964 JK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1cccc3c1c2CC3 ZINC000587209050 JK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1cccc3c1c2CC3 ZINC000587209051 JK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1cccc3c1c2CC3 ZINC000587209052 JK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1cccc3c1c2CC3 ZINC000587209053 JK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cc2c3c(cccc3n1)CC2 ZINC000587209059 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209119 JK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209120 JK Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Cl)c1Cl ZINC000587209132 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CCS(=O)(=O)c3ccc(Cl)c(Cl)c3)nc3cccc1c23 ZINC000587209155 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(S(=O)(=O)Cl)ccc3Br)nc3cccc1c23 ZINC000587209166 JK Annotated Unstable CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)c5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587209226 JK Annotated Anodyne Cc1c(O[C@@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCC3 ZINC000587209305 JK Annotated Anodyne Cc1c(O[C@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCC3 ZINC000587209306 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000587209352 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000587209353 JK Annotated Anodyne CCc1c(-c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209364 JK Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc12 ZINC000587209428 JK Annotated Anodyne Cc1c(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCC3 ZINC000587209504 JK Annotated Anodyne Cc1cc(O[C@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2c(C)c(C)c(=O)oc2c1 ZINC000587209514 JK Annotated Anodyne Cc1cc(O[C@@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2c(C)c(C)c(=O)oc2c1 ZINC000587209517 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587209555 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587209556 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587209557 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587209558 JK Annotated Anodyne NS(=O)(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Cl)cc1Cl ZINC000587209636 JK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(Cl)cc1 ZINC000587209657 JK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(Cl)cc1 ZINC000587209658 JK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(Cl)cc1 ZINC000587209659 JK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(Cl)cc1 ZINC000587209660 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3OC[C@@H]3CO3)nc3cccc1c23 ZINC000587209690 JK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3OC[C@H]3CO3)nc3cccc1c23 ZINC000587209691 JK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CSc1nncn1C ZINC000587209695 JK Annotated Anodyne O=C1CCCC2=C1[C@H]([C@H]1C(=O)CCc3c1nc1cccc4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000587209711 JK Annotated Mild O=C1CCCC2=C1[C@@H]([C@H]1C(=O)CCc3c1nc1cccc4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000587209712 JK Annotated Mild O=C1CCCC2=C1[C@@H]([C@@H]1C(=O)CCc3c1nc1cccc4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000587209713 JK Annotated Mild O=C1CCCC2=C1[C@H]([C@@H]1C(=O)CCc3c1nc1cccc4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000587209714 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3)nc3cccc1c23 ZINC000587209720 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(Br)s3)nc3cccc1c23 ZINC000587209728 JK Annotated Anodyne O=C1c2ccccc2-c2cc(CSc3nc4cc(Cl)c5cccnc5c4o3)nc3cccc1c23 ZINC000587209738 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587209743 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587209744 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587209745 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587209746 JK Annotated Anodyne CCOc1ccc(-c2c(-c3cc4c5c(cccc5n3)CC4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587209777 JK Annotated Anodyne COC1=Cc2nc3cccc4c3c(c2[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O)CC4 ZINC000587209799 JK Annotated Anodyne O=C(O)c1ccccc1C(=O)Nc1ccsc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209856 JK Annotated Anodyne Cc1c(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 ZINC000587209857 JK Annotated Bother O=C1c2ccccc2-c2cc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)nc3cccc1c23 ZINC000587209868 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c12 ZINC000587209870 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c12 ZINC000587209871 JK Annotated Anodyne Cc1c(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc2c3c(c(=O)oc12)CCCC3 ZINC000587209872 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c12 ZINC000587209890 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c12 ZINC000587209891 JK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3NS(=O)(=O)c3cccs3)nc3cccc1c23 ZINC000587209898 JK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CSc1ncccn1 ZINC000587209904 JK Annotated Anodyne Cc1c(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587209945 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587209975 JK Annotated Mild C[C@]12C=CC(=O)C=C1[C@@]1(CO1)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587209976 JK Annotated Mild Cc1c(-c2ccc(Cl)c(S(=O)(=O)Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209984 JK Annotated Unstable Cc1ccc(S(=O)(=O)OC[C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000587209992 JK Annotated Mild Cc1ccc(S(=O)(=O)OC[C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000587209993 JK Annotated Mild O=C1c2ccccc2-c2cc(-c3scc(Br)c3Br)nc3cccc1c23 ZINC000587209994 JK Annotated Anodyne Oc1ccc2c(-c3cc4c5c(cccc5n3)CC4)ccc(OCc3ccccc3C(F)(F)F)c2n1 ZINC000587210156 JK Annotated Anodyne COc1ccc(Br)c(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2F)c1 ZINC000587210176 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)nc2cccc3c2c1CC3 ZINC000587210290 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)nc2cccc3c2c1CC3 ZINC000587210291 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)nc2cccc3c2c1CC3 ZINC000587210292 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)nc2cccc3c2c1CC3 ZINC000587210293 JK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587211002 JK Annotated Bother Cc1nc2cccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587211005 JK Annotated Bother Cc1nc2cccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587211007 JK Annotated Bother Cc1nc2cccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587211010 JK Annotated Bother c1ccc(COc2ccc(OCCCOc3cccc(-c4cc5c6c(cccc6n4)CC5)c3)cc2)cc1 ZINC000587211017 JK Annotated Anodyne c1ccc(COc2ccc(OCCOc3cccc(-c4cc5c6c(cccc6n4)CC5)c3)cc2)cc1 ZINC000587211137 JK Annotated Anodyne c1ccc(COc2ccc(OCCOc3ccc(-c4cc5c6c(cccc6n4)CC5)cc3)cc2)cc1 ZINC000587211141 JK Annotated Anodyne CCOC(=O)C(Cc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC(C)C)C(=O)OCC ZINC000587211437 JK Annotated Anodyne CCCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCCCCC)nc2cccc3c2c1CC3 ZINC000587211555 JK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])c1 ZINC000587211640 JK Annotated Mild O=C(N[C@@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)CC4)OCC1c2ccccc2-c2ccccc21 ZINC000587212010 JK Annotated Anodyne O=C(N[C@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)CC4)OCC1c2ccccc2-c2ccccc21 ZINC000587212013 JK Annotated Anodyne CCCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 ZINC000587212465 JK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)CC7 ZINC000587212510 JK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)CC7 ZINC000587212514 JK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)CC7 ZINC000587212515 JK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)CC7 ZINC000587212516 JK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)CC7 ZINC000587212518 JK Annotated Mild O=C(CCc1c(-c2ccc(F)cc2)nc2cccc3c2c1CC3)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000587212886 JK Annotated Anodyne Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)nc3cccc4c3c2CC4)CC1 ZINC000587212945 JK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587213178 JK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587213201 JK Annotated Anodyne c1ccc(COc2ccc(OCCCOc3ccc(-c4cc5c6c(cccc6n4)CC5)cc3)cc2)cc1 ZINC000587213236 JK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)CC7 ZINC000587213279 JK Annotated Mild CCCCCCCCCCCCCCCCc1c(CC(=O)c2ccccc2)nc2cccc3c2c1CC3 ZINC000587213338 JK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2cccc3c2c1CC3 ZINC000587213424 JK Annotated Mild Oc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587213513 JK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)CC7 ZINC000587214082 JK Annotated Anodyne CC[C@H](c1cc2c3c(cccc3n1)CC2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587214090 JK Annotated Anodyne CC[C@@H](c1cc2c3c(cccc3n1)CC2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587214095 JK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587214183 JK Annotated Mild COc1cc(CCC(=O)Cc2nc3cccc4c3c(c2Cc2ccc(O)c(OC)c2)CC4)ccc1O ZINC000587214233 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 ZINC000587214252 JK Annotated Mild c1ccc(C(Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cn2)(c2ccccc2)c2ccccc2)cc1 ZINC000587214409 JK Annotated Anodyne Cc1cc(I)cc(-c2cc3c4c(cccc4n2)CC3)c1NC(=O)C(F)(F)F ZINC000587214410 JK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587214442 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](c5cc6c7c(cccc7n5)CC6)[C@@]4(C)CC[C@H]32)C1 ZINC000587214793 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(cccc6n4)CC5)CC[C@H]32)C1 ZINC000587214794 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](c5cc6c7c(cccc7n5)CC6)[C@@]4(C)CC[C@H]32)C1 ZINC000587214795 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(cccc6n4)CC5)CC[C@H]32)C1 ZINC000587214796 JK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(cccc3n1)CC2 ZINC000587214801 JK Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@@H]21)CC6 ZINC000587214832 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@@]3(C)[C@@H]21)CC6 ZINC000587214835 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]21)CC6 ZINC000587214837 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@@]3(C)[C@H]21)CC6 ZINC000587214839 JK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587214884 JK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587214928 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4Cc5c(nc6cccc7c6c5CC7)[C@@]4(C)CC[C@@H]32)C1 ZINC000587214957 JK Annotated Mild C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1Cc1c2nc2cccc3c2c1CC3 ZINC000587215010 JK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587215050 JK Annotated Mild CCC[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)CC5 ZINC000587215090 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@@H]2C(=O)CO ZINC000587215130 JK Annotated Anodyne C[C@@]12CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]1C(=O)CO)CC6 ZINC000587215132 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2C(=O)CO ZINC000587215135 JK Annotated Anodyne C[C@@]12CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]1CC[C@]1(C)[C@H](C(=O)CO)CC[C@H]21)CC6 ZINC000587215137 JK Annotated Anodyne CCCCCCCCC[C@H](O)Cc1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)CC3 ZINC000587215151 JK Annotated Mild CC1(C)CC(=O)C([C@H](c2ccccc2)c2c(-c3ccccc3)nc3cccc4c3c2CC4)C(=O)C1 ZINC000587215304 JK Annotated Anodyne CC1(C)CC(=O)C([C@@H](c2ccccc2)c2c(-c3ccccc3)nc3cccc4c3c2CC4)C(=O)C1 ZINC000587215305 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000587215382 JK Annotated Anodyne CCCCCCCCCCCCCCc1c(-c2c(O)oc(CO)c2O)nc2cccc3c2c1CC3 ZINC000587215638 JK Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587215798 JK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)CC7 ZINC000587215925 JK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)CC7 ZINC000587215996 JK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@H](c4cc5c6c(cccc6n4)CC5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587216056 JK Annotated Mild C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=Cc2nc4cccc5c4c(c2C[C@@]13C)CC5 ZINC000587216201 JK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4cccc5c4c(c3CCCC)CC5)[C@H]1C2 ZINC000587216308 JK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4cccc5c4c(c3CCCC)CC5)[C@H]1C2 ZINC000587216309 JK Annotated Mild CCCOc1ccn2c(-c3cc4c5c(cccc5n3)CC4)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587216568 JK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216689 JK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216690 JK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216691 JK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216692 JK Annotated Anodyne Cc1c([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1CC3 ZINC000587216876 JK Annotated Anodyne Cc1c([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1CC3 ZINC000587216877 JK Annotated Anodyne Cc1c([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1CC3 ZINC000587216878 JK Annotated Anodyne Cc1c([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1CC3 ZINC000587216879 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000587217356 JK Annotated Reactive CC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587217584 JK Annotated Reactive CC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587217586 JK Annotated Reactive O=C(N[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000587217660 JK Annotated Reactive Cc1cnc(Cl)c2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc12 ZINC000587218159 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc12 ZINC000587218160 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587218536 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587218537 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587218670 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587218677 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1 ZINC000587218781 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1 ZINC000587218785 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1 ZINC000587219124 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1 ZINC000587219125 JK Annotated Anodyne Cc1ccnc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587219477 JK Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587219480 JK Annotated Anodyne Cc1ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587219515 JK Annotated Anodyne Cc1ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587219517 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000587219650 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000587219651 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000587219675 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000587219676 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000587219681 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000587219682 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1 ZINC000587219688 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1 ZINC000587219689 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587219716 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587219717 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587219751 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587219758 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587219818 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587219820 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587219922 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587219923 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(N)ncc2[nH]1 ZINC000587219956 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(N)ncc2[nH]1 ZINC000587219957 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587220014 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587220022 JK Annotated Anodyne Cc1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1C ZINC000587220289 JK Annotated Anodyne Cc1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1C ZINC000587220295 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587220335 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587220336 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587220377 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587220380 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1 ZINC000587220382 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1 ZINC000587220385 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220420 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220422 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220452 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220453 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587220525 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587220531 JK Annotated Anodyne N#Cc1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587220537 JK Annotated Mild N#Cc1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587220541 JK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587220808 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587220809 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587220810 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587220811 JK Annotated Anodyne COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587220819 JK Annotated Reactive O=C(N[C@H](c1ccccc1)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220921 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220926 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1 ZINC000587221164 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1 ZINC000587221165 JK Annotated Anodyne COc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1C ZINC000587221196 JK Annotated Anodyne COc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1C ZINC000587221198 JK Annotated Anodyne N#Cc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1C#N ZINC000587221221 JK Annotated Mild N#Cc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1C#N ZINC000587221224 JK Annotated Mild CC(C)Oc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587221294 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587221295 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587221368 JK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587221369 JK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587221377 JK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587221380 JK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)ncc2[nH]1 ZINC000587221391 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)ncc2[nH]1 ZINC000587221393 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587221410 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587221413 JK Annotated Anodyne Cc1nccc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587221446 JK Annotated Anodyne Cc1nccc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587221449 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587221560 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587221561 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221641 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221643 JK Annotated Anodyne COc1cncc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587221684 JK Annotated Anodyne COc1cncc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587221685 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221715 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221717 JK Annotated Anodyne COc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cn1 ZINC000587221719 JK Annotated Anodyne COc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cn1 ZINC000587221721 JK Annotated Anodyne Cc1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587221728 JK Annotated Anodyne Cc1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587221731 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221746 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221748 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221755 JK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221758 JK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221766 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221769 JK Annotated Anodyne COc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1F ZINC000587221784 JK Annotated Anodyne COc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1F ZINC000587221786 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000587221893 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000587221896 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000587221991 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000587221996 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587222092 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587222097 JK Annotated Anodyne COc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587222190 JK Annotated Anodyne COc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587222191 JK Annotated Anodyne COc1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587222233 JK Annotated Anodyne COc1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587222234 JK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222240 JK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222246 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222272 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222275 JK Annotated Anodyne Cc1cnc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222278 JK Annotated Anodyne Cc1cnc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222281 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222294 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222297 JK Annotated Anodyne Nc1ccnc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587222356 JK Annotated Anodyne Nc1ccnc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587222359 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222426 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222428 JK Annotated Anodyne C=CCc1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222456 JK Annotated Mild C=CCc1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222463 JK Annotated Mild O=C(N[C@H](c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222472 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222478 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222481 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222483 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000587222529 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000587222533 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587222566 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587222568 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncnc2[nH]1 ZINC000587222658 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncnc2[nH]1 ZINC000587222659 JK Annotated Anodyne C=CCc1cccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222667 JK Annotated Mild C=CCc1cccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222668 JK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587222675 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587222681 JK Annotated Anodyne Cc1cnc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587222684 JK Annotated Anodyne Cc1cnc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587222687 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(N)ccnc2[nH]1 ZINC000587222747 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(N)ccnc2[nH]1 ZINC000587222752 JK Annotated Anodyne Cc1c(F)ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222776 JK Annotated Anodyne Cc1c(F)ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222793 JK Annotated Anodyne Cc1cncc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222888 JK Annotated Anodyne Cc1cncc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222890 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222928 JK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222929 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222936 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222937 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222972 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222973 JK Annotated Anodyne Cc1c(F)ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587223002 JK Annotated Anodyne Cc1c(F)ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587223004 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(Cl)c2[nH]1 ZINC000587223266 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(Cl)c2[nH]1 ZINC000587223267 JK Annotated Anodyne Cc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587223272 JK Annotated Anodyne Cc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587223273 JK Annotated Anodyne COc1ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587223400 JK Annotated Anodyne COc1ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587223401 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223484 JK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223492 JK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223495 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223496 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223497 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223498 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587223513 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587223517 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587223526 JK Annotated Anodyne CC(C)COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587223528 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223616 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223619 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](NC(=O)OC(C)(C)C)C5CCCC5)[nH]c4c3)o2)cc1 ZINC000587223658 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](NC(=O)OC(C)(C)C)C5CCCC5)[nH]c4c3)o2)cc1 ZINC000587223660 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1CCCC1 ZINC000587223665 JK Annotated Anodyne Cc1ccnc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587223692 JK Annotated Anodyne Cc1ccnc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587223693 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223703 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223704 JK Annotated Anodyne CCCCOc1cc2nc(CNC(=O)c3ccc(NC(=O)OCC)cc3)[nH]c2cc1Br ZINC000587223725 JK Annotated Anodyne Cc1cc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587223882 JK Annotated Anodyne Cc1cc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587223884 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnnc(O)c2[nH]1 ZINC000587223993 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnnc(O)c2[nH]1 ZINC000587223994 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cnc2[nH]1 ZINC000587224057 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cnc2[nH]1 ZINC000587224059 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1CCCC1 ZINC000587224104 JK Annotated Anodyne COc1nccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587224231 JK Annotated Anodyne COc1nccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587224233 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc(Cl)c2[nH]1 ZINC000587224732 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc(Cl)c2[nH]1 ZINC000587224733 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(N)ncnc2[nH]1 ZINC000587224756 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(N)ncnc2[nH]1 ZINC000587224757 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587224762 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587224763 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ncc[nH]c-2n1 ZINC000587224881 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ncc[nH]c-2n1 ZINC000587224883 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587224895 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587224897 JK Annotated Anodyne NC(=O)c1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587224963 JK Annotated Anodyne NC(=O)c1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587224964 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224969 JK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224971 JK Annotated Bother Cc1nccc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587225011 JK Annotated Anodyne Cc1nccc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587225012 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225024 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225025 JK Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587225230 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587225263 JK Annotated Anodyne CCCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587225265 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587225293 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587225295 JK Annotated Anodyne Cc1cncc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225328 JK Annotated Anodyne Cc1cncc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225330 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)ncnc2[nH]1 ZINC000587225438 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)ncnc2[nH]1 ZINC000587225441 JK Annotated Anodyne COc1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225516 JK Annotated Anodyne COc1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225518 JK Annotated Anodyne CC(C)Oc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587225553 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587225562 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587225825 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587225827 JK Annotated Anodyne Cc1cc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c(C)n1 ZINC000587225853 JK Annotated Anodyne Cc1cc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c(C)n1 ZINC000587225856 JK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225918 JK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225920 JK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225923 JK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225925 JK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225962 JK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225963 JK Annotated Anodyne CCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587225968 JK Annotated Anodyne CCCOc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587225972 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)ccnc2[nH]1 ZINC000587226026 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)ccnc2[nH]1 ZINC000587226027 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587226061 JK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587226062 JK Annotated Bother COc1cccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226385 JK Annotated Anodyne COc1cccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226386 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000587226391 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000587226399 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccnc2[nH]1 ZINC000587226424 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccnc2[nH]1 ZINC000587226426 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587226452 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587226459 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587226462 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587226465 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)C1CCCC1 ZINC000587226475 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C1CCCC1 ZINC000587226477 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000587226547 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000587226548 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587226559 JK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587226560 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC000587226579 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC000587226584 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C1CCCC1 ZINC000587226586 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C1CCCC1 ZINC000587226588 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C1CCCC1 ZINC000587226602 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)C1CCCC1 ZINC000587226604 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587226850 JK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587226852 JK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587226937 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587226938 JK Annotated Anodyne COc1nccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226939 JK Annotated Anodyne COc1nccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226940 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(N)c2[nH]1 ZINC000587226951 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(N)c2[nH]1 ZINC000587226952 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(O)c2[nH]1 ZINC000587226965 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(O)c2[nH]1 ZINC000587226966 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C#N)c2[nH]1 ZINC000587226975 JK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C#N)c2[nH]1 ZINC000587226977 JK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(F)c2[nH]1 ZINC000587226978 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(F)c2[nH]1 ZINC000587226979 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587226981 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587226982 JK Annotated Anodyne COc1cncc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226985 JK Annotated Anodyne COc1cncc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226987 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Cl)nc2[nH]1 ZINC000587226988 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Cl)nc2[nH]1 ZINC000587226989 JK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587227095 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587227231 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587227233 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)cc1 ZINC000587227247 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)cc1 ZINC000587227248 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587227249 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587227257 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587227277 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587227281 JK Annotated Anodyne Cc1ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587227345 JK Annotated Anodyne Cc1ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587227346 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1CCCC1 ZINC000587227501 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1CCCC1 ZINC000587227502 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587227503 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1CCCC1 ZINC000587227504 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(O)c2[nH]1 ZINC000587227582 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(O)c2[nH]1 ZINC000587227584 JK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)ncnc2[nH]1 ZINC000587227597 JK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)ncnc2[nH]1 ZINC000587227598 JK Annotated Anodyne COc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587227609 JK Annotated Anodyne COc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587227610 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587227655 JK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587227657 JK Annotated Anodyne Cc1cccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587227660 JK Annotated Anodyne Cc1cccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587227661 JK Annotated Anodyne CCCCCOc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1Br ZINC000587227870 JK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587227932 JK Annotated Mild COc1ccc(C)cc1NCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587227950 JK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587227977 JK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587228060 JK Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587228095 JK Annotated Reactive CCCCCCCC(=O)NCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587228256 JK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587228280 JK Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587228306 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587228316 JK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587228374 JK Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587228385 JK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587228484 JK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587228683 JK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587228782 JK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587228824 JK Annotated Mild Cc1c(Br)cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1C ZINC000587229077 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587229155 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587229212 JK Annotated Bother CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(I)cc3[nH]2)c(C2CC2)n1 ZINC000587229218 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 ZINC000587229225 JK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587229226 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C2CC2)n1 ZINC000587229241 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cccnc5NCc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587229245 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(C2CC2)n1 ZINC000587229251 JK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587229262 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587229281 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1C ZINC000587229285 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C2CC2)n1 ZINC000587229298 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 ZINC000587229316 JK Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587229331 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCCNc5cc(C)ccc5OC)[nH]c4c3)o2)cc1 ZINC000587229452 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(C2CC2)n1 ZINC000587229551 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587229553 JK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587229574 JK Annotated Anodyne COC(=O)c1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587229575 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C2CC2)n1 ZINC000587229588 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C2CC2)n1 ZINC000587229597 JK Annotated Anodyne Brc1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2cc1OCc1ccccc1 ZINC000587229635 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C2CC2)n1 ZINC000587229638 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587229644 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(CNc6ncccc6C#N)c5)[nH]c4c3)o2)cc1 ZINC000587229688 JK Annotated Mild Brc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587229867 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C2CC2)n1 ZINC000587229871 JK Annotated Reactive Brc1cnc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc12 ZINC000587229894 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229908 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C2CC2)n1 ZINC000587229917 JK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587229942 JK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587229959 JK Annotated Mild Cc1cc(Br)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1 ZINC000587229974 JK Annotated Anodyne Cc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587229984 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C2CC2)n1 ZINC000587229987 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587230133 JK Annotated Mild CC(C)CCOc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587230152 JK Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587230164 JK Annotated Reactive CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C2CC2)n1 ZINC000587230217 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(C2CC2)n1 ZINC000587230227 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230231 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C2CC2)n1 ZINC000587230291 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587230305 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C2CC2)n1 ZINC000587230308 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587230309 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C2CC2)n1 ZINC000587230344 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000587230351 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587230363 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C2CC2)n1 ZINC000587230378 JK Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587230381 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587230390 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(C2CC2)n1 ZINC000587230397 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587230521 JK Annotated Mild O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587230631 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C2CC2)n1 ZINC000587230642 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc(Br)c2[nH]1 ZINC000587230675 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230701 JK Annotated Mild Cc1c(Br)ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 ZINC000587230707 JK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587230717 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587230732 JK Annotated Mild FC(F)(F)Oc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587230739 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C2CC2)n1 ZINC000587230743 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc12 ZINC000587230755 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(I)c3[nH]2)c(C2CC2)n1 ZINC000587230761 JK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c3c2)cc1 ZINC000587230769 JK Annotated Clean FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587230778 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587230786 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587230815 JK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587230860 JK Annotated Reactive CCCCOc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587230871 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587230884 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587231026 JK Annotated Mild COC(=O)c1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587231054 JK Annotated Mild CCCOc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587231076 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc2c1 ZINC000587231080 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587231133 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587231152 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587231163 JK Annotated Mild O=C(c1ccccc1)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587231171 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587231200 JK Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587231273 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587231304 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587231317 JK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587231368 JK Annotated Mild FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231468 JK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587231499 JK Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C2CC2)n1 ZINC000587231566 JK Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587231569 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)nc2c1 ZINC000587231589 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C2CC2)n1 ZINC000587231644 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C2CC2)n1 ZINC000587231646 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587231650 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587231652 JK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587231656 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c(F)c1Nc1ccccc1 ZINC000587231660 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587231675 JK Annotated Anodyne Brc1ncc(Br)c2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231682 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C2CC2)n1 ZINC000587231838 JK Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587231846 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587231848 JK Annotated Reactive CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587231875 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587231887 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C2CC2)n1 ZINC000587231908 JK Annotated Bother CCCOc1cc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2cc1Br ZINC000587231912 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231948 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587231955 JK Annotated Anodyne CCCCOc1cc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2cc1Br ZINC000587231957 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C2CC2)n1 ZINC000587231997 JK Annotated Clean FC(F)(F)c1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232005 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587232008 JK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587232018 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 ZINC000587232025 JK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587232144 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C2CC2)n1 ZINC000587232153 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232185 JK Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)c1 ZINC000587232209 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232341 JK Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587232399 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232410 JK Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587232432 JK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587232436 JK Annotated Anodyne Brc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1OCc1ccccc1 ZINC000587232456 JK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587232600 JK Annotated Anodyne Brc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1Br ZINC000587232650 JK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587232687 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587232722 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587232761 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587232781 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232801 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587232827 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587232838 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232852 JK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232873 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587232890 JK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233075 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587233084 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233185 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587233210 JK Annotated Anodyne CCCOc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233243 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587233286 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587233301 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4CCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587233315 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587233323 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587233338 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233348 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587233355 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587233361 JK Annotated Anodyne CCCCOc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233375 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587233478 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233508 JK Annotated Anodyne CC(C)COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233584 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CCC[C@@H]5NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587233607 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587233645 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587233664 JK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233690 JK Annotated Anodyne CC(C)COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587233756 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC(=O)CC1 ZINC000587233757 JK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c3c2)cc1 ZINC000587233799 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587233933 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c2)c1 ZINC000587233936 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CCC[C@H]5NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587233958 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587234004 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587234018 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587234019 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587234041 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587234049 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587234084 JK Annotated Anodyne COC(=O)c1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587234099 JK Annotated Anodyne CC(=O)NC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCC(C)CC1 ZINC000587234111 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC(=O)CC1 ZINC000587234113 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587234185 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587234186 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587234236 JK Annotated Anodyne CC(C)CCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587234245 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Br ZINC000587234264 JK Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587234294 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587234306 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587234319 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587234325 JK Annotated Anodyne COC(=O)c1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587234327 JK Annotated Anodyne CCCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587234382 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587234429 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587234461 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCC(=O)CC1 ZINC000587234525 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCC(=O)CC1 ZINC000587234577 JK Annotated Anodyne CCCCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587234584 JK Annotated Anodyne CC(=O)NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(C)CC1 ZINC000587234600 JK Annotated Reactive CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC(=O)CC1 ZINC000587234707 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cccc(NC)c4)c3)nc2c1 ZINC000587234756 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC(=O)CC1 ZINC000587234775 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCC(=O)CC1 ZINC000587234785 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCC(=O)CC1 ZINC000587234854 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587235007 JK Annotated Anodyne CC(C)CCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587235063 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587235165 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CCCC[C@H]5NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587235198 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587235212 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587235213 JK Annotated Anodyne CC(C)COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587235228 JK Annotated Anodyne CCCCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587235424 JK Annotated Anodyne CCCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587235444 JK Annotated Anodyne O=C(NC1(c2nc3ccc(O)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235457 JK Annotated Anodyne O=C(NC1(c2nc3c(O)ncnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235531 JK Annotated Anodyne COc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2n1 ZINC000587235542 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)c2)c1 ZINC000587235618 JK Annotated Anodyne O=C(NC1(c2nc3c(O)nc(O)nc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235667 JK Annotated Anodyne O=C(NC1(c2nc3ccc(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235683 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587235838 JK Annotated Anodyne O=C(NC1(c2nc3cc(F)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235881 JK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1C ZINC000587235890 JK Annotated Anodyne N#Cc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587235938 JK Annotated Mild Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235952 JK Annotated Anodyne O=C(N[C@@]1(c2nc3cncnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235957 JK Annotated Anodyne O=C(N[C@]1(c2nc3cncnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235958 JK Annotated Anodyne Cc1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235974 JK Annotated Anodyne Cc1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235975 JK Annotated Anodyne Nc1nccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587235987 JK Annotated Anodyne COc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236030 JK Annotated Anodyne O=C(N[C@@]1(c2nc3cnccc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236031 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587236092 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587236105 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c2cc1Br ZINC000587236150 JK Annotated Anodyne O=C(N[C@]1(c2nc3cnccc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236215 JK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1F ZINC000587236242 JK Annotated Anodyne O=C(N[C@@]1(c2nc3ncc[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236306 JK Annotated Anodyne O=C(N[C@]1(c2nc3ncc[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236307 JK Annotated Anodyne N=c1[nH]cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc-2[nH]1 ZINC000587236309 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c2cc1Br ZINC000587236332 JK Annotated Anodyne COc1cncc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587236438 JK Annotated Anodyne O=C(NC1(c2nc3cccc(O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236497 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587236508 JK Annotated Anodyne CCCCCOc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1Br ZINC000587236625 JK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CCCC2)cc1 ZINC000587236664 JK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587236685 JK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587236735 JK Annotated Anodyne Cc1cnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236819 JK Annotated Anodyne Nc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cn1 ZINC000587236826 JK Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2n1 ZINC000587236871 JK Annotated Anodyne O=C(NC1(c2nc3ncc[nH]c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236876 JK Annotated Anodyne Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c(C)n1 ZINC000587236898 JK Annotated Anodyne O=C(NC1(c2nc3cccc(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236904 JK Annotated Anodyne O=C(NC1(c2nc3ccnc(O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236926 JK Annotated Anodyne O=C(N[C@]1(c2nc3ccccc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236936 JK Annotated Anodyne O=C(N[C@@]1(c2nc3ccccc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236939 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC(O)CC1 ZINC000587237005 JK Annotated Reactive O=C(NC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237007 JK Annotated Anodyne COC(=O)c1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587237012 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587237014 JK Annotated Anodyne Cc1ccc(NC2(c3nc4c(Br)cnc(Br)c4[nH]3)CCCC2)cc1 ZINC000587237017 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCC(O)CC1 ZINC000587237027 JK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237035 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237051 JK Annotated Mild Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237062 JK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1C ZINC000587237076 JK Annotated Anodyne O=C(NC1(c2nc3cccnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237079 JK Annotated Anodyne Cc1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587237081 JK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cn1 ZINC000587237106 JK Annotated Anodyne Cc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237118 JK Annotated Anodyne CCc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587237119 JK Annotated Anodyne Cc1cc(F)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587237126 JK Annotated Anodyne Cc1c(F)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237144 JK Annotated Anodyne O=C(NC1(c2nc3cnc4ccccc4c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237145 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587237159 JK Annotated Anodyne Nc1ncnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587237173 JK Annotated Anodyne Nc1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587237180 JK Annotated Anodyne Cc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237181 JK Annotated Anodyne Cc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237183 JK Annotated Anodyne O=C(NC1(c2nc3cnccc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237192 JK Annotated Anodyne O=C(NC1(c2nc3cncnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237213 JK Annotated Anodyne O=C(N[C@@]1(c2nc3cccnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237216 JK Annotated Anodyne O=C(N[C@]1(c2nc3cccnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237217 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1Br ZINC000587237282 JK Annotated Mild O=C(NC1(c2nc3ccccc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237305 JK Annotated Anodyne CC(C)Oc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237309 JK Annotated Anodyne Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c(C)n1 ZINC000587237311 JK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)ncc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237317 JK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1C ZINC000587237320 JK Annotated Anodyne CC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237327 JK Annotated Anodyne O=C(NC1(c2nc3ccc(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237367 JK Annotated Anodyne COc1nccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237372 JK Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1C ZINC000587237385 JK Annotated Anodyne COc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237414 JK Annotated Anodyne O=C(NC1(c2nc3cccc(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237418 JK Annotated Anodyne Cc1cc(Cl)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237427 JK Annotated Anodyne Cc1cc(C)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587237429 JK Annotated Anodyne Cc1nccc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587237435 JK Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1C ZINC000587237439 JK Annotated Anodyne O=C(NC1(c2nc3cccnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237444 JK Annotated Anodyne O=C(NC1(c2nc3ccc(F)c(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237451 JK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Cl ZINC000587237453 JK Annotated Anodyne Cc1cncc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237459 JK Annotated Anodyne O=C(NC1(c2nc3ccc(CO)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237474 JK Annotated Anodyne O=C(NC1(c2nc3cnncc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237499 JK Annotated Anodyne O=C(NC1(c2nc3cnnc(O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237510 JK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587237511 JK Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CCCC2)cc1 ZINC000587237523 JK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587237559 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(Nc6ccc(C)cc6)CCCC5)[nH]c4c3)o2)cc1 ZINC000587237562 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCC(O)CC1 ZINC000587237577 JK Annotated Anodyne Nc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1N ZINC000587237605 JK Annotated Anodyne O=C(N[C@@]1(c2nc3cnncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237606 JK Annotated Anodyne O=C(N[C@]1(c2nc3cnncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237607 JK Annotated Anodyne N#Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587237631 JK Annotated Mild Cc1cc(C)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237687 JK Annotated Anodyne O=C(NC1(c2nc3ccc(Cl)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237703 JK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237706 JK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1F ZINC000587237718 JK Annotated Anodyne CC(C)(C)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237719 JK Annotated Anodyne O=C(NC1(c2nc3c(Cl)ccnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237726 JK Annotated Anodyne Cc1c(F)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237732 JK Annotated Anodyne Cc1ccc(NC2(c3nc4c(I)cnc(Cl)c4[nH]3)CCCC2)cc1 ZINC000587237759 JK Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CCCC2)cc1 ZINC000587237768 JK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CCCC2)cc1 ZINC000587237771 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2c1 ZINC000587237780 JK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCCC2)cc1 ZINC000587237822 JK Annotated Reactive COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1OC ZINC000587237850 JK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237852 JK Annotated Anodyne O=C(NC1(c2nc3cc(F)c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237867 JK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237868 JK Annotated Mild COc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237874 JK Annotated Anodyne C=CCc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237907 JK Annotated Mild Cc1ccc(C)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587237928 JK Annotated Anodyne Cc1c(Cl)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237941 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587237965 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587237970 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587237977 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587237979 JK Annotated Anodyne COc1ccc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587237984 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(I)c3[nH]2)c1 ZINC000587237997 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237999 JK Annotated Anodyne COc1ccc(-c2nc3ccnc(O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238010 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587238012 JK Annotated Anodyne COc1ccc(-c2nc3cccc(O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238017 JK Annotated Anodyne COc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238026 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238039 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238041 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238042 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238044 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238060 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238062 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238064 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238065 JK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1F ZINC000587238089 JK Annotated Anodyne O=C(NC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238093 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587238103 JK Annotated Anodyne CCc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587238104 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587238108 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587238110 JK Annotated Anodyne COc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238111 JK Annotated Anodyne Cc1c(Br)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587238114 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238124 JK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238125 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238126 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238127 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238129 JK Annotated Anodyne CC(C)(C)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587238141 JK Annotated Anodyne O=C(NC1(c2nc3cccc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238147 JK Annotated Anodyne O=C(NC1(c2nc3ccc4ncccc4c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238155 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238160 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238162 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238164 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238166 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238167 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238168 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238169 JK Annotated Anodyne O=C(NC1(c2nc3cnccc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238170 JK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238171 JK Annotated Anodyne O=C(NC1(c2nc3cncc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238173 JK Annotated Anodyne Cc1cc(F)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587238220 JK Annotated Anodyne COc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587238227 JK Annotated Anodyne O=C(NC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238233 JK Annotated Anodyne O=C(NC1(c2nc3ccc(Cl)nc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238239 JK Annotated Anodyne Cc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587238244 JK Annotated Anodyne COc1cc(OC)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587238250 JK Annotated Anodyne CC(C)(C)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2n1 ZINC000587238251 JK Annotated Anodyne O=C(NC1(c2nc3cc4ccccc4cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238255 JK Annotated Anodyne O=C(NC1(c2nc3ccnc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238276 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238290 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238291 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238292 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238293 JK Annotated Anodyne COc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238328 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(N)c3Nc3cc(C)cc(C)c3)nc2c1 ZINC000587238357 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587238365 JK Annotated Anodyne O=C(NC1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238372 JK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cnncc3[nH]2)cc1OC ZINC000587238384 JK Annotated Anodyne COc1ccc(-c2nc3ncc[nH]c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238387 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238410 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238412 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238413 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238415 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587238417 JK Annotated Anodyne COc1ccc(-c2nc3cncc(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238447 JK Annotated Anodyne COc1ccc(-c2nc3cccc(OC)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238456 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587238465 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238538 JK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238539 JK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238540 JK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238541 JK Annotated Reactive Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587238689 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238694 JK Annotated Anodyne COc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238697 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587238701 JK Annotated Anodyne COc1ccc(-c2nc3ccnc(N)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238712 JK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238724 JK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ncc[nH]c-3n2)cc1OC ZINC000587238727 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587238730 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(N)c3Nc3cc(C)cc(C)c3)nc2c1 ZINC000587238763 JK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1C ZINC000587238834 JK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1C ZINC000587238918 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cc1Br ZINC000587238976 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587238988 JK Annotated Anodyne COc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239011 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239018 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587239021 JK Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239024 JK Annotated Anodyne COc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239025 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239040 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239041 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239043 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239045 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239048 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239050 JK Annotated Anodyne COc1ccc(-c2nc3c(N)ccnc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239052 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239053 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239055 JK Annotated Anodyne O=C(NC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239057 JK Annotated Bother COc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239066 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cc1Br ZINC000587239080 JK Annotated Anodyne Cc1c(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1C ZINC000587239121 JK Annotated Anodyne Cc1c(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1C ZINC000587239122 JK Annotated Anodyne Cc1c(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1C ZINC000587239123 JK Annotated Anodyne Cc1c(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1C ZINC000587239124 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239139 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239140 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239141 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239142 JK Annotated Bother Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587239151 JK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587239152 JK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587239153 JK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587239154 JK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587239217 JK Annotated Reactive COc1ccc(-c2nc3cccc(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239280 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587239288 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587239291 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587239295 JK Annotated Bother Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587239307 JK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239324 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239327 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239328 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239329 JK Annotated Anodyne COc1ccc(-c2nc3cnnc(O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239350 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239354 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239356 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239357 JK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239359 JK Annotated Bother COc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239376 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239377 JK Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239379 JK Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239381 JK Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239382 JK Annotated Mild CSc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587239383 JK Annotated Anodyne COc1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239393 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587239403 JK Annotated Anodyne COc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239423 JK Annotated Mild Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587239425 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239436 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239437 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239439 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239440 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587239458 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587239465 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587239472 JK Annotated Bother COc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239480 JK Annotated Anodyne COc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239481 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cc1Br ZINC000587239482 JK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cncnc3[nH]2)cc1OC ZINC000587239483 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CC(=O)Nc5cccc(C)c5C)[nH]c4c3)o2)cc1 ZINC000587239536 JK Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587239578 JK Annotated Reactive CCCCCCCCOc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br ZINC000587239589 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587239927 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239938 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239939 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239940 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239941 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(O)c1 ZINC000587239954 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587239968 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(O)c1 ZINC000587240020 JK Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240074 JK Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240075 JK Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240076 JK Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240077 JK Annotated Clean Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(O)c1 ZINC000587240178 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(O)c1 ZINC000587240185 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587240187 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(O)c1 ZINC000587240190 JK Annotated Bother COC(=O)c1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587240203 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c(O)c1 ZINC000587240214 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240219 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240223 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240224 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240225 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587240234 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587240235 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587240237 JK Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587240239 JK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 ZINC000587240255 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587240272 JK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cc1Br ZINC000587240302 JK Annotated Anodyne Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2cc1[N+](=O)[O-] ZINC000587240349 JK Annotated Bother CC(C)Oc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587240375 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587240386 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587240398 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587240448 JK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587240451 JK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240452 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240453 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240454 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240455 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240521 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240522 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240523 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240524 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240549 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240552 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240555 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240556 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587240558 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240569 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240571 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240574 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240575 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c1 ZINC000587240591 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(O)c1 ZINC000587240592 JK Annotated Bother CCCCOc1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cc1Br ZINC000587240615 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587240680 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587240683 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587240692 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Nc3ccccc3OC)nc2c1 ZINC000587240730 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240829 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240830 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240831 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240832 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)c(O)c1 ZINC000587240858 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587240872 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587240891 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587240904 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(O)c1 ZINC000587240905 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1 ZINC000587240914 JK Annotated Bother COc1ccccc1Nc1ccccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587240919 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587240928 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(O)c1 ZINC000587240933 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587240942 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(O)c1 ZINC000587240946 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587240984 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(O)c1 ZINC000587241007 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(N)c4Nc4cc(C)cc(C)c4)[nH]c3c2)cc1 ZINC000587241016 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(C(=O)Nc3ccccc3CC)nc2cc1Br ZINC000587241031 JK Annotated Mild COc1ccccc1Nc1ccccc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587241035 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241062 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241063 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241064 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241065 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241081 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241082 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241083 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241084 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241098 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241099 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241100 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241101 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241103 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241104 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241105 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241106 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241120 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241121 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241122 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241123 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241131 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241132 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241133 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241134 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587241142 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587241184 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587241221 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(O)c1 ZINC000587241242 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(I)c3[nH]2)c(O)c1 ZINC000587241246 JK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(O)c1 ZINC000587241336 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587241367 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587241382 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587241483 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2c1 ZINC000587241513 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587241540 JK Annotated Reactive COc1ccccc1Nc1ccccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587241546 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Nc3ccccc3OC)nc2c1 ZINC000587241550 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587241571 JK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587241599 JK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587241607 JK Annotated Clean CCCCOc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1Br ZINC000587241671 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587241727 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587241731 JK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000587241874 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2cc1Br ZINC000587241915 JK Annotated Mild CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587241977 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587242067 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587242121 JK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587242199 JK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000587242230 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(Nc6ccc(O)cc6)c5)[nH]c4c3)o2)cc1 ZINC000587242237 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587242265 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587242278 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1Br ZINC000587242301 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587242368 JK Annotated Anodyne NC(=O)Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242371 JK Annotated Reactive CC(=O)Nc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242499 JK Annotated Reactive CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587242565 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2c1 ZINC000587242580 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242608 JK Annotated Reactive CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587242670 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587242671 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1Br ZINC000587242690 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242768 JK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242787 JK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587242834 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587242895 JK Annotated Anodyne Cc1cnc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587243262 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(F)c(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243272 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(O)ncnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243332 JK Annotated Anodyne Cc1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587243353 JK Annotated Anodyne COc1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587243368 JK Annotated Anodyne Cc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1F ZINC000587243371 JK Annotated Anodyne N#Cc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243378 JK Annotated Mild O=C(Nc1cccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243386 JK Annotated Bother Cc1cc(Cl)cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587243388 JK Annotated Anodyne COc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cn1 ZINC000587243392 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(O)nc(S)nc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243396 JK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br ZINC000587243442 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br ZINC000587243443 JK Annotated Mild O=C(Nc1cccc(Cc2nc3ccnc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243606 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc4c(cc3[nH]2)OCO4)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243612 JK Annotated Anodyne COc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1F ZINC000587243616 JK Annotated Anodyne Cc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1C ZINC000587243621 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(Cl)nc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243631 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3nc(Cl)c[nH]c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243633 JK Annotated Anodyne CCc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243637 JK Annotated Anodyne Cc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587243643 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Cl)ncnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243648 JK Annotated Anodyne Cc1cncc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587243649 JK Annotated Anodyne CSc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243656 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243659 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(O)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243667 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cnnc(O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243681 JK Annotated Anodyne Nc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cn1 ZINC000587243683 JK Annotated Anodyne Cc1cc(C)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587243695 JK Annotated Anodyne COc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587243721 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587243726 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243739 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243764 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587243804 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243819 JK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cc1Br ZINC000587243856 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587243859 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243871 JK Annotated Bother O=C(Nc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243927 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)ccnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243955 JK Annotated Anodyne Nc1nccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244001 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(F)cnc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244039 JK Annotated Anodyne Nc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1N ZINC000587244048 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244053 JK Annotated Anodyne Cc1nccc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587244076 JK Annotated Anodyne Nc1ccnc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587244088 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244092 JK Annotated Bother N#Cc1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244101 JK Annotated Mild O=C(Nc1cccc(Cc2nc3ccnc(O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244105 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587244136 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cnc4ccccc4c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244148 JK Annotated Anodyne N#Cc1nc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2nc1C#N ZINC000587244246 JK Annotated Mild N#Cc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1C#N ZINC000587244269 JK Annotated Mild O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244310 JK Annotated Bother O=C(Nc1cccc(Cc2nc3ccc(CO)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244312 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244330 JK Annotated Anodyne COc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244340 JK Annotated Anodyne Cc1nccc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587244365 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587244372 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)ncnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244382 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587244390 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587244392 JK Annotated Anodyne N=c1[nH]c2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc-2c(Cl)[nH]1 ZINC000587244397 JK Annotated Anodyne Cc1c(F)ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244407 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244413 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244417 JK Annotated Anodyne COc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cn1 ZINC000587244425 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587244450 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244463 JK Annotated Anodyne Cc1ccnc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587244467 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244469 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244472 JK Annotated Anodyne COc1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587244483 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(NC(=O)c5cnoc5C)cc4)[nH]c3c2)cc1 ZINC000587244500 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244513 JK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587244644 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244671 JK Annotated Bother O=C(Nc1cccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244675 JK Annotated Anodyne COc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1C ZINC000587244687 JK Annotated Anodyne Cc1cc(C)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587244692 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(C(=O)O)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244702 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Cl)ccnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244704 JK Annotated Anodyne Cc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244718 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244740 JK Annotated Bother O=C(Nc1cccc(Cc2nc3ccc4ncccc4c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244741 JK Annotated Anodyne Cc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1C ZINC000587244744 JK Annotated Anodyne CC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244748 JK Annotated Anodyne C=CCc1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244775 JK Annotated Mild Cc1cc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c(C)n1 ZINC000587244776 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587244777 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244781 JK Annotated Anodyne COc1cncc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244798 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(C(=O)O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244806 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(O)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244820 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244821 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cnnc(O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244846 JK Annotated Anodyne CCc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244849 JK Annotated Anodyne Cc1cnc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587244859 JK Annotated Anodyne Cc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1C ZINC000587244860 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244880 JK Annotated Anodyne COc1cncc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587244889 JK Annotated Anodyne Cc1cncc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587244892 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587244894 JK Annotated Anodyne Cc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244907 JK Annotated Anodyne Nc1nccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587244917 JK Annotated Anodyne COc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2n1 ZINC000587244919 JK Annotated Anodyne COc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1F ZINC000587244928 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244965 JK Annotated Anodyne Cc1c(Cl)ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587245029 JK Annotated Anodyne Cc1cc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c(C)n1 ZINC000587245066 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cncc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245072 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(CCO)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245076 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245085 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245088 JK Annotated Anodyne NC(=O)c1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587245094 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)cc(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245107 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Cl)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245109 JK Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587245117 JK Annotated Anodyne Cc1ccnc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587245135 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245148 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)c(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245149 JK Annotated Anodyne COc1nccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587245162 JK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cnc(Cl)[nH]c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245168 JK Annotated Anodyne N#Cc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587245177 JK Annotated Mild Cc1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245208 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245227 JK Annotated Anodyne C=CCc1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245234 JK Annotated Mild Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587245240 JK Annotated Anodyne Cc1ccc(C)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587245242 JK Annotated Anodyne N#Cc1nc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2nc1C#N ZINC000587245245 JK Annotated Mild COc1nccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245248 JK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587245260 JK Annotated Anodyne Cc1c(Cl)ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245265 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Cl)nc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245266 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(CO)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245287 JK Annotated Anodyne N=c1[nH]c2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc-2c(Cl)[nH]1 ZINC000587245313 JK Annotated Anodyne NC(=O)c1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245330 JK Annotated Anodyne CSc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587245359 JK Annotated Anodyne Cc1c(F)ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245372 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(O)ncnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245489 JK Annotated Anodyne Nc1ccnc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587245557 JK Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587245624 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(CCO)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245637 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccnc(O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245647 JK Annotated Anodyne COc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587245649 JK Annotated Anodyne N#Cc1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245663 JK Annotated Mild O=C(Nc1ccc(Cc2nc3cccc(C(=O)O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245664 JK Annotated Anodyne Cc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2n1 ZINC000587245685 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245705 JK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245729 JK Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1 ZINC000587245856 JK Annotated Reactive COc1ccc2c(c1)CC[C@](N)(c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000587245875 JK Annotated Reactive COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000587245876 JK Annotated Reactive COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)C2 ZINC000587246288 JK Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)C2 ZINC000587246289 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1Br ZINC000587246543 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(I)c2[nH]1 ZINC000587246564 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c1 ZINC000587246603 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1 ZINC000587246696 JK Annotated Reactive COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)C2 ZINC000587246910 JK Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)C2 ZINC000587246911 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1Br ZINC000587247127 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587247143 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587247145 JK Annotated Bother CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587247163 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587247166 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587247203 JK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587247341 JK Annotated Anodyne CCCCCOc1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587247342 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c1 ZINC000587247444 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587247488 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587247504 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587247539 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587247555 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cn1 ZINC000587247557 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1Br ZINC000587247571 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cc1Br ZINC000587247684 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587247689 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587247728 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587247730 JK Annotated Clean CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587247808 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587247810 JK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587247860 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1Br ZINC000587247877 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587247881 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587247886 JK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587247942 JK Annotated Reactive Nc1cccc(C(=O)O)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587248512 JK Annotated Reactive Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C(=O)O ZINC000587248742 JK Annotated Reactive Nc1cc(C(=O)O)ccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587248860 JK Annotated Reactive Nc1cc(C(=O)O)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587249538 JK Annotated Reactive COc1cc(C)c(N)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587250068 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc(OC)cc(C)c3N)[nH]c2cc1Br ZINC000587250268 JK Annotated Mild Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587250324 JK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2cc1Br ZINC000587250575 JK Annotated Anodyne Cc1ccc(CCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1N ZINC000587250621 JK Annotated Anodyne Cc1ccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1N ZINC000587250947 JK Annotated Reactive CCCCCCCCOc1cc2nc(CCc3ccc(C)c(N)c3)[nH]c2cc1Br ZINC000587250977 JK Annotated Mild Nc1ccccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587251079 JK Annotated Reactive Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587251168 JK Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587251169 JK Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000587251190 JK Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2c1 ZINC000587251312 JK Annotated Anodyne Nc1ccc2oc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2c1 ZINC000587251314 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cc1Br ZINC000587251461 JK Annotated Mild Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc2c1 ZINC000587251488 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2cc1Br ZINC000587251528 JK Annotated Mild Nc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c2ccccc2c1 ZINC000587251673 JK Annotated Anodyne Nc1ccc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587251682 JK Annotated Bother Nc1ccc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587251686 JK Annotated Bother Nc1ccc(C(=O)CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587251876 JK Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587251951 JK Annotated Reactive Nc1ccc(C(=O)CCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587252102 JK Annotated Anodyne Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2ccccc2n1 ZINC000587253228 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2cc1Br ZINC000587253235 JK Annotated Mild CCCCCOc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br ZINC000587253487 JK Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cn1 ZINC000587253680 JK Annotated Reactive Nc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc2ccccc12 ZINC000587253757 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br ZINC000587254100 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc4ccccc4c3N)[nH]c2cc1Br ZINC000587254113 JK Annotated Mild CCCCCCCCOc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br ZINC000587254261 JK Annotated Mild Nc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc2ccccc12 ZINC000587254744 JK Annotated Anodyne Nc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c2ccccc2n1 ZINC000587254764 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br ZINC000587254892 JK Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cn1 ZINC000587254902 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587256029 JK Annotated Mild CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587256357 JK Annotated Reactive CCCOc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587258271 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c1 ZINC000587258351 JK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587258368 JK Annotated Anodyne N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cccc2ccccc12 ZINC000587258441 JK Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1cccc2ccccc12 ZINC000587258498 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br ZINC000587258501 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](N)c5cccc6ccccc56)[nH]c4c3)o2)cc1 ZINC000587258527 JK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br ZINC000587258535 JK Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587258577 JK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cccc2ccccc12 ZINC000587258697 JK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587258799 JK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587258826 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br ZINC000587258926 JK Annotated Mild N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587258988 JK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587259002 JK Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587259049 JK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587259091 JK Annotated Anodyne N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587259160 JK Annotated Reactive N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1cccc2ccccc12 ZINC000587259212 JK Annotated Anodyne N[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1cccc2ccccc12 ZINC000587259675 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587260000 JK Annotated Mild NC(=O)c1cccc(C[C@H](N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587260005 JK Annotated Reactive [N-]=[N+]=NCCCCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587260035 JK Annotated Clean [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587260232 JK Annotated Clean N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587260425 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br ZINC000587260536 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260576 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260577 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260578 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260579 JK Annotated Mild CCCCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br ZINC000587260683 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587260935 JK Annotated Mild CCCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br ZINC000587260974 JK Annotated Bother Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587260980 JK Annotated Reactive Cc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261054 JK Annotated Bother COc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261097 JK Annotated Bother COc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261108 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587261167 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587261168 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587261346 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587261347 JK Annotated Bother COCCNc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261431 JK Annotated Bother CCCCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261668 JK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587261697 JK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587261735 JK Annotated Bother CCCCCOc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587261823 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587261855 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587261856 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587261905 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587261906 JK Annotated Bother CCCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261996 JK Annotated Bother COC(=O)c1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587262022 JK Annotated Bother Cc1cc(C#Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262384 JK Annotated Reactive CCCCCCCCOc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Br ZINC000587262403 JK Annotated Mild COCCNc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262410 JK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587262413 JK Annotated Bother COc1cc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262487 JK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587262653 JK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587262665 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587262685 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587262695 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587262739 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587262741 JK Annotated Bother CCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br ZINC000587262769 JK Annotated Bother Cc1cc(C#Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262777 JK Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587262816 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587262818 JK Annotated Bother COc1cc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262985 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587263230 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587263234 JK Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263460 JK Annotated Reactive C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263462 JK Annotated Reactive C[C@@H]1CC(=O)[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263464 JK Annotated Reactive C[C@@H]1CC(=O)[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263466 JK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587263660 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587263664 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587263677 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587263679 JK Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263720 JK Annotated Bother CCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br ZINC000587263738 JK Annotated Bother CCCOc1cc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263908 JK Annotated Bother CCCOc1cc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263909 JK Annotated Bother CCOC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 ZINC000587264084 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264096 JK Annotated Bother CCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587264124 JK Annotated Bother CCCCCOc1cc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587264145 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264146 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264159 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)o1 ZINC000587264201 JK Annotated Bother CC(C)COc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587264202 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587264261 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)o1 ZINC000587264275 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587264456 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587264457 JK Annotated Bother CCCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587264484 JK Annotated Bother COC(=O)c1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587264485 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)o1 ZINC000587264530 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264579 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264612 JK Annotated Bother CC(C)CCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587264699 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587264761 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587264762 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265022 JK Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265078 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265079 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587265107 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)o1 ZINC000587265134 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)o1 ZINC000587265188 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587265244 JK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587265246 JK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587265304 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587265305 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587265321 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587265323 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587265345 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587265346 JK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587265468 JK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587265470 JK Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587265472 JK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587265474 JK Annotated Bother CCCCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587265503 JK Annotated Bother CC(C)CCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587265544 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265578 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)o1 ZINC000587265648 JK Annotated Bother COCCOc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265678 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)o1 ZINC000587265696 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587265765 JK Annotated Reactive C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587265896 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587265968 JK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587266118 JK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587266119 JK Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587266120 JK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587266121 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)o1 ZINC000587266133 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 ZINC000587266147 JK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587266170 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587266176 JK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587266210 JK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587266212 JK Annotated Reactive CC(C)COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587266228 JK Annotated Bother COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c(F)c1Nc1ccccc1 ZINC000587266233 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1 ZINC000587266241 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)o1 ZINC000587266302 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587266313 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)o1 ZINC000587266371 JK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)o1 ZINC000587266374 JK Annotated Bother CCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587266617 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587266752 JK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587266797 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266798 JK Annotated Clean C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587266799 JK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587266801 JK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587266802 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587266839 JK Annotated Bother CC(C)CCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br ZINC000587266942 JK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587266978 JK Annotated Reactive C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587266980 JK Annotated Reactive C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587266981 JK Annotated Reactive C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587266982 JK Annotated Reactive CCCCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267014 JK Annotated Bother CCCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267025 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267054 JK Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587267150 JK Annotated Reactive Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587267157 JK Annotated Reactive C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587267176 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587267189 JK Annotated Bother CC(C)CCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267201 JK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587267238 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267259 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267260 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267345 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587267425 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587267426 JK Annotated Mild CC(C)Oc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267468 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267508 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267535 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267647 JK Annotated Bother CCCCCCCCOc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587267723 JK Annotated Mild Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267802 JK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3c2)cc1 ZINC000587267842 JK Annotated Bother CCCCCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br ZINC000587267857 JK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267869 JK Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587267875 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587267893 JK Annotated Mild Cc1nn(Cc2ccccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268001 JK Annotated Bother CCCCCCCCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br ZINC000587268002 JK Annotated Mild CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587268127 JK Annotated Bother Nc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268196 JK Annotated Reactive Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268255 JK Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587268318 JK Annotated Reactive CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587268346 JK Annotated Bother Cc1oc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268537 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587268713 JK Annotated Bother CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br ZINC000587268728 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587268740 JK Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587268751 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587268761 JK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])ccc5N5CCCC5)[nH]c4c3)o2)cc1 ZINC000587268768 JK Annotated Bother CCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br ZINC000587268771 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587268772 JK Annotated Bother CC(C)CCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587268778 JK Annotated Bother CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br ZINC000587268783 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 ZINC000587268861 JK Annotated Bother CC(C)Oc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587268898 JK Annotated Bother CCCCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587268967 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587268983 JK Annotated Bother CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br ZINC000587269041 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587269047 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587269067 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587269079 JK Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587269212 JK Annotated Reactive O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 ZINC000587269269 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587269272 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587269284 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587269336 JK Annotated Bother CC(C)Oc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587269342 JK Annotated Bother CCCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587269365 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587269420 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587269483 JK Annotated Bother CCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587269516 JK Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587269524 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 ZINC000587269528 JK Annotated Bother CC(C)COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587269560 JK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Br ZINC000587269639 JK Annotated Mild O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587269773 JK Annotated Bother CC(C)CCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587269824 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587269873 JK Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587269884 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587269922 JK Annotated Bother COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587269973 JK Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)nn2)c1 ZINC000587270113 JK Annotated Bother CCCOc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587270167 JK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000587270303 JK Annotated Bother O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587270336 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587270344 JK Annotated Bother CCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587270362 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587270430 JK Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587270537 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587270653 JK Annotated Bother CCCCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587270769 JK Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587270868 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587270879 JK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587270881 JK Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587270894 JK Annotated Reactive O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587270914 JK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587270940 JK Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587271013 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587271061 JK Annotated Mild O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000587271250 JK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271299 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271302 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271307 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271310 JK Annotated Clean O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587271316 JK Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587271364 JK Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000587271403 JK Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587271409 JK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 ZINC000587271460 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 ZINC000587271465 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587271466 JK Annotated Clean COC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 ZINC000587271467 JK Annotated Clean O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)cc1 ZINC000587271476 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 ZINC000587271502 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587271503 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 ZINC000587271504 JK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 ZINC000587271505 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271509 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271510 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271511 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271512 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271534 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271535 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271536 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271537 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(=O)O)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271582 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(=O)O)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271583 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(=O)O)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271584 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(=O)O)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271585 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271588 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271589 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271590 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271717 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c21 ZINC000587271719 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271775 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271780 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271782 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271784 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)[C@@H]1CC=C[C@@H]21 ZINC000587271791 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)[C@@H]1CC=C[C@H]21 ZINC000587271795 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)[C@H]1CC=C[C@H]21 ZINC000587271798 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)[C@H]1CC=C[C@@H]21 ZINC000587271799 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271896 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271897 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271898 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271899 JK Annotated Clean O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587271903 JK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)c(C)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271906 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)c(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271908 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)c(C)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271910 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)c(C)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271912 JK Annotated Clean CCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587271937 JK Annotated Clean CCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587271940 JK Annotated Clean CCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587271942 JK Annotated Clean CCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587271945 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271963 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271964 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271965 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271966 JK Annotated Clean CCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587272009 JK Annotated Clean CCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587272010 JK Annotated Clean CCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587272012 JK Annotated Clean CCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587272014 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(C)C)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272030 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(C)C)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272032 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(C)C)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272035 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(C)C)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272127 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272382 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272384 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272385 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272387 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272411 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272412 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272415 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272417 JK Annotated Clean O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)cc1 ZINC000587272445 JK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272457 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272458 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272459 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272460 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272462 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272463 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272464 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272465 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272485 JK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272486 JK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272487 JK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272488 JK Annotated Mild O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587272511 JK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272534 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272536 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272537 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272538 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272666 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272667 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272668 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272669 JK Annotated Clean O=C(Cl)CCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272687 JK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272921 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272922 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272929 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272937 JK Annotated Clean O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587273211 JK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br ZINC000587273469 JK Annotated Mild CCCCCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273530 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273547 JK Annotated Mild C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587274085 JK Annotated Reactive C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587274088 JK Annotated Reactive CCCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274106 JK Annotated Mild O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 ZINC000587274324 JK Annotated Bother CCCCCCCCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br ZINC000587274344 JK Annotated Mild CC(C)c1cc(C(C)C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C(C)C)c1 ZINC000587274433 JK Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587274435 JK Annotated Reactive CCCCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274497 JK Annotated Mild CCCCCCCCOc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Br ZINC000587274685 JK Annotated Mild Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587274874 JK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(I)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275279 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(I)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275280 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(I)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275281 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(I)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275282 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275341 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275342 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275343 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275344 JK Annotated Clean O=C(Cl)c1ccc(Oc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)cc1 ZINC000587275417 JK Annotated Reactive O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275419 JK Annotated Bother CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275434 JK Annotated Anodyne O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275468 JK Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Sc1ccccc1)c1ccccc1 ZINC000587275533 JK Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000587275536 JK Annotated Anodyne O=C(c1sc2cc(Cl)ccc2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275546 JK Annotated Anodyne O=C(c1ccccc1-c1nc2ccccc2s1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275560 JK Annotated Anodyne O=C(Cl)[C@H](Br)CC[C@@H](Br)C(=O)c1coc2ccc(Cl)cc12 ZINC000587275563 JK Annotated Reactive O=C(Cl)[C@@H](Br)CC[C@@H](Br)C(=O)c1coc2ccc(Cl)cc12 ZINC000587275567 JK Annotated Reactive O=C(Cl)[C@@H](Br)CC[C@H](Br)C(=O)c1coc2ccc(Cl)cc12 ZINC000587275570 JK Annotated Reactive O=C(c1coc2ccc(Cl)cc12)[C@@H](Br)CC[C@@H](Br)C(=O)Cl ZINC000587275572 JK Annotated Reactive O=C(c1c(C(F)(F)F)cnc(Cl)c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275602 JK Annotated Anodyne O=C(c1cc2ccc(Br)cc2s1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275658 JK Annotated Anodyne Cc1ccc(Sc2ncccc2C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587275698 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275725 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275727 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275728 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275730 JK Annotated Clean O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275803 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(I)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275864 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(I)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275865 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(I)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275867 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(I)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275869 JK Annotated Clean COc1ccc2c(Cl)c(C(=O)c3c(CO)oc4cc(Br)cnc34)sc2c1 ZINC000587275879 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275880 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275895 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275898 JK Annotated Clean O=C(c1sc2cccc(OC(F)F)c2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275899 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275900 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275901 JK Annotated Clean O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275915 JK Annotated Bother O=C(Cl)c1ccc(N=Nc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)cc1 ZINC000587275949 JK Annotated Reactive O=C(c1cc(Cl)c(Cl)c(Cl)c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275954 JK Annotated Anodyne O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275965 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276126 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276127 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276129 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276130 JK Annotated Clean O=C(c1cc2c(Br)cccc2s1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276142 JK Annotated Anodyne O=C(c1sc2cccc(Cl)c2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276147 JK Annotated Anodyne O=C(c1ccc(-c2nc3ccccc3s2)s1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276195 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276202 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(Cl)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276235 JK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)o2)cc1 ZINC000587276252 JK Annotated Anodyne O=C(Cl)c1ccc(-c2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)cc1 ZINC000587276253 JK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)[C@@H]1CC=C[C@H]21 ZINC000587276365 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)[C@@H]1CC=C[C@@H]21 ZINC000587276371 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)[C@H]1CC=C[C@@H]21 ZINC000587276373 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)[C@H]1CC=C[C@H]21 ZINC000587276374 JK Annotated Clean O=C(c1c(C(F)(F)F)ccc(Cl)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276408 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276546 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276547 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276548 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276550 JK Annotated Clean O=C(c1ccc(Br)cc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276577 JK Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)C(Cl)(c1ccccc1)c1ccccc1 ZINC000587276700 JK Annotated Anodyne O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276752 JK Annotated Reactive CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276906 JK Annotated Anodyne CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276908 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2Cl)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276928 JK Annotated Anodyne COc1ccc2sc(C(=O)c3c(CO)oc4cc(Br)cnc34)c(Cl)c2c1 ZINC000587276933 JK Annotated Anodyne O=C(c1c(C(F)(F)F)cccc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587277038 JK Annotated Anodyne O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277061 JK Annotated Anodyne O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277075 JK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)o2)c1 ZINC000587277106 JK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277140 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277141 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277142 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277143 JK Annotated Clean CCCCCCCCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587277154 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587277155 JK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277230 JK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277231 JK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277232 JK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277233 JK Annotated Reactive C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277302 JK Annotated Reactive C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277303 JK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587277360 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587277361 JK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277472 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277473 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277474 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277475 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277570 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277571 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277572 JK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277573 JK Annotated Clean COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5cc(C#N)ccc45)cc3n2)cc1 ZINC000587277612 JK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587277638 JK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@@H]54)[nH]c3c2)cc1 ZINC000587277640 JK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587277641 JK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@@H]54)[nH]c3c2)cc1 ZINC000587277642 JK Annotated Clean COc1ccccc1-c1cc(C(F)(F)F)nc(SCCCC(=O)c2coc3cc(C#N)ccc23)n1 ZINC000587277697 JK Annotated Mild COc1ccc(C(=O)c2coc3cc(C#N)ccc23)cc1COc1cccc(Cl)c1Cl ZINC000587277717 JK Annotated Mild N#Cc1ccc2c(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(F)(F)F)n4n3)coc2c1 ZINC000587277739 JK Annotated Mild CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5cc(C#N)ccc45)cc3n2)cc1 ZINC000587277745 JK Annotated Mild Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)c3coc4ccc(Cl)cc34)c2n1 ZINC000587277777 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5ccc(Cl)cc45)cc3n2)cc1 ZINC000587277815 JK Annotated Anodyne O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587277822 JK Annotated Anodyne N#Cc1ccc2c(C(=O)c3cnn4c(C(F)(F)F)cc(-c5cccc6ccccc56)nc34)coc2c1 ZINC000587277958 JK Annotated Mild O=C(c1coc2ccc(Cl)cc12)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12 ZINC000587278072 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc(C#N)ccc45)c3n2)cc1 ZINC000587278259 JK Annotated Mild C[C@H](C(=O)c1coc2cc(C#N)ccc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587278275 JK Annotated Mild C[C@@H](C(=O)c1coc2cc(C#N)ccc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587278276 JK Annotated Mild N#Cc1ccc2c(C(=O)c3nn4c(C(F)(F)F)cc(-c5cccs5)nc4c3Cl)coc2c1 ZINC000587278346 JK Annotated Mild Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)c3coc4ccc(Cl)cc34)cc2n1 ZINC000587278462 JK Annotated Anodyne CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5ccc(Cl)cc45)cc3n2)cc1 ZINC000587278504 JK Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(F)(F)F)n4n3)coc2c1 ZINC000587278602 JK Annotated Mild N#Cc1ccc2c(C(=O)c3cc4nc(-c5ccc6ccccc6c5)cc(C(F)(F)F)n4n3)coc2c1 ZINC000587278621 JK Annotated Mild COc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1COc1cccc(Cl)c1Cl ZINC000587278629 JK Annotated Anodyne COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)c3coc4ccc(Cl)cc34)c2n1 ZINC000587278684 JK Annotated Anodyne O=C(c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587278706 JK Annotated Anodyne CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5ccc(Cl)cc45)c3n2)cc1 ZINC000587278758 JK Annotated Anodyne CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc(C#N)ccc45)c3n2)cc1 ZINC000587278796 JK Annotated Mild CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc(C#N)ccc45)c3n2)s1 ZINC000587278895 JK Annotated Mild Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)c3coc4cc(C#N)ccc34)cc12 ZINC000587278993 JK Annotated Mild O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587279052 JK Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)c1coc2ccc(Cl)cc12 ZINC000587279091 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5ccc(Cl)cc45)c3n2)cc1 ZINC000587279094 JK Annotated Anodyne O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1coc2ccc(Cl)cc12 ZINC000587279127 JK Annotated Anodyne C[C@H](C(=O)c1coc2ccc(Cl)cc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587279142 JK Annotated Anodyne C[C@@H](C(=O)c1coc2ccc(Cl)cc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587279144 JK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5ccc(Cl)cc45)c3n2)s1 ZINC000587279235 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC(=O)c1coc2cc(C#N)ccc12 ZINC000587279645 JK Annotated Mild CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)cc3n2)cc1 ZINC000587279790 JK Annotated Bother O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279817 JK Annotated Bother C[C@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587280036 JK Annotated Bother C[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587280037 JK Annotated Bother O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280080 JK Annotated Bother CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)s1 ZINC000587280111 JK Annotated Bother O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280133 JK Annotated Bother O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280136 JK Annotated Bother O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280143 JK Annotated Bother Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc12 ZINC000587280164 JK Annotated Bother COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)cc3n2)cc1 ZINC000587280240 JK Annotated Bother COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1COc1cccc(Cl)c1Cl ZINC000587280399 JK Annotated Bother COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c2n1 ZINC000587280421 JK Annotated Bother O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280426 JK Annotated Bother COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)cc1 ZINC000587280540 JK Annotated Bother CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)cc1 ZINC000587280545 JK Annotated Bother O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)c1coc2ccccc12 ZINC000587280861 JK Annotated Anodyne COc1ccccc1-c1cc(C(F)(F)F)nc(SCCCC(=O)c2coc3ccccc23)n1 ZINC000587280947 JK Annotated Anodyne O=C(c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1)c1coc2ccccc12 ZINC000587280982 JK Annotated Anodyne O=C(CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2ccccc12 ZINC000587281074 JK Annotated Anodyne O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2ccccc12 ZINC000587281171 JK Annotated Anodyne C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319065 JK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319067 JK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319069 JK Annotated Reactive C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319072 JK Annotated Reactive O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3Br)CC2)[C@H]1c1ccc(F)cc1 ZINC000587319082 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3Br)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587319084 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(Br)c(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587319133 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(Br)c(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587319140 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(Br)c(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587319142 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(Br)c(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587319143 JK Annotated Anodyne COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587319194 JK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587319196 JK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587319197 JK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587319201 JK Annotated Reactive C[C@@]1(c2ncc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319205 JK Annotated Anodyne C[C@]1(c2ncc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319207 JK Annotated Anodyne C[C@]1(c2ncc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319209 JK Annotated Anodyne C[C@@]1(c2ncc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319210 JK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319238 JK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319241 JK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319244 JK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319246 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587319422 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587319429 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587319433 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587319438 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587319439 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587319442 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587319443 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587319444 JK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587319450 JK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587319455 JK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587319460 JK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587319464 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587319495 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587319497 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587319500 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587319502 JK Annotated Reactive C[C@]1(c2cc(Br)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319511 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319512 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319514 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319521 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587319572 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587319577 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587319579 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587319582 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587319595 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587319597 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587319600 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587319602 JK Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587319604 JK Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587319609 JK Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587319610 JK Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587319611 JK Annotated Reactive CC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319612 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319615 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319616 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319618 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319691 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319692 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319694 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319695 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587319702 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587319703 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587319705 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587319706 JK Annotated Reactive C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319718 JK Annotated Bother C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319720 JK Annotated Bother C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319722 JK Annotated Bother C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319724 JK Annotated Bother N#CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319771 JK Annotated Mild N#CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319772 JK Annotated Mild N#CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319774 JK Annotated Mild N#CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319778 JK Annotated Mild CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319780 JK Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319783 JK Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319784 JK Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319787 JK Annotated Reactive C[C@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319809 JK Annotated Anodyne C[C@@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319811 JK Annotated Anodyne C[C@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319812 JK Annotated Anodyne C[C@@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319816 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587319831 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587319833 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587319835 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587319837 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319838 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319841 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319844 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319845 JK Annotated Reactive COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587320059 JK Annotated Reactive COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587320063 JK Annotated Reactive COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587320065 JK Annotated Reactive COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587320066 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320132 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320135 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320137 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320141 JK Annotated Reactive COc1cccc(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320145 JK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320147 JK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320149 JK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320151 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320207 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320208 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320210 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320213 JK Annotated Reactive Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320228 JK Annotated Reactive Nc1cc(Br)ccc1[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320242 JK Annotated Reactive Nc1cc(Br)ccc1[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320246 JK Annotated Reactive Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320247 JK Annotated Reactive COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320248 JK Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320249 JK Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320256 JK Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320257 JK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320267 JK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320270 JK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320275 JK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320279 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 ZINC000587320281 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 ZINC000587320286 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 ZINC000587320289 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 ZINC000587320293 JK Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320296 JK Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320299 JK Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320300 JK Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320302 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320304 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320306 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320309 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320310 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320324 JK Annotated Reactive CC(C)Oc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320330 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320331 JK Annotated Reactive CC(C)Oc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320334 JK Annotated Reactive CCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320349 JK Annotated Reactive CCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320350 JK Annotated Reactive CCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320351 JK Annotated Reactive CCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320353 JK Annotated Reactive Cc1ccc(Br)c2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320411 JK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320419 JK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320420 JK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320423 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320513 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320519 JK Annotated Reactive O=C(O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320522 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320524 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320525 JK Annotated Reactive O=C(O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320526 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320528 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320529 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587320543 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587320545 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587320547 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587320548 JK Annotated Anodyne N#CC1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587320551 JK Annotated Reactive N#CC1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587320554 JK Annotated Reactive N#CC1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587320555 JK Annotated Reactive N#CC1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587320557 JK Annotated Reactive C[C@@]1(c2ncc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320576 JK Annotated Anodyne C[C@]1(c2ncc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320578 JK Annotated Anodyne C[C@]1(c2ncc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320580 JK Annotated Anodyne C[C@@]1(c2ncc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320583 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587320597 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587320600 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587320604 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587320608 JK Annotated Anodyne C[C@]1(c2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320616 JK Annotated Anodyne C[C@@]1(c2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320617 JK Annotated Anodyne C[C@]1(c2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320619 JK Annotated Anodyne C[C@@]1(c2ccc(Cl)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320620 JK Annotated Anodyne Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587320623 JK Annotated Reactive COc1ccc2c(c1Br)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320625 JK Annotated Anodyne Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587320626 JK Annotated Reactive COc1ccc2c(c1Br)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320629 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320630 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320631 JK Annotated Anodyne Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587320635 JK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587320639 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587320643 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587320644 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587320645 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587320646 JK Annotated Reactive CC(C)[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320681 JK Annotated Anodyne CC(C)[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320682 JK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320683 JK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320684 JK Annotated Anodyne CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320685 JK Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320686 JK Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320687 JK Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320688 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587320691 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587320692 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587320693 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587320694 JK Annotated Reactive C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320697 JK Annotated Reactive C[C@H](Br)C1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320698 JK Annotated Reactive C[C@H](Br)C1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320699 JK Annotated Reactive C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320700 JK Annotated Reactive COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587320707 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587320708 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587320709 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587320710 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320713 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320714 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320715 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320716 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](Br)C2 ZINC000587320801 JK Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](Br)C2 ZINC000587320802 JK Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](Br)C2 ZINC000587320804 JK Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](Br)C2 ZINC000587320807 JK Annotated Reactive CC(C)(C)[C@@]1(CCc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320812 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320815 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320817 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320819 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587320855 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587320856 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587320858 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587320859 JK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320873 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320877 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320881 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320883 JK Annotated Reactive Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587320921 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320923 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320926 JK Annotated Anodyne Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587320928 JK Annotated Anodyne Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587320931 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320932 JK Annotated Anodyne Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587320934 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320936 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320937 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320938 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320939 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320941 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320942 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320955 JK Annotated Reactive C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320960 JK Annotated Reactive C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320963 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCNc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320987 JK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320993 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCNc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587320995 JK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320996 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320997 JK Annotated Anodyne COc1c(Br)cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320999 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587321000 JK Annotated Anodyne COc1c(Br)cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321001 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587321003 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587321007 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587321012 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587321021 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587321027 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587321036 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587321039 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587321043 JK Annotated Reactive C[C@]1(c2ccc3ncc(Br)cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321046 JK Annotated Anodyne C[C@@]1(c2ccc3ncc(Br)cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321052 JK Annotated Anodyne C[C@]1(c2ccc3ncc(Br)cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321055 JK Annotated Anodyne C[C@@]1(c2ccc3ncc(Br)cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321058 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587321086 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587321087 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587321088 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587321090 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321092 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321095 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321096 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321098 JK Annotated Anodyne C[C@]1(c2ccc(Br)c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321105 JK Annotated Mild C[C@@]1(c2ccc(Br)c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321106 JK Annotated Mild C[C@@]1(c2ccc(Br)c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321107 JK Annotated Mild C[C@]1(c2ccc(Br)c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321108 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(COc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587321113 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(COc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587321117 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(COc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587321118 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(COc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587321120 JK Annotated Reactive Cc1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587321209 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587321210 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321211 JK Annotated Reactive Cc1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587321212 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587321213 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321215 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321216 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321218 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321222 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321224 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321227 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321228 JK Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321255 JK Annotated Reactive N#CC[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321261 JK Annotated Mild N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321262 JK Annotated Reactive N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321267 JK Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321269 JK Annotated Reactive N#CC[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321270 JK Annotated Mild N#CC[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321273 JK Annotated Mild N#CC[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321275 JK Annotated Mild CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321286 JK Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321288 JK Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321289 JK Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321291 JK Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321292 JK Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321294 JK Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321296 JK Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321297 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321306 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321307 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321308 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321309 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 ZINC000587321324 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 ZINC000587321325 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 ZINC000587321326 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 ZINC000587321327 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCNc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587321329 JK Annotated Anodyne Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587321330 JK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587321331 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCNc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587321332 JK Annotated Anodyne Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587321333 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCNc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587321334 JK Annotated Anodyne Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587321335 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321336 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321337 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321338 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCNc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587321339 JK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321340 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321343 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321345 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321348 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321349 JK Annotated Reactive C[C@H](C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587321372 JK Annotated Anodyne C[C@H](C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587321373 JK Annotated Anodyne C[C@H](C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587321374 JK Annotated Anodyne C[C@H](C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587321375 JK Annotated Anodyne C[C@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321376 JK Annotated Anodyne C[C@@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321377 JK Annotated Anodyne C[C@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321378 JK Annotated Anodyne C[C@@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321379 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321425 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321426 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321427 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321430 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2coc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587321555 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2coc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587321557 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2coc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587321560 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2coc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587321564 JK Annotated Reactive C[C@@]1(c2oc3ccccc3c2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321642 JK Annotated Anodyne C[C@@]1(c2oc3ccccc3c2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321644 JK Annotated Anodyne C[C@]1(c2oc3ccccc3c2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321648 JK Annotated Anodyne CCOc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321650 JK Annotated Reactive CCOc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321651 JK Annotated Reactive CCOc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321652 JK Annotated Reactive C[C@]1(c2oc3ccccc3c2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321653 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321655 JK Annotated Reactive CCOc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321658 JK Annotated Reactive CC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321660 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321661 JK Annotated Reactive CC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321662 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321664 JK Annotated Reactive CC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321665 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321666 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321673 JK Annotated Reactive COc1cc(Br)c2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1 ZINC000587321679 JK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321683 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1 ZINC000587321686 JK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321688 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1 ZINC000587321689 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1 ZINC000587321693 JK Annotated Anodyne CC[C@@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321695 JK Annotated Anodyne CC[C@@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321698 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321730 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321739 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321740 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321742 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)ccc3C2)[C@@H]1c1ccc(F)cc1 ZINC000587321779 JK Annotated Anodyne CCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321782 JK Annotated Reactive CCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321783 JK Annotated Reactive CCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321784 JK Annotated Reactive CCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321785 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)ccc3C2)[C@H]1c1ccc(F)cc1 ZINC000587321790 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)ccc3C2)[C@H]1c1ccc(F)cc1 ZINC000587321792 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)ccc3C2)[C@@H]1c1ccc(F)cc1 ZINC000587321794 JK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321837 JK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321840 JK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321842 JK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321844 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587321866 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587321873 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587321876 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587321879 JK Annotated Anodyne O=C1CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587321999 JK Annotated Reactive O=C1CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587322000 JK Annotated Reactive O=C1CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587322001 JK Annotated Reactive O=C1CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587322002 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322015 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322017 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322020 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322023 JK Annotated Reactive Cc1nc(Cl)c(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322049 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322055 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322056 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322058 JK Annotated Anodyne O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322060 JK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322063 JK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322064 JK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322068 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587322081 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587322082 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587322083 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587322085 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587322093 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587322097 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587322100 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587322102 JK Annotated Reactive C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322105 JK Annotated Bother C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322106 JK Annotated Bother C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322109 JK Annotated Bother C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322110 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322120 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322132 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322135 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322137 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322166 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322170 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 ZINC000587322173 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 ZINC000587322174 JK Annotated Reactive C[C@]1(c2c[nH]c3ncc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322176 JK Annotated Anodyne C[C@]1(c2c[nH]c3ncc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322178 JK Annotated Anodyne C[C@@]1(c2c[nH]c3ncc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322179 JK Annotated Anodyne C[C@@]1(c2c[nH]c3ncc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322180 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587322191 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587322195 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587322197 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587322199 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587322200 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587322206 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587322208 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587322210 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322229 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322231 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322234 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322237 JK Annotated Reactive C[C@]1(CC(=O)Nc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322279 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322280 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322281 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322282 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322386 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCN(c3cccc(Br)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587322387 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322390 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCN(c3cccc(Br)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000587322391 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322392 JK Annotated Reactive C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322394 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCN(c3cccc(Br)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000587322396 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(c3cccc(Br)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587322399 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322412 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322414 JK Annotated Reactive CC(C)(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322418 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322419 JK Annotated Reactive COC(=O)C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322449 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322457 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322458 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322461 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322463 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322468 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322471 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322477 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(c3cc(Br)ccc3NC23CC3)[C@@H]1c1ccc(F)cc1 ZINC000587322479 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Br)ccc3NC23CC3)[C@H]1c1ccc(F)cc1 ZINC000587322483 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Br)ccc3NC23CC3)[C@H]1c1ccc(F)cc1 ZINC000587322485 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Br)ccc3NC23CC3)[C@@H]1c1ccc(F)cc1 ZINC000587322489 JK Annotated Anodyne CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322543 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322545 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322547 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322548 JK Annotated Reactive C[C@]1([C@@H](C#N)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322555 JK Annotated Mild C[C@]1([C@H](C#N)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322558 JK Annotated Mild C[C@]1([C@H](C#N)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322559 JK Annotated Mild C[C@]1([C@@H](C#N)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322561 JK Annotated Mild N#CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322570 JK Annotated Mild CC(C)[C@@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322571 JK Annotated Anodyne CC(C)[C@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322572 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322574 JK Annotated Anodyne N#CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322575 JK Annotated Mild CC(C)[C@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322577 JK Annotated Anodyne N#CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322578 JK Annotated Mild N#CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322584 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322587 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Br)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322588 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322589 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322591 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322592 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 ZINC000587322594 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Br)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322595 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Br)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322596 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Br)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322597 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 ZINC000587322598 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 ZINC000587322600 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 ZINC000587322601 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C=COc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587322612 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322619 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C=COc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587322620 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322621 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C=COc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587322623 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322624 JK Annotated Bother C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322625 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C=COc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587322626 JK Annotated Anodyne C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322641 JK Annotated Bother CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587322642 JK Annotated Reactive C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322643 JK Annotated Bother C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322645 JK Annotated Bother C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322646 JK Annotated Bother CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587322654 JK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587322655 JK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587322656 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)cc1Br ZINC000587322731 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)cc1Br ZINC000587322733 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)cc1Br ZINC000587322735 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)cc1Br ZINC000587322736 JK Annotated Reactive CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587322737 JK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587322738 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587322739 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587322740 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322786 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322788 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322789 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322790 JK Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322792 JK Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322793 JK Annotated Reactive COc1ccc(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322794 JK Annotated Reactive COc1ccc(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322795 JK Annotated Reactive CCC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322809 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322814 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322818 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322819 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322828 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322830 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322832 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322833 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322835 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322836 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322841 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322844 JK Annotated Anodyne N#CC[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322847 JK Annotated Mild N#CC[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322849 JK Annotated Mild N#CC[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322850 JK Annotated Mild N#CC[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322853 JK Annotated Mild Cc1cccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322854 JK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322857 JK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322860 JK Annotated Reactive Cc1cccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322863 JK Annotated Reactive C[C@@H]1Cc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587322876 JK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587322877 JK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587322880 JK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587322881 JK Annotated Anodyne Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587322919 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587322930 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587322937 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587322939 JK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587322942 JK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587322948 JK Annotated Reactive Cc1cc(Br)cc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322950 JK Annotated Anodyne Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587322953 JK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587322954 JK Annotated Reactive Cc1cc(Br)cc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322958 JK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322963 JK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322967 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587322976 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587322978 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587322981 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587322982 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322989 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322990 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322992 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322993 JK Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322996 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322999 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323001 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323002 JK Annotated Reactive COc1ccc(Br)c2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323035 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323036 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323039 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323040 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 ZINC000587323236 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 ZINC000587323238 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 ZINC000587323239 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 ZINC000587323241 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587323246 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587323254 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587323263 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587323267 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587323278 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587323282 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587323285 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323288 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587323289 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323294 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323298 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323300 JK Annotated Reactive CN(C)/C=C\[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323303 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323311 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323316 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323319 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323320 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323323 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323326 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323327 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587323330 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587323334 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587323336 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587323340 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587323357 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323359 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CBr)(CCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587323361 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323363 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](CBr)(CCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587323365 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587323367 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587323368 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587323377 JK Annotated Bother CC(C)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323381 JK Annotated Anodyne CN(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323387 JK Annotated Reactive CN(C)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323389 JK Annotated Reactive CC(C)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323390 JK Annotated Anodyne CN(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323391 JK Annotated Reactive CN(C)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323393 JK Annotated Reactive CC(C)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323397 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323401 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323411 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323412 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323414 JK Annotated Reactive COc1ccc(Br)c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587323443 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587323444 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587323446 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587323447 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323452 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323453 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323454 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323455 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323469 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323470 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323471 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323472 JK Annotated Reactive COC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323485 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323486 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323487 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323488 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323509 JK Annotated Reactive N#Cc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587323510 JK Annotated Reactive N#Cc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587323511 JK Annotated Reactive N#Cc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587323512 JK Annotated Reactive N#Cc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587323513 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323514 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323515 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323516 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323517 JK Annotated Reactive COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1Br ZINC000587323518 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1Br ZINC000587323519 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1Br ZINC000587323520 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1Br ZINC000587323521 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 ZINC000587323522 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 ZINC000587323523 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 ZINC000587323524 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 ZINC000587323525 JK Annotated Reactive C[C@@]1(c2cc(Br)cc3cc[nH]c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323527 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc3cc[nH]c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323528 JK Annotated Anodyne C[C@]1(c2cc(Br)cc3cc[nH]c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323529 JK Annotated Anodyne C[C@]1(c2cc(Br)cc3cc[nH]c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323530 JK Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587323535 JK Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587323536 JK Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587323537 JK Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587323538 JK Annotated Anodyne C=CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323543 JK Annotated Mild C=CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323544 JK Annotated Mild C=CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323546 JK Annotated Mild C=CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323547 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)C=Cc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587323583 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)C=Cc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587323587 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C(=O)C=Cc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587323588 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C(=O)C=Cc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587323589 JK Annotated Mild Cc1cc(Br)c2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323591 JK Annotated Anodyne C[C@]1(c2cc(Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323593 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323594 JK Annotated Anodyne C[C@@]1(c2cc(Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323595 JK Annotated Anodyne C[C@]1(c2cc(Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323596 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323597 JK Annotated Anodyne C[C@@]1(c2cc(Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323598 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323599 JK Annotated Anodyne C[C@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323601 JK Annotated Mild C[C@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323602 JK Annotated Mild C[C@@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323603 JK Annotated Mild C[C@@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323604 JK Annotated Mild C[C@]1(CC(=O)Nc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323627 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323628 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323629 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323630 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323635 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323637 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323640 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323642 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2Cl)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587323652 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2Cl)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587323654 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2Cl)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587323655 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2Cl)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587323656 JK Annotated Anodyne C[C@]1(c2ccnc3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323661 JK Annotated Anodyne C[C@@]1(c2ccnc3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323662 JK Annotated Anodyne C[C@]1(c2ccnc3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323663 JK Annotated Anodyne C[C@@]1(c2ccnc3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323664 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(C(=O)O)(c3cccc(Br)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000587323665 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(C(=O)O)(c3cccc(Br)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587323666 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323689 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323690 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323691 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323692 JK Annotated Reactive COc1cc2c(cc1Br)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323693 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323694 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323695 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323696 JK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587323697 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587323698 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587323699 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587323700 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Br)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323701 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Br)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323702 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Br)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323703 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Br)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323704 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587323705 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587323706 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323707 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323708 JK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323714 JK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323715 JK Annotated Anodyne CC(C)(Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323716 JK Annotated Anodyne CC(C)(Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323717 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323718 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323719 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323720 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323721 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323735 JK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323736 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323737 JK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323738 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cnn(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323759 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnn(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323760 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cnn(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587323761 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnn(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587323762 JK Annotated Reactive CCCC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323763 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323764 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323765 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323766 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323767 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323768 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323769 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323770 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccccc3)no2)[C@@H]1c1ccc(F)cc1 ZINC000587323782 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccccc3)no2)[C@@H]1c1ccc(F)cc1 ZINC000587323784 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccccc3)no2)[C@H]1c1ccc(F)cc1 ZINC000587323787 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccccc3)no2)[C@H]1c1ccc(F)cc1 ZINC000587323788 JK Annotated Reactive C[C@]1(c2ccc(Br)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323814 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323815 JK Annotated Anodyne C[C@]1(c2ccc(Br)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323817 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323819 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323821 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323822 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323824 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323826 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587323828 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587323830 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587323832 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587323835 JK Annotated Reactive CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323837 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323838 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323839 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323840 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3cccc(Br)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000587323845 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3cccc(Br)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587323846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCNc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323851 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCNc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323852 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCNc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323853 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCNc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323854 JK Annotated Anodyne CC[C@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323859 JK Annotated Anodyne CC[C@@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323860 JK Annotated Anodyne CC[C@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323861 JK Annotated Anodyne CC[C@@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323862 JK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587323863 JK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587323864 JK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587323865 JK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587323866 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323867 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323868 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323869 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323870 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587323871 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587323872 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587323873 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587323874 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCCc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323887 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323888 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCCc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323889 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323890 JK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323895 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323896 JK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323897 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323898 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323903 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323904 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323905 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323906 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323907 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323908 JK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323909 JK Annotated Bother C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323910 JK Annotated Bother C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323911 JK Annotated Bother C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323912 JK Annotated Bother C[C@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323913 JK Annotated Reactive C[C@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323914 JK Annotated Reactive C[C@@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323915 JK Annotated Reactive C[C@@]1(c2ccc(CCBr)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323916 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ncc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323931 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ncc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323932 JK Annotated Reactive COc1ccc2c(c1Br)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323933 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323934 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ncc(Cl)cc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323938 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ncc(Cl)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323940 JK Annotated Reactive COc1ccc2c(c1Br)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323947 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323949 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323950 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323951 JK Annotated Anodyne C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587323953 JK Annotated Anodyne C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587323956 JK Annotated Anodyne C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587323958 JK Annotated Anodyne C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587323959 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587323966 JK Annotated Reactive CC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323972 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323973 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323974 JK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323975 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587323976 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587323978 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587323979 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(Br)CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587323984 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(Br)CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587323985 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(Br)CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587323987 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(Br)CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587323988 JK Annotated Anodyne CC(C)(c1ccccc1)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323992 JK Annotated Reactive CC(C)(c1ccccc1)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323995 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H]2Cc2cc(Br)ccc2C3)[C@@H]1c1ccc(F)cc1 ZINC000587323997 JK Annotated Anodyne CC(C)(c1ccccc1)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323998 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2([C@H]3CC[C@H]2Cc2cc(Br)ccc2C3)[C@H]1c1ccc(F)cc1 ZINC000587323999 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H]2Cc2cc(Br)ccc2C3)[C@H]1c1ccc(F)cc1 ZINC000587324000 JK Annotated Anodyne CC(C)(c1ccccc1)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324001 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2([C@H]3CC[C@H]2Cc2cc(Br)ccc2C3)[C@@H]1c1ccc(F)cc1 ZINC000587324003 JK Annotated Anodyne CN(C)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324004 JK Annotated Anodyne CN(C)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324008 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324009 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324010 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587324011 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587324012 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324013 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324014 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324015 JK Annotated Anodyne CN(C)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324016 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324017 JK Annotated Anodyne CN(C)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324018 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587324019 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587324021 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587324023 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587324024 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587324029 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587324033 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587324034 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587324036 JK Annotated Reactive C[C@]1(c2cc(Br)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324037 JK Annotated Anodyne C[C@@]1(c2cc(Br)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324039 JK Annotated Anodyne C[C@@]1(c2cc(Br)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324042 JK Annotated Anodyne C[C@]1(c2cc(Br)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324044 JK Annotated Anodyne CC(C)(C)[C@@]1(c2cc(Br)ccc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324045 JK Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324046 JK Annotated Anodyne CC(C)(C)[C@]1(c2cc(Br)ccc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324047 JK Annotated Anodyne CC(C)(C)[C@@]1(c2cc(Br)ccc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324048 JK Annotated Anodyne CC(C)(C)[C@]1(c2cc(Br)ccc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324049 JK Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324051 JK Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324052 JK Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324053 JK Annotated Anodyne C[C@@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324103 JK Annotated Anodyne C[C@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324104 JK Annotated Anodyne C[C@@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324105 JK Annotated Anodyne C[C@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324106 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324117 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324118 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324119 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324120 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587324121 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587324122 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587324123 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587324124 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587324137 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587324138 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587324139 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587324140 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324141 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324142 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324143 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324144 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324153 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324154 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324155 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324156 JK Annotated Reactive CC(C)(Br)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324186 JK Annotated Reactive CC(C)(Br)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324188 JK Annotated Reactive CC(C)(Br)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324189 JK Annotated Reactive CC(C)(Br)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324190 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000587324192 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000587324196 JK Annotated Anodyne C[C@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324197 JK Annotated Reactive C[C@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324198 JK Annotated Reactive C[C@@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324199 JK Annotated Reactive C[C@@]1(c2ccccc2OCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324200 JK Annotated Reactive COc1ccc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324201 JK Annotated Anodyne COc1ccc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324202 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000587324203 JK Annotated Anodyne COc1ccc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324204 JK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324205 JK Annotated Anodyne CCOC(=O)c1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324206 JK Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324207 JK Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324208 JK Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324209 JK Annotated Reactive COc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324210 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000587324211 JK Annotated Anodyne COc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324212 JK Annotated Reactive COc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324213 JK Annotated Reactive COc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324214 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Br)(C4)C3)[C@H]1c1ccc(F)cc1 ZINC000587324215 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Br)(C4)C3)[C@@H]1c1ccc(F)cc1 ZINC000587324216 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Br)(C4)C3)[C@H]1c1ccc(F)cc1 ZINC000587324218 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Br)(C4)C3)[C@@H]1c1ccc(F)cc1 ZINC000587324220 JK Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)cc(Br)c21 ZINC000587324227 JK Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)cc(Br)c21 ZINC000587324228 JK Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)cc(Br)c21 ZINC000587324229 JK Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)cc(Br)c21 ZINC000587324230 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1 ZINC000587324231 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1 ZINC000587324232 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cncnc2)[C@H]1c1ccc(F)cc1 ZINC000587324233 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cncnc2)[C@H]1c1ccc(F)cc1 ZINC000587324234 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324239 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324240 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324241 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324242 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587324243 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587324244 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587324245 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587324246 JK Annotated Anodyne N#CC[C@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324251 JK Annotated Mild N#CC[C@@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324252 JK Annotated Mild N#CC[C@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324253 JK Annotated Mild N#CC[C@@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324254 JK Annotated Mild C[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324261 JK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324264 JK Annotated Anodyne N#CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324265 JK Annotated Mild C[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324266 JK Annotated Anodyne N#CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324267 JK Annotated Mild N#CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324268 JK Annotated Mild N#CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324269 JK Annotated Mild C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324270 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324289 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324291 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587324293 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587324295 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324297 JK Annotated Reactive O=C(O)CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324298 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324299 JK Annotated Reactive O=C(O)CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324300 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324301 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324302 JK Annotated Reactive O=C(O)CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324303 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324305 JK Annotated Anodyne Nc1ccc2c(c1Br)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324314 JK Annotated Anodyne Nc1ccc2c(c1Br)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324315 JK Annotated Anodyne Nc1ccc2c(c1Br)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324317 JK Annotated Anodyne Nc1ccc2c(c1Br)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324320 JK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324321 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324323 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324328 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324329 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324351 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324352 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587324353 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324354 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587324355 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324356 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324357 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324358 JK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324364 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324365 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324366 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324367 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324374 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324376 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324378 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324379 JK Annotated Reactive CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324380 JK Annotated Reactive CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324381 JK Annotated Reactive CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324382 JK Annotated Reactive CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324383 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587324385 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587324386 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587324387 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587324388 JK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587324441 JK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587324444 JK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587324445 JK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587324446 JK Annotated Reactive C[C@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324447 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324448 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324449 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324451 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324460 JK Annotated Bother C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324461 JK Annotated Bother C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324464 JK Annotated Bother C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324465 JK Annotated Bother COc1ccc(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324480 JK Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324482 JK Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324483 JK Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324485 JK Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324487 JK Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324489 JK Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324490 JK Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324492 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324494 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587324496 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)c(Br)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587324497 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)c(Br)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324498 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587324517 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587324518 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 ZINC000587324519 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 ZINC000587324520 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccnc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324521 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccnc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587324522 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccnc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587324523 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccnc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324524 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587324546 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587324547 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587324548 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587324549 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)cn2)[C@H]1c1ccc(F)cc1 ZINC000587324554 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)cn2)[C@@H]1c1ccc(F)cc1 ZINC000587324555 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)cn2)[C@H]1c1ccc(F)cc1 ZINC000587324556 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)cn2)[C@@H]1c1ccc(F)cc1 ZINC000587324557 JK Annotated Anodyne CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587324578 JK Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587324579 JK Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587324580 JK Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587324581 JK Annotated Reactive CC1(C)Cc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324582 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324583 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324584 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324585 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCCc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324586 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324587 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCCc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324588 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324589 JK Annotated Anodyne C[C@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324590 JK Annotated Anodyne C[C@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324591 JK Annotated Anodyne C[C@@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324592 JK Annotated Anodyne C[C@@]1(c2cc3cc(Br)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324593 JK Annotated Anodyne O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324614 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324615 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324616 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324617 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324620 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324621 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324622 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324623 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324624 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324625 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324626 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324627 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587324632 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587324633 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587324634 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587324635 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324640 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324641 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324642 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324643 JK Annotated Anodyne O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324652 JK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324653 JK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324654 JK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324655 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324660 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587324661 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587324662 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324663 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324664 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324665 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324666 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324667 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324672 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324673 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324674 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324675 JK Annotated Anodyne C[C@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324676 JK Annotated Anodyne C[C@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324677 JK Annotated Anodyne C[C@@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324678 JK Annotated Anodyne C[C@@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324679 JK Annotated Anodyne C[C@]1(c2cc3c(cc2Br)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324680 JK Annotated Anodyne C[C@]1(c2cc3c(cc2Br)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324681 JK Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324682 JK Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324683 JK Annotated Anodyne COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587324684 JK Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587324685 JK Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587324686 JK Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587324687 JK Annotated Reactive C[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324696 JK Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324697 JK Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324698 JK Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324699 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(Br)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324724 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(Br)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587324725 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587324730 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587324731 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587324732 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587324733 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324734 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324735 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324736 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324737 JK Annotated Anodyne COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324742 JK Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324743 JK Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324744 JK Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324745 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCOc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324746 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587324747 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587324748 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324749 JK Annotated Anodyne CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587324776 JK Annotated Anodyne CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587324777 JK Annotated Anodyne CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587324778 JK Annotated Anodyne CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587324779 JK Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324804 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324805 JK Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324806 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324807 JK Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324808 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324809 JK Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587324810 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324814 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324828 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587324831 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587324834 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324835 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CC2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324836 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CC2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324837 JK Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324838 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CC2CC2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324839 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CC2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324840 JK Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324841 JK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324843 JK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324844 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587324846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587324848 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587324852 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587324853 JK Annotated Anodyne Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324857 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324860 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324862 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324863 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324871 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587324873 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324876 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587324878 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324880 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324882 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324883 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324884 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324895 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324898 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324900 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324902 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCNc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324904 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324906 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324907 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCNc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324908 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324940 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324942 JK Annotated Reactive CC(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324943 JK Annotated Reactive CC(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324944 JK Annotated Reactive CCc1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O ZINC000587324945 JK Annotated Reactive CCc1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O ZINC000587324947 JK Annotated Reactive CCc1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O ZINC000587324949 JK Annotated Reactive CCc1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c(C)c1C(C)=O ZINC000587324951 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324965 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324967 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587324969 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587324971 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587324998 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587324999 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587325000 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587325001 JK Annotated Reactive C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325002 JK Annotated Bother C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325005 JK Annotated Bother C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325006 JK Annotated Bother Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587325007 JK Annotated Reactive C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325008 JK Annotated Bother Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587325010 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587325011 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587325014 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587325039 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587325042 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587325046 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587325047 JK Annotated Reactive C[C@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325048 JK Annotated Anodyne O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325049 JK Annotated Reactive O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325050 JK Annotated Reactive O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325051 JK Annotated Reactive C[C@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325052 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325053 JK Annotated Anodyne O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325054 JK Annotated Reactive C[C@@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325055 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325092 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325093 JK Annotated Reactive C[C@]1(CC(=O)Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325094 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325095 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325096 JK Annotated Reactive C[C@@]1(CC(=O)Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325097 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325098 JK Annotated Reactive C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325100 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325121 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325122 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325124 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325125 JK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325127 JK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325129 JK Annotated Reactive C[C@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325130 JK Annotated Anodyne Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325131 JK Annotated Reactive C[C@@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325132 JK Annotated Anodyne Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325133 JK Annotated Reactive C[C@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325134 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325136 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587325138 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587325145 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325146 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587325147 JK Annotated Anodyne C[C@]1(c2ccc(Br)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325148 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587325149 JK Annotated Anodyne C[C@]1(c2ccc(Br)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325150 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325152 JK Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325153 JK Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325154 JK Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325155 JK Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325158 JK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325160 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325162 JK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325163 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325164 JK Annotated Anodyne C[C@]1([C@@H](C#N)c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325184 JK Annotated Mild C[C@]1([C@H](C#N)c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325185 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CCl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325212 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CCl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325213 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CCl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325214 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CCl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325215 JK Annotated Reactive O=C(O)CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325216 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325217 JK Annotated Anodyne C[C@]1([C@H](C#N)c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325218 JK Annotated Mild O=C(O)CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325219 JK Annotated Anodyne C[C@]1([C@@H](C#N)c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325220 JK Annotated Mild O=C(O)CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325222 JK Annotated Anodyne Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325225 JK Annotated Bother Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325226 JK Annotated Bother Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325228 JK Annotated Bother Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325229 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Cl)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325230 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Cl)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325233 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Cl)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325235 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Cl)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325237 JK Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325238 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325239 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325244 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325245 JK Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325247 JK Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325248 JK Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325250 JK Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325251 JK Annotated Reactive O=C1c2ccc(O)cc2OC2(CCC(c3ccc(Br)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587325262 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(c3ccc(Br)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587325267 JK Annotated Anodyne CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325268 JK Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325269 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325270 JK Annotated Anodyne CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325271 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325272 JK Annotated Anodyne CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325273 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325274 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325276 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325278 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325280 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325283 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325287 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325288 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 ZINC000587325289 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325290 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 ZINC000587325291 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 ZINC000587325292 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325293 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccon1 ZINC000587325294 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325295 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587325311 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587325312 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587325313 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(Cl)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587325314 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587325364 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587325365 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587325366 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587325367 JK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587325372 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587325373 JK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587325374 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587325375 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325376 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325377 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325378 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325379 JK Annotated Anodyne CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325380 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325381 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325382 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325383 JK Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325388 JK Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325389 JK Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325390 JK Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325391 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325400 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325401 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325402 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325403 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325408 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325409 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325410 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325411 JK Annotated Reactive Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325412 JK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325413 JK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325414 JK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325415 JK Annotated Anodyne COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325420 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325421 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325422 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325423 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325428 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325429 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325430 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325431 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587325448 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587325449 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587325450 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000587325451 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@H]1c1ccc(F)cc1 ZINC000587325464 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@@H]1c1ccc(F)cc1 ZINC000587325465 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@@H]1c1ccc(F)cc1 ZINC000587325466 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)[C@H]1c1ccc(F)cc1 ZINC000587325467 JK Annotated Reactive C[C@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325484 JK Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325485 JK Annotated Anodyne C[C@]1(c2c[nH]c3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325492 JK Annotated Anodyne C[C@]1(c2c[nH]c3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325493 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325494 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cc(Br)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325495 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325500 JK Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325501 JK Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325502 JK Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325503 JK Annotated Reactive CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325512 JK Annotated Anodyne CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325514 JK Annotated Anodyne CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325515 JK Annotated Anodyne CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325517 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325519 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325520 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325521 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325525 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3ccc(Br)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587325526 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3ccc(Br)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587325527 JK Annotated Anodyne C[C@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325545 JK Annotated Anodyne C[C@@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325546 JK Annotated Anodyne C[C@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325547 JK Annotated Anodyne C[C@@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325551 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C ZINC000587325556 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C ZINC000587325558 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C ZINC000587325559 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C ZINC000587325561 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325569 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325570 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325571 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325572 JK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325574 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325575 JK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325576 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325577 JK Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325589 JK Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325593 JK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587325594 JK Annotated Anodyne CC(C)c1ccc(OC[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325595 JK Annotated Reactive COc1cc(Br)cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587325597 JK Annotated Anodyne CC(C)c1ccc(OC[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325600 JK Annotated Reactive COc1cc(Br)cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587325601 JK Annotated Anodyne CC(C)c1ccc(OC[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325602 JK Annotated Reactive CC(C)c1ccc(OC[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325603 JK Annotated Reactive COc1cc(Br)cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587325604 JK Annotated Anodyne C[C@@]1(c2c[nH]c3c(Br)cccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325606 JK Annotated Anodyne C[C@]1([C@H](C#N)c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325607 JK Annotated Mild C[C@@]1(c2c[nH]c3c(Br)cccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325608 JK Annotated Anodyne C[C@]1([C@H](C#N)c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325609 JK Annotated Mild C[C@]1([C@@H](C#N)c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325610 JK Annotated Mild C[C@]1(c2c[nH]c3c(Br)cccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325612 JK Annotated Anodyne C[C@]1([C@@H](C#N)c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325613 JK Annotated Mild C[C@]1(c2c[nH]c3c(Br)cccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325616 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325649 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325651 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325653 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325654 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000587325660 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000587325661 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000587325662 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000587325663 JK Annotated Reactive O=C(O)CC[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325692 JK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325693 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325694 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325696 JK Annotated Anodyne O=C1CCCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587325734 JK Annotated Reactive O=C1CCCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587325735 JK Annotated Reactive O=C1CCCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587325736 JK Annotated Reactive O=C1CCCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587325738 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325749 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587325750 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325751 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587325752 JK Annotated Reactive CCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325753 JK Annotated Reactive CCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325754 JK Annotated Reactive CCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325755 JK Annotated Reactive CCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325756 JK Annotated Reactive CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587325757 JK Annotated Reactive CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587325758 JK Annotated Reactive CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587325759 JK Annotated Reactive CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587325760 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C ZINC000587325761 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C ZINC000587325762 JK Annotated Reactive C[C@]1(c2cc(Br)cc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325772 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325773 JK Annotated Anodyne C[C@]1(c2cc(Br)cc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325774 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325775 JK Annotated Anodyne O=C(Cl)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325776 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325777 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325781 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325783 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2Br ZINC000587325784 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587325788 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587325790 JK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2Br ZINC000587325793 JK Annotated Reactive CCCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325797 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325798 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325799 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325801 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325812 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325813 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325814 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325815 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325824 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325825 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325826 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325827 JK Annotated Anodyne CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325836 JK Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325837 JK Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325838 JK Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325839 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)([C@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000587325840 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)([C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000587325841 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)([C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000587325842 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)([C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000587325843 JK Annotated Anodyne C[C@@]1(c2cc3cccc(Br)c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325844 JK Annotated Anodyne C[C@@]1(c2cc3cccc(Br)c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325845 JK Annotated Anodyne C[C@]1(c2cc3cccc(Br)c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325846 JK Annotated Anodyne C[C@]1(c2cc3cccc(Br)c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325847 JK Annotated Anodyne COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C ZINC000587325852 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C2CC2)c1C ZINC000587325853 JK Annotated Reactive Cc1cccc(Cl)c1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325854 JK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325855 JK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325856 JK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325857 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325858 JK Annotated Reactive C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325859 JK Annotated Reactive C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325860 JK Annotated Reactive C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325861 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325870 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325871 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325872 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325873 JK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C ZINC000587325874 JK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C ZINC000587325875 JK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C ZINC000587325876 JK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C ZINC000587325877 JK Annotated Reactive CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325894 JK Annotated Reactive CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325895 JK Annotated Reactive CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325896 JK Annotated Reactive CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325897 JK Annotated Reactive CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325898 JK Annotated Bother CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325899 JK Annotated Bother CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325900 JK Annotated Bother CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325901 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325920 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325921 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325922 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325923 JK Annotated Reactive CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325924 JK Annotated Reactive CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325925 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325930 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325931 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325932 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325933 JK Annotated Reactive COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl ZINC000587325958 JK Annotated Reactive COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl ZINC000587325959 JK Annotated Reactive COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl ZINC000587325960 JK Annotated Reactive COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl ZINC000587325961 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325966 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325967 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325968 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325969 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325974 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325975 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325976 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325977 JK Annotated Reactive C[C@@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325998 JK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325999 JK Annotated Anodyne C[C@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326000 JK Annotated Anodyne C[C@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326002 JK Annotated Anodyne N#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326007 JK Annotated Mild N#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326008 JK Annotated Mild CCOC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(CC)c1C ZINC000587326010 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(CC)c1C ZINC000587326011 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(CC)c1C ZINC000587326012 JK Annotated Reactive CCOC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(CC)c1C ZINC000587326013 JK Annotated Reactive CN(C)/C=C\[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326014 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326015 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326016 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326017 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326029 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326032 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326034 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326036 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326059 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326061 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326063 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326064 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326108 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326109 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326110 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326111 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326127 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326129 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587326131 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587326134 JK Annotated Reactive COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCC(F)F ZINC000587326136 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587326137 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326138 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCC(F)F ZINC000587326139 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCC(F)F ZINC000587326141 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCC(F)F ZINC000587326142 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587326147 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587326148 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587326149 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587326150 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587326165 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587326166 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326168 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326170 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326172 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326174 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326175 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326177 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326189 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326191 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326192 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326194 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326196 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326198 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326199 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326200 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326216 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326218 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326220 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326223 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326236 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326237 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326238 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326239 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326240 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326241 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326242 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326243 JK Annotated Anodyne N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326252 JK Annotated Reactive N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326253 JK Annotated Reactive N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326254 JK Annotated Reactive N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326255 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587326284 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587326285 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 ZINC000587326286 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCCO3)[C@H]1c1ccc(F)cc1 ZINC000587326287 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587326296 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587326297 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587326298 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587326299 JK Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587326300 JK Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587326301 JK Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587326302 JK Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587326303 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326320 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326321 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326322 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326323 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326332 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326333 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326334 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326335 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326338 JK Annotated Mild C[C@@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326339 JK Annotated Mild C[C@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326340 JK Annotated Mild C[C@@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326341 JK Annotated Mild Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)no1 ZINC000587326342 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)no1 ZINC000587326343 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)no1 ZINC000587326344 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)no1 ZINC000587326345 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587326362 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587326363 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587326364 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587326365 JK Annotated Reactive C[C@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326374 JK Annotated Anodyne C[C@@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326375 JK Annotated Anodyne C[C@@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326376 JK Annotated Anodyne C[C@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326377 JK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326382 JK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326383 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326384 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326385 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326398 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326399 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326400 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326401 JK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(C(F)(F)F)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326414 JK Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(C(F)(F)F)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326417 JK Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(C(F)(F)F)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326420 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326421 JK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(C(F)(F)F)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326422 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326423 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326425 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326426 JK Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326434 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326436 JK Annotated Reactive O=C1c2ccc(O)cc2OC(c2cccc(Cl)c2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326439 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2cccc(Cl)c2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326441 JK Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326443 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326444 JK Annotated Reactive Nc1ccc(Cl)cc1[C@@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326458 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326459 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326462 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326464 JK Annotated Anodyne CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326490 JK Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326493 JK Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326496 JK Annotated Reactive CC(=O)N(C)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326499 JK Annotated Reactive C[C@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326501 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326505 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326506 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326509 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326511 JK Annotated Anodyne COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C ZINC000587326513 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C ZINC000587326516 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C ZINC000587326518 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n(C(C)C)c1C ZINC000587326520 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587326522 JK Annotated Reactive CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326523 JK Annotated Anodyne Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587326524 JK Annotated Reactive CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326525 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326527 JK Annotated Anodyne Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587326528 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587326531 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587326536 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587326539 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587326542 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587326545 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326564 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326567 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326569 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326571 JK Annotated Anodyne C[C@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326589 JK Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326591 JK Annotated Bother C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326592 JK Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326594 JK Annotated Bother C[C@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326596 JK Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326597 JK Annotated Bother C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326598 JK Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326599 JK Annotated Bother COc1cc(Cl)ccc1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326608 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326610 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326611 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326614 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587326623 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587326625 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587326627 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587326628 JK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326629 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326631 JK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326633 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326634 JK Annotated Anodyne CN(C)/C=C(/c1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326650 JK Annotated Anodyne CN(C)/C=C(/c1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326652 JK Annotated Anodyne CN(C)/C=C(\c1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326655 JK Annotated Anodyne CN(C)/C=C(\c1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326656 JK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326658 JK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326665 JK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326666 JK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326667 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326678 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326679 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326680 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326681 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2nnc(-c3ccccc3)o2)[C@H]1c1ccc(F)cc1 ZINC000587326691 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2nnc(-c3ccccc3)o2)[C@@H]1c1ccc(F)cc1 ZINC000587326695 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2nnc(-c3ccccc3)o2)[C@H]1c1ccc(F)cc1 ZINC000587326698 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2nnc(-c3ccccc3)o2)[C@@H]1c1ccc(F)cc1 ZINC000587326700 JK Annotated Reactive O=C(O)CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326703 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326704 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326705 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326706 JK Annotated Anodyne CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C[C@H]1C ZINC000587326710 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587326711 JK Annotated Anodyne CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C[C@@H]1C ZINC000587326712 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326713 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587326714 JK Annotated Anodyne CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C[C@H]1C ZINC000587326715 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326716 JK Annotated Anodyne CC(=O)N1c2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C[C@@H]1C ZINC000587326717 JK Annotated Reactive CCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326718 JK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326720 JK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326722 JK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326726 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326737 JK Annotated Anodyne Cn1cc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587326738 JK Annotated Anodyne Cn1cc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587326740 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326743 JK Annotated Anodyne Cn1cc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587326744 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326746 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326748 JK Annotated Anodyne Cn1cc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587326750 JK Annotated Anodyne COc1ccc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587326763 JK Annotated Reactive COc1ccc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587326766 JK Annotated Reactive COc1ccc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587326768 JK Annotated Reactive COc1ccc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587326770 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587326796 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587326802 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587326804 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587326807 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326817 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326819 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326822 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326825 JK Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587326841 JK Annotated Reactive CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587326844 JK Annotated Reactive CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587326846 JK Annotated Reactive CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587326849 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326859 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326862 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326863 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326864 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326865 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326866 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326867 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326869 JK Annotated Reactive O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587326870 JK Annotated Anodyne O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587326875 JK Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587326877 JK Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587326880 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccccc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326890 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccccc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587326891 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587326935 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587326936 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587326937 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587326940 JK Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326943 JK Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326945 JK Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326947 JK Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326949 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326951 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326954 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326956 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326958 JK Annotated Anodyne N#Cc1cccc(C[C@@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587326972 JK Annotated Mild N#Cc1cccc(C[C@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587326973 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326978 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326979 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326980 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326981 JK Annotated Anodyne Cc1cc(OCCC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327002 JK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327003 JK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327004 JK Annotated Anodyne Cc1cc(OCCC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327005 JK Annotated Anodyne C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327018 JK Annotated Reactive C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327019 JK Annotated Reactive C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327020 JK Annotated Reactive C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327021 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327026 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327027 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327028 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327030 JK Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587327032 JK Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587327036 JK Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587327037 JK Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587327039 JK Annotated Reactive C[C@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327044 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327047 JK Annotated Anodyne C[C@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327049 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327052 JK Annotated Anodyne C[C@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327062 JK Annotated Anodyne C[C@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327065 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327067 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327069 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327090 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327093 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327095 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327096 JK Annotated Anodyne C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327097 JK Annotated Bother C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327100 JK Annotated Bother C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327101 JK Annotated Bother C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327102 JK Annotated Bother C[C@]1(c2ccc(SCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327107 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327111 JK Annotated Anodyne N#Cc1cccc(C[C@@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327112 JK Annotated Mild C[C@@]1(c2ccc(SCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327113 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327114 JK Annotated Anodyne N#Cc1cccc(C[C@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327115 JK Annotated Mild C[C@@]1(c2ccc(SCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327116 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327117 JK Annotated Anodyne C[C@]1(c2ccc(SCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327119 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327122 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327157 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327158 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327160 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327162 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327177 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327178 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327179 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327180 JK Annotated Anodyne N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327234 JK Annotated Reactive CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587327235 JK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587327236 JK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587327237 JK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587327238 JK Annotated Anodyne N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327239 JK Annotated Reactive N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327240 JK Annotated Reactive N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327242 JK Annotated Reactive Cc1nc2ccccc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327266 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327267 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327268 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327269 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327270 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327271 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327272 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327273 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327274 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327275 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327276 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327277 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327286 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327287 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327288 JK Annotated Reactive CC(C)(C)c1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327289 JK Annotated Reactive Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327290 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327291 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327292 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327293 JK Annotated Anodyne COc1ccc2[nH]c(C)c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587327298 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587327299 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587327300 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587327301 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587327346 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587327347 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587327348 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587327349 JK Annotated Reactive COc1ccc2c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587327354 JK Annotated Reactive COc1ccc2c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587327355 JK Annotated Reactive COc1ccc2c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587327356 JK Annotated Reactive COc1ccc2c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587327357 JK Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327358 JK Annotated Reactive COCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327359 JK Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327360 JK Annotated Reactive COCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327361 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327366 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327367 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327368 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327369 JK Annotated Reactive C[C@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327380 JK Annotated Anodyne C[C@@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327381 JK Annotated Anodyne C[C@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327382 JK Annotated Anodyne C[C@@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327383 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587327392 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587327393 JK Annotated Anodyne C[C@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327398 JK Annotated Anodyne C[C@@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327399 JK Annotated Anodyne C[C@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327400 JK Annotated Anodyne C[C@@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327401 JK Annotated Anodyne C[C@@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327406 JK Annotated Anodyne C[C@@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327407 JK Annotated Anodyne C[C@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327408 JK Annotated Anodyne C[C@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327409 JK Annotated Anodyne C[C@@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327430 JK Annotated Anodyne C[C@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327431 JK Annotated Anodyne C[C@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327433 JK Annotated Anodyne C[C@@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327435 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327437 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327438 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327439 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327440 JK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327442 JK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327444 JK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327446 JK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327448 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2OCCCO2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327471 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2OCCCO2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327477 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2OCCCO2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327483 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2OCCCO2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327485 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327502 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327506 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327507 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327508 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327510 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327512 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327513 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327515 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327535 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327539 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327542 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327547 JK Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000587327549 JK Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000587327550 JK Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000587327551 JK Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000587327552 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Cl)ccc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587327560 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Cl)ccc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587327566 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Cl)ccc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587327567 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Cl)ccc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587327569 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327581 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327585 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327587 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327588 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327590 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327592 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327594 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327595 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587327597 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587327600 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587327603 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587327606 JK Annotated Anodyne COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327616 JK Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327619 JK Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327621 JK Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327622 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587327624 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587327626 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587327627 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587327629 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327631 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327638 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327640 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327642 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327645 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327646 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327650 JK Annotated Reactive C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327651 JK Annotated Reactive C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327652 JK Annotated Reactive C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327653 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327666 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327667 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327668 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327669 JK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327678 JK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327679 JK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327680 JK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327682 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1Cl ZINC000587327711 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1Cl ZINC000587327714 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1Cl ZINC000587327716 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1Cl ZINC000587327718 JK Annotated Anodyne Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327725 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327727 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327728 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327730 JK Annotated Reactive COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327738 JK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327742 JK Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327744 JK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327746 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327762 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327763 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327765 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327767 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)[C@H]1c1ccc(F)cc1 ZINC000587327797 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)[C@@H]1c1ccc(F)cc1 ZINC000587327799 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)[C@H]1c1ccc(F)cc1 ZINC000587327801 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)[C@@H]1c1ccc(F)cc1 ZINC000587327802 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327806 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327808 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2Cl)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587327861 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2Cl)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587327867 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2Cl)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587327872 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2Cl)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587327875 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587327901 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2ccc(Cl)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587327902 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587327903 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2ccc(Cl)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587327905 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587327920 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587327921 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587327922 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 ZINC000587327923 JK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587327964 JK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587327965 JK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587327966 JK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587327967 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587327982 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587327984 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587327985 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587327987 JK Annotated Reactive Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(Cl)c1 ZINC000587328015 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(Cl)c1 ZINC000587328017 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(Cl)c1 ZINC000587328018 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(Cl)c1 ZINC000587328021 JK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328029 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328031 JK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328032 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328034 JK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328035 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328037 JK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328038 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328039 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cc1Cl ZINC000587328061 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cc1Cl ZINC000587328064 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cc1Cl ZINC000587328066 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cc1Cl ZINC000587328068 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328069 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328072 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328076 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328078 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(Cc2ccccc2F)(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328080 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(Cc2ccccc2F)(Cc2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328083 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 ZINC000587328111 JK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 ZINC000587328115 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 ZINC000587328118 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CCl)cc21 ZINC000587328120 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328151 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328153 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328154 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328155 JK Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328157 JK Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328160 JK Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328162 JK Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328163 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587328187 JK Annotated Reactive C[C@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328188 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587328189 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587328190 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587328192 JK Annotated Reactive C[C@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328195 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328197 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328200 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328204 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328212 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328217 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328218 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328220 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328222 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328224 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328225 JK Annotated Anodyne N#CC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328226 JK Annotated Mild COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328227 JK Annotated Anodyne N#CC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328228 JK Annotated Mild COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328230 JK Annotated Anodyne N#CC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328231 JK Annotated Mild COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328232 JK Annotated Anodyne N#CC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328233 JK Annotated Mild COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328234 JK Annotated Anodyne CCN1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2F)CC1 ZINC000587328245 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587328248 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328249 JK Annotated Anodyne CCN1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2F)CC1 ZINC000587328250 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587328252 JK Annotated Anodyne CCN1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2F)CC1 ZINC000587328253 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328254 JK Annotated Anodyne CCN1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2F)CC1 ZINC000587328257 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)c(F)c2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587328259 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328262 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328263 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)c(F)c2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587328264 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328265 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)c(F)c2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587328266 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328268 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)c(F)c2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587328269 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2OCCCO2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587328275 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587328276 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328277 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2OCCCO2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328278 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587328292 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587328293 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587328294 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587328295 JK Annotated Anodyne C[C@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328338 JK Annotated Anodyne C[C@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328339 JK Annotated Anodyne C[C@@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328340 JK Annotated Anodyne C[C@@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328341 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328350 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328351 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccnc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587328360 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccnc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587328361 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccnc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328362 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccnc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328363 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587328372 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587328373 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328378 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328379 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328380 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328381 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328382 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328383 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328384 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328385 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328386 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328387 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328388 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328389 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328390 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328391 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328392 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328393 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)cc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587328401 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)cc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587328402 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)cc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587328404 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328405 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)cc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587328406 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328407 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328409 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328410 JK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328427 JK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328430 JK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328432 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587328433 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328434 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328435 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328436 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587328437 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328438 JK Annotated Reactive O=C(O)[C@@H]1CCC[C@H]([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587328439 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328440 JK Annotated Reactive O=C(O)[C@@H]1CCC[C@H]([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587328441 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328443 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328444 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328445 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328446 JK Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328447 JK Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328453 JK Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328455 JK Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328457 JK Annotated Anodyne COc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587328458 JK Annotated Bother COc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587328459 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587328460 JK Annotated Anodyne COc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587328461 JK Annotated Bother COc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587328462 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587328467 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328468 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587328469 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587328470 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328475 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328479 JK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328480 JK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328481 JK Annotated Reactive CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328482 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328483 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328484 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587328486 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587328488 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328489 JK Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328490 JK Annotated Bother CC[C@]1(c2ccc(-c3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328519 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587328528 JK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328530 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587328531 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328533 JK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328535 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328536 JK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328540 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328542 JK Annotated Anodyne COc1ccc([C@H](C#N)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328544 JK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328545 JK Annotated Mild COc1ccc([C@H](C#N)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328546 JK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587328547 JK Annotated Mild CN(C)/C=C/[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328554 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328557 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328558 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328559 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328560 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328561 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328569 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587328573 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587328576 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587328578 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587328580 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 ZINC000587328592 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 ZINC000587328595 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 ZINC000587328598 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1 ZINC000587328601 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328606 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328610 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328617 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328620 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328651 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328653 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328655 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328656 JK Annotated Reactive COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1SC(F)F ZINC000587328658 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1SC(F)F ZINC000587328660 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1SC(F)F ZINC000587328661 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1SC(F)F ZINC000587328662 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328675 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328677 JK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328680 JK Annotated Mild C[C@@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328681 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328682 JK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328684 JK Annotated Mild CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328685 JK Annotated Mild CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328686 JK Annotated Mild COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328687 JK Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328688 JK Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328689 JK Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328690 JK Annotated Anodyne Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000587328703 JK Annotated Anodyne Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000587328705 JK Annotated Anodyne Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000587328710 JK Annotated Anodyne Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000587328712 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587328750 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587328751 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587328752 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587328753 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587328759 JK Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328763 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587328764 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000587328765 JK Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328766 JK Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328767 JK Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328769 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1F ZINC000587328770 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1F ZINC000587328772 JK Annotated Anodyne COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328773 JK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000587328774 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1F ZINC000587328775 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1F ZINC000587328776 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000587328777 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000587328779 JK Annotated Anodyne COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328783 JK Annotated Reactive COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328786 JK Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328788 JK Annotated Reactive CCc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328799 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328802 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328804 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328806 JK Annotated Anodyne CN1Cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2NC1=O ZINC000587328821 JK Annotated Reactive CN1Cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2NC1=O ZINC000587328822 JK Annotated Reactive CN1Cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2NC1=O ZINC000587328824 JK Annotated Reactive CN1Cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2NC1=O ZINC000587328825 JK Annotated Reactive O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587328831 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587328833 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328841 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328843 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccc(Cl)cc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587328844 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328845 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(Cl)cc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587328846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328847 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328848 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccc(Cl)cc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587328849 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328850 JK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328851 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(c3ccc(Cl)cc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587328852 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328853 JK Annotated Reactive COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCCCl ZINC000587328855 JK Annotated Reactive COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCCCl ZINC000587328857 JK Annotated Reactive COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCCCl ZINC000587328859 JK Annotated Reactive COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCCCl ZINC000587328861 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328870 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328871 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328872 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328873 JK Annotated Reactive Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000587328874 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000587328877 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000587328879 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000587328881 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587328882 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587328884 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587328886 JK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587328888 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328890 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328894 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328896 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328897 JK Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328915 JK Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328917 JK Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328919 JK Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328921 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC(C)C ZINC000587328949 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC(C)C ZINC000587328951 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC(C)C ZINC000587328953 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC(C)C ZINC000587328955 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@H]1c1ccc(F)cc1 ZINC000587328957 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@H]1c1ccc(F)cc1 ZINC000587328959 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@@H]1c1ccc(F)cc1 ZINC000587328962 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)[C@@H]1c1ccc(F)cc1 ZINC000587328964 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587328967 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587328968 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587328970 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587328971 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587329031 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587329034 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587329037 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587329038 JK Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587329054 JK Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587329056 JK Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587329058 JK Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587329061 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587329072 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587329076 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329077 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587329079 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329080 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329082 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587329083 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329085 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329097 JK Annotated Anodyne N#CCCn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587329104 JK Annotated Reactive N#CCCn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587329105 JK Annotated Reactive CN(C)/C=C/[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329106 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329107 JK Annotated Anodyne N#CCCn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587329109 JK Annotated Reactive CN(C)/C=C\[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329110 JK Annotated Anodyne N#CCCn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587329111 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587329141 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587329143 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587329144 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587329147 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329153 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329159 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329162 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329165 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587329211 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3c(F)cccc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587329220 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587329221 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587329223 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587329225 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3c(F)cccc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587329226 JK Annotated Anodyne N#C[C@H](F)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329228 JK Annotated Mild N#C[C@H](F)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329232 JK Annotated Mild N#C[C@H](F)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329233 JK Annotated Mild N#C[C@H](F)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329236 JK Annotated Mild C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329245 JK Annotated Reactive COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587329248 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587329252 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587329254 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329256 JK Annotated Reactive COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587329258 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329259 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329262 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587329312 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587329318 JK Annotated Reactive Cc1ccc([C@@]2(c3c(F)cccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329319 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587329320 JK Annotated Reactive Cc1ccc([C@@]2(c3c(F)cccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329323 JK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329325 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587329326 JK Annotated Reactive Cc1ccc([C@]2(c3c(F)cccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329328 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329330 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329333 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587329339 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000587329340 JK Annotated Reactive COCCOCCCc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587329352 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587329353 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587329354 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587329355 JK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1F ZINC000587329356 JK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1F ZINC000587329357 JK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1F ZINC000587329358 JK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1F ZINC000587329359 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329364 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329365 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329366 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329367 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329380 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329381 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329382 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329383 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587329384 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587329385 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587329386 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587329387 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587329396 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587329397 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587329398 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587329399 JK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329404 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329405 JK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329406 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329407 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329408 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329409 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329410 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329411 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329416 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329417 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329418 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329419 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329428 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329429 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329430 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329431 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329432 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329433 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329434 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329435 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329440 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329441 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329442 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329443 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000587329446 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587329448 JK Annotated Reactive CC(C)(C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587329450 JK Annotated Anodyne CC(C)(C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587329452 JK Annotated Anodyne CC(C)(C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587329453 JK Annotated Anodyne CC(C)(C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587329455 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329483 JK Annotated Anodyne NC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329485 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329486 JK Annotated Anodyne C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329488 JK Annotated Unstable C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329491 JK Annotated Unstable C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329492 JK Annotated Unstable C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329495 JK Annotated Unstable NC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329496 JK Annotated Anodyne NC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329499 JK Annotated Anodyne NC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329501 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2Cl)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587329504 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2Cl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587329508 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2Cl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587329511 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2Cl)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587329515 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587329518 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587329520 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3COc3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329533 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3COc3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329542 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3COc3cc(F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329545 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3COc3cc(F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329548 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587329550 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587329555 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587329557 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329559 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587329560 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329568 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587329571 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587329574 JK Annotated Reactive Cn1c(O)cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587329591 JK Annotated Reactive Cn1c(O)cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587329592 JK Annotated Reactive Cn1c(O)cc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587329594 JK Annotated Reactive Cn1c(O)cc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587329597 JK Annotated Reactive CC(C)(C)Sc1ccc(F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329606 JK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329619 JK Annotated Anodyne Nc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329620 JK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329623 JK Annotated Anodyne Nc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329625 JK Annotated Anodyne Nc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329626 JK Annotated Anodyne Nc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329627 JK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329628 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329669 JK Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329673 JK Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329676 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329679 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@@H]1c1ccc(F)cc1 ZINC000587329681 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@H]1c1ccc(F)cc1 ZINC000587329689 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@@H]1c1ccc(F)cc1 ZINC000587329692 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)[C@H]1c1ccc(F)cc1 ZINC000587329696 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000587329699 JK Annotated Reactive Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329705 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329708 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000587329709 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1 ZINC000587329711 JK Annotated Reactive Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329712 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329718 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@H]1CCCO1 ZINC000587329719 JK Annotated Reactive C[C@@]1(c2ccc3ccccc3c2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329729 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329738 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329741 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329743 JK Annotated Anodyne C[C@@]1(c2ccc3ccccc3c2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329744 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329746 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329747 JK Annotated Anodyne C[C@]1(c2ccc3ccccc3c2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329748 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329750 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329751 JK Annotated Anodyne C[C@]1(c2ccc3ccccc3c2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329752 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329764 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329766 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329768 JK Annotated Anodyne CC(C)(C)[C@@]1(CC(=O)Nc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329778 JK Annotated Anodyne CC(C)(C)[C@]1(CC(=O)Nc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329782 JK Annotated Anodyne CC(C)(C)[C@]1(CC(=O)Nc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329786 JK Annotated Anodyne CC(C)(C)[C@@]1(CC(=O)Nc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329789 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329844 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329848 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329851 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329854 JK Annotated Reactive Cc1cc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587329896 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587329900 JK Annotated Anodyne Cc1cc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587329903 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587329904 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329905 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329911 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329913 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329916 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587329917 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587329922 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587329925 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587329928 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329941 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329942 JK Annotated Reactive C[C@@H](NC(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587329966 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329967 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329968 JK Annotated Anodyne C[C@@H](NC(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587329969 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 ZINC000587329970 JK Annotated Reactive C[C@@H](NC(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587329971 JK Annotated Anodyne C[C@@H](NC(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587329972 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 ZINC000587329973 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 ZINC000587329975 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CCl)ccc21 ZINC000587329977 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587330008 JK Annotated Reactive CC(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587330009 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587330010 JK Annotated Reactive CC(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(C)C)c1 ZINC000587330011 JK Annotated Reactive CCCCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587330020 JK Annotated Reactive CCCCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587330021 JK Annotated Reactive CCCCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587330022 JK Annotated Reactive CCCCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587330023 JK Annotated Reactive Cc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1Cl ZINC000587330028 JK Annotated Anodyne Cc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1Cl ZINC000587330029 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587330038 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587330039 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587330040 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccco1 ZINC000587330041 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587330049 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587330051 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587330072 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587330073 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587330074 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587330075 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587330092 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587330093 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587330094 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587330095 JK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330112 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330113 JK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330114 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330115 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330116 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330117 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330118 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330119 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(C(=O)O)(c3cccc(Cl)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000587330124 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(C(=O)O)(c3cccc(Cl)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587330125 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330126 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330127 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330128 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330129 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587330130 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587330131 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587330132 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587330133 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330134 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330135 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330136 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330137 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330138 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330139 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330140 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330141 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330142 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330143 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330144 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330145 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330146 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330147 JK Annotated Reactive O=C(O)CCC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330148 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330149 JK Annotated Reactive CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c21 ZINC000587330150 JK Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c21 ZINC000587330151 JK Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c21 ZINC000587330153 JK Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c21 ZINC000587330154 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587330161 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587330164 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587330165 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587330166 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587330171 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587330176 JK Annotated Reactive N#CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330243 JK Annotated Mild N#CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330244 JK Annotated Mild N#CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330246 JK Annotated Mild N#CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330247 JK Annotated Mild C[C@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330320 JK Annotated Mild C[C@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330325 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330327 JK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330329 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330331 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330332 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330333 JK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330334 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330335 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330336 JK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330338 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330339 JK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)ccc1F ZINC000587330362 JK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)ccc1F ZINC000587330366 JK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)ccc1F ZINC000587330368 JK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)ccc1F ZINC000587330370 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330382 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330385 JK Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330387 JK Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330391 JK Annotated Anodyne N#Cc1ccccc1[C@@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330394 JK Annotated Mild N#Cc1ccccc1[C@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330403 JK Annotated Mild Cc1cccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587330408 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587330410 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587330412 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587330415 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330416 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330419 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330421 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330422 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587330444 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587330447 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330455 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330458 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330459 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330461 JK Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330507 JK Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330510 JK Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330512 JK Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330514 JK Annotated Bother Nc1cccc([C@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330521 JK Annotated Anodyne Nc1cccc([C@@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330522 JK Annotated Anodyne Nc1cccc([C@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330524 JK Annotated Anodyne Nc1cccc([C@@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330526 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330529 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330530 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330532 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330534 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2Cl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587330558 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2Cl)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587330559 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2Cl)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587330560 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2Cl)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587330561 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587330578 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587330579 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587330580 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587330581 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330582 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330583 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330584 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330585 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330598 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330599 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330600 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330601 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)(c3cccc(Cl)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587330602 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)(c3cccc(Cl)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587330603 JK Annotated Anodyne N#Cc1ccccc1[C@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330609 JK Annotated Mild N#Cc1ccccc1[C@@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330611 JK Annotated Mild C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330613 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587330617 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587330618 JK Annotated Reactive C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330619 JK Annotated Mild C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330622 JK Annotated Mild C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330624 JK Annotated Mild C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330641 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330643 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330650 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330652 JK Annotated Anodyne C[C@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330659 JK Annotated Anodyne C[C@@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330660 JK Annotated Anodyne C[C@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330662 JK Annotated Anodyne C[C@@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330664 JK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587330671 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587330675 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587330676 JK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Cl ZINC000587330678 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1F ZINC000587330699 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1F ZINC000587330701 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330706 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1F ZINC000587330709 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1F ZINC000587330711 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330715 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330718 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587330720 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330721 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587330722 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330724 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330725 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330726 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330728 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330729 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330731 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330733 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330734 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330756 JK Annotated Mild Cc1cc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587330763 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330764 JK Annotated Mild Cc1cc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587330765 JK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330766 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000587330767 JK Annotated Mild Cc1cc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587330768 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330769 JK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587330770 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330771 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330772 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330773 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330774 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330775 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330776 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330777 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330778 JK Annotated Anodyne Cn1cc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587330779 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330780 JK Annotated Anodyne Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587330781 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330782 JK Annotated Anodyne Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587330783 JK Annotated Anodyne Cn1cc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587330784 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330785 JK Annotated Anodyne COc1c(F)cccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330786 JK Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330787 JK Annotated Reactive COc1c(F)cccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330789 JK Annotated Reactive COc1c(F)cccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330791 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587330793 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587330796 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587330798 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587330800 JK Annotated Reactive CC(C)(Br)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330801 JK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330804 JK Annotated Anodyne CC(C)(Br)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330805 JK Annotated Anodyne CC(C)(Br)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330807 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587330834 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587330848 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587330850 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587330853 JK Annotated Anodyne C[C@]1(Cc2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330855 JK Annotated Anodyne C[C@@]1(Cc2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330857 JK Annotated Anodyne C[C@@]1(Cc2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330859 JK Annotated Anodyne C[C@]1(Cc2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330861 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330891 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330895 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330907 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330908 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3cc(F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587330909 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3cc(F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587330910 JK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330935 JK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330938 JK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330940 JK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330941 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330963 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330965 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330966 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330967 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(F)ccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587330969 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(F)ccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587330971 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(F)ccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587330973 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(F)ccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587330975 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330987 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330989 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330991 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330993 JK Annotated Reactive C[C@]1(c2ccccc2OCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331002 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331004 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331008 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331010 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331017 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331018 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331020 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331021 JK Annotated Anodyne C[C@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331031 JK Annotated Anodyne C[C@@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331032 JK Annotated Anodyne C[C@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331033 JK Annotated Anodyne C[C@@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331035 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)c3cccnc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331048 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)c3cccnc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331050 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)c3cccnc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331051 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)c3cccnc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331052 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331082 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331084 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331085 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331087 JK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331100 JK Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331102 JK Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331104 JK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331109 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331111 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331112 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331116 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331118 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331119 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331120 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331128 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331130 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331131 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331132 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331133 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331134 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331135 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331139 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331141 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331151 JK Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331154 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331155 JK Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331156 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331157 JK Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331158 JK Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331161 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc(SC(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587331162 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc(SC(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587331163 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc(SC(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587331165 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc(SC(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587331166 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331176 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331180 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331184 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587331185 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587331188 JK Annotated Reactive CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331189 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331192 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331194 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000587331205 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331207 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000587331209 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000587331211 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331214 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000587331215 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331219 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331226 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331228 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587331236 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587331238 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331240 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331242 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331244 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331245 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331248 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331258 JK Annotated Reactive C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331261 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331262 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331264 JK Annotated Reactive Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331313 JK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331317 JK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331319 JK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331322 JK Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331337 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-2 ZINC000587331339 JK Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331341 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-2 ZINC000587331342 JK Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331343 JK Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331345 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-2 ZINC000587331346 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1-2 ZINC000587331349 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587331365 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331367 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587331369 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331373 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331375 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331378 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331380 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331385 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331398 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331399 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331403 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331406 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331412 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587331414 JK Annotated Reactive C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331415 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331416 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587331418 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587331419 JK Annotated Reactive C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331420 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587331422 JK Annotated Reactive O=C1c2ccc(O)cc2OC2(CCN(c3ncccc3C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587331434 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncccc3C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587331436 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl ZINC000587331453 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl ZINC000587331455 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(F)ccc(F)c21 ZINC000587331476 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(F)ccc(F)c21 ZINC000587331477 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(F)ccc(F)c21 ZINC000587331478 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(F)ccc(F)c21 ZINC000587331479 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331484 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331485 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331486 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331487 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331492 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331493 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331494 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331495 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587331499 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587331500 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587331501 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587331502 JK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331542 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331545 JK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331546 JK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331547 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331548 JK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331549 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331550 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331552 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331561 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331563 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331565 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331567 JK Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331568 JK Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331571 JK Annotated Anodyne C[C@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331573 JK Annotated Anodyne C[C@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331575 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331589 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331594 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331597 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331601 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331615 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331618 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331619 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331622 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](/C=N/Nc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587331626 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](/C=N/Nc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587331627 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](/C=N/Nc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587331629 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](/C=N/Nc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587331631 JK Annotated Mild Cn1nc(C(F)(F)F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl ZINC000587331675 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl ZINC000587331678 JK Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F)OC ZINC000587331681 JK Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F)OC ZINC000587331692 JK Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F)OC ZINC000587331693 JK Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F)OC ZINC000587331695 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331739 JK Annotated Mild C[C@@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331743 JK Annotated Mild C[C@@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331744 JK Annotated Mild C[C@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331747 JK Annotated Mild COc1cccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331804 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331812 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331816 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331818 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331865 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331866 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331867 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331872 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2c(Cl)nc3ccccc32)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587331914 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2c(Cl)nc3ccccc32)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587331917 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2c(Cl)nc3ccccc32)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587331920 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2c(Cl)nc3ccccc32)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587331921 JK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331964 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2Cl)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587331967 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2Cl)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587331969 JK Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331971 JK Annotated Reactive Cc1ccc([C@@]2(COCC(F)(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331973 JK Annotated Anodyne CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331975 JK Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331976 JK Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331977 JK Annotated Reactive Cc1ccc([C@]2(COCC(F)(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331978 JK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331981 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587331982 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587331986 JK Annotated Anodyne C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331988 JK Annotated Anodyne C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331991 JK Annotated Anodyne C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331992 JK Annotated Anodyne C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331995 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331997 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331998 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332000 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332001 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332002 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587332003 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587332004 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332005 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332006 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587332007 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332008 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332010 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332021 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332024 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332026 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332029 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587332042 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587332044 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332046 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587332047 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332048 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587332049 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332052 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332059 JK Annotated Anodyne O=C(O)CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332061 JK Annotated Anodyne O=C(O)CCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332064 JK Annotated Anodyne O=C(O)CCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332066 JK Annotated Anodyne O=C(O)CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332067 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332068 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332069 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332070 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332071 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332080 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332081 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332082 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332083 JK Annotated Reactive COc1ccc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332088 JK Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332089 JK Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332090 JK Annotated Reactive COc1ccc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332091 JK Annotated Reactive CSc1nccc(C[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587332104 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587332105 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587332106 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587332107 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332112 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332113 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332114 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332115 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587332132 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587332133 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587332134 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587332135 JK Annotated Reactive COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332171 JK Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332173 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587332225 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587332226 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587332227 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587332229 JK Annotated Anodyne CN(C)/C=C/[C@@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332258 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332263 JK Annotated Anodyne CN(C)/C=C/[C@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332264 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332265 JK Annotated Anodyne CN(C)/C=C/[C@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332266 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332267 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332268 JK Annotated Anodyne CN(C)/C=C/[C@@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332269 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332270 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332272 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332273 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332275 JK Annotated Anodyne Nc1ccc([C@]2(c3cc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332283 JK Annotated Anodyne Nc1ccc([C@@]2(c3cc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332285 JK Annotated Anodyne Nc1ccc([C@]2(c3cc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332288 JK Annotated Anodyne Nc1ccc([C@@]2(c3cc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332290 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587332303 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587332307 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587332310 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587332314 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587332316 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587332319 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587332321 JK Annotated Anodyne C[C@]1(c2ccc(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332322 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587332323 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332325 JK Annotated Anodyne C[C@]1(c2ccc(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332326 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332330 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332335 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332336 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332339 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332340 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332349 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332352 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587332356 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587332357 JK Annotated Reactive C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332361 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332365 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332367 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332371 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Cl)cccc21 ZINC000587332444 JK Annotated Anodyne C[C@]1(c2cc(Br)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332445 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Cl)cccc21 ZINC000587332448 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332450 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Cl)cccc21 ZINC000587332452 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Cl)cccc21 ZINC000587332455 JK Annotated Anodyne C[C@]1(c2cc(Br)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332459 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332460 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587332498 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587332501 JK Annotated Anodyne CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332505 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587332506 JK Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332508 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587332509 JK Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332511 JK Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332514 JK Annotated Reactive CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332515 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332520 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cn1 ZINC000587332528 JK Annotated Anodyne CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332529 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332530 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cn1 ZINC000587332531 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332533 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cn1 ZINC000587332534 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(Cl)cn1 ZINC000587332537 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587332538 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332539 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587332541 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332542 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332545 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587332547 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587332559 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587332584 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332585 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332592 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587332593 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587332594 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332597 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332599 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332601 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332602 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332603 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332605 JK Annotated Bother C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332609 JK Annotated Bother C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332613 JK Annotated Bother C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332615 JK Annotated Bother O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332618 JK Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332626 JK Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332629 JK Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332633 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332638 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332642 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332645 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332648 JK Annotated Anodyne CC(C)(c1cccnc1)[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332666 JK Annotated Anodyne CC(C)(c1cccnc1)[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332671 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(Cl)cc3CCc3cccnc32)[C@H]1c1ccc(F)cc1 ZINC000587332673 JK Annotated Anodyne CC(C)(c1cccnc1)[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332676 JK Annotated Anodyne CC(C)(c1cccnc1)[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332678 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(Cl)cc3CCc3cccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587332681 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccc(Cl)cc3CCc3cccnc32)[C@H]1c1ccc(F)cc1 ZINC000587332683 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccc(Cl)cc3CCc3cccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587332687 JK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000587332690 JK Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000587332692 JK Annotated Reactive O=C(O)c1ccc([C@@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332695 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000587332697 JK Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000587332698 JK Annotated Reactive O=C(O)c1ccc([C@@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332712 JK Annotated Anodyne O=C(O)c1ccc([C@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332714 JK Annotated Anodyne O=C(O)c1ccc([C@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332720 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332741 JK Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587332744 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332745 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332749 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332750 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332751 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332752 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332763 JK Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587332764 JK Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587332765 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587332766 JK Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587332767 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332768 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587332769 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332771 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587332772 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332774 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587332775 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332777 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587332781 JK Annotated Clean Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332783 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332785 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587332788 JK Annotated Clean Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332790 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332791 JK Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332792 JK Annotated Clean Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000587332795 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000587332798 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000587332799 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1 ZINC000587332801 JK Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(F)cc2N1 ZINC000587332803 JK Annotated Reactive CNc1ccc(C2(c3ccc(NC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332805 JK Annotated Anodyne O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(F)cc2N1 ZINC000587332806 JK Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(F)cc2N1 ZINC000587332807 JK Annotated Reactive CNc1ccc(C2(c3ccc(NC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332808 JK Annotated Anodyne O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(F)cc2N1 ZINC000587332809 JK Annotated Reactive Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587332811 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587332815 JK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587332817 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587332818 JK Annotated Mild O=C(O)c1ccccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332843 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332846 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332849 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332851 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332883 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332885 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332887 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332889 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332893 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332895 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332897 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332901 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332982 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332988 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332992 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332995 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587333007 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587333008 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333009 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333010 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587333011 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333012 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587333013 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333014 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587333015 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CBr)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587333017 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587333018 JK Annotated Bother COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333019 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587333020 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587333021 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CBr)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587333023 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587333024 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587333025 JK Annotated Reactive COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333029 JK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333032 JK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333033 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333043 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333045 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333047 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333049 JK Annotated Reactive CSC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333051 JK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333053 JK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333055 JK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333057 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333058 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333059 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333060 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333063 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333075 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333077 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333080 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333081 JK Annotated Anodyne O=C(N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587333086 JK Annotated Anodyne O=C(N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587333087 JK Annotated Anodyne O=C(N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587333090 JK Annotated Anodyne O=C(N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587333093 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333097 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333099 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333101 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333103 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333110 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333112 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333114 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333116 JK Annotated Anodyne C[C@@]1(c2cccc(CCC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333147 JK Annotated Anodyne C[C@@]1(c2cccc(CCC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333152 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333161 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333163 JK Annotated Anodyne Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1Cl ZINC000587333167 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1Cl ZINC000587333170 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1Cl ZINC000587333172 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1Cl ZINC000587333174 JK Annotated Reactive CC[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333187 JK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333189 JK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333191 JK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333192 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587333195 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(F)ccc2F)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587333198 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(F)ccc2F)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587333199 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587333200 JK Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587333206 JK Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587333208 JK Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587333210 JK Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587333212 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333222 JK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587333223 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333224 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333225 JK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]2C[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587333226 JK Annotated Anodyne C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333227 JK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587333228 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCF)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587333229 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2C[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587333230 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCF)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587333232 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCF)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587333233 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCF)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587333234 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333252 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333254 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333255 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333258 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587333266 JK Annotated Anodyne COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O ZINC000587333267 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587333268 JK Annotated Anodyne COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O ZINC000587333269 JK Annotated Reactive COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O ZINC000587333270 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587333271 JK Annotated Anodyne COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O ZINC000587333272 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587333273 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333281 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333282 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333284 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333286 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333313 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333316 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333318 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333320 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333329 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333330 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333331 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333333 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333347 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333348 JK Annotated Anodyne C[C@]1(c2cccc(CCC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333363 JK Annotated Anodyne C[C@]1(c2cccc(CCC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333364 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1Cc1ccc(Cl)cc1 ZINC000587333365 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1Cc1ccc(Cl)cc1 ZINC000587333368 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1Cc1ccc(Cl)cc1 ZINC000587333372 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1Cc1ccc(Cl)cc1 ZINC000587333375 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333398 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333408 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333411 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333414 JK Annotated Anodyne CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333453 JK Annotated Anodyne CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333455 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333459 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587333464 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587333465 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333467 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587333468 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333469 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333470 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587333471 JK Annotated Anodyne N#CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333472 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCCOc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587333473 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587333475 JK Annotated Anodyne N#CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333477 JK Annotated Mild N#CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333479 JK Annotated Mild COc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333481 JK Annotated Anodyne N#CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333483 JK Annotated Mild COc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333485 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333490 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333493 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333509 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333513 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587333515 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587333518 JK Annotated Reactive Cc1nc2c(C)cccc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333519 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587333520 JK Annotated Reactive Cc1nc2c(C)cccc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333522 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587333524 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587333525 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587333529 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587333532 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587333534 JK Annotated Anodyne C[C@]1(c2cccc(OC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333573 JK Annotated Anodyne CC(C)(C)OC(=O)NCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333575 JK Annotated Anodyne CC(C)(C)OC(=O)NCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333578 JK Annotated Anodyne C[C@@]1(c2cccc(OC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333579 JK Annotated Anodyne C[C@]1(c2cccc(OC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333583 JK Annotated Anodyne C[C@@]1(c2cccc(OC(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333585 JK Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333606 JK Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333610 JK Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333613 JK Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333617 JK Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333620 JK Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333622 JK Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333626 JK Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333631 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333634 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333637 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333641 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333643 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333675 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333679 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333682 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333686 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333719 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(Cl)ccc3-c3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333725 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333727 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333729 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333731 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(F)cc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587333733 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(Cl)ccc3-c3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333734 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(F)cc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587333736 JK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl ZINC000587333739 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(F)cc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587333740 JK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl ZINC000587333741 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(F)cc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587333742 JK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl ZINC000587333743 JK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl ZINC000587333745 JK Annotated Anodyne Cn1cc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587333749 JK Annotated Anodyne Cn1cc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587333750 JK Annotated Anodyne Cn1cc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587333752 JK Annotated Anodyne Cn1cc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587333754 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333756 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333762 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333764 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333766 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333787 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333805 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333807 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333808 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3O2)c1N ZINC000587333813 JK Annotated Anodyne COc1cccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3O2)c1N ZINC000587333814 JK Annotated Anodyne COc1cccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3O2)c1N ZINC000587333815 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3O2)c1N ZINC000587333818 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333828 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333830 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333832 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333833 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333835 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333836 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333839 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333842 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333845 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333847 JK Annotated Anodyne O=C(NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587333848 JK Annotated Anodyne O=C(NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587333853 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333889 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333892 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333895 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333897 JK Annotated Anodyne N/N=C(\c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333903 JK Annotated Mild N/N=C(\c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333908 JK Annotated Mild N/N=C(\c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333910 JK Annotated Mild N/N=C(\c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333912 JK Annotated Mild Nc1nc2cc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2o1 ZINC000587333942 JK Annotated Anodyne Nc1nc2cc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2o1 ZINC000587333943 JK Annotated Anodyne Nc1nc2cc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2o1 ZINC000587333945 JK Annotated Anodyne Nc1nc2cc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2o1 ZINC000587333947 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587333949 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587333956 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587333957 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587333959 JK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587333998 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587333999 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334002 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334005 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334008 JK Annotated Anodyne CC(C)(C)[C@@]1(COC(=O)c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334009 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587334010 JK Annotated Anodyne CC(C)(C)[C@@]1(COC(=O)c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334012 JK Annotated Anodyne CC(C)(C)[C@]1(COC(=O)c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334016 JK Annotated Anodyne CC(C)(C)[C@]1(COC(=O)c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334018 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587334024 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587334026 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587334028 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587334030 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587334032 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587334036 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587334049 JK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000587334051 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000587334052 JK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587334055 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587334057 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587334059 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587334062 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587334064 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587334066 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587334069 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334074 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334076 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334077 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334079 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587334080 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587334081 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587334082 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587334083 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334084 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334085 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334086 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334087 JK Annotated Anodyne C[C@]1([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334088 JK Annotated Mild C[C@]1([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334089 JK Annotated Mild C[C@]1([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334090 JK Annotated Mild C[C@]1([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334091 JK Annotated Mild O=C1c2ccc(O)cc2OC2(CCC(c3cccc(C(F)(F)F)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587334113 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334115 JK Annotated Anodyne C=CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334121 JK Annotated Mild C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334122 JK Annotated Mild C=CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334123 JK Annotated Mild C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334124 JK Annotated Mild C[C@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334126 JK Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334130 JK Annotated Mild C[C@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334133 JK Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334134 JK Annotated Mild CCN(CC)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334141 JK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334144 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(F)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334145 JK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334146 JK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334147 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(F)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334148 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(F)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334151 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(F)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334154 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334174 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334178 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334180 JK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334182 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334183 JK Annotated Anodyne C[C@@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334184 JK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334185 JK Annotated Anodyne N#CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334186 JK Annotated Mild C[C@@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334189 JK Annotated Anodyne N#CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334190 JK Annotated Mild N#CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334193 JK Annotated Mild N#CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587334196 JK Annotated Mild O=C(O)CCC1=COc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334221 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587334222 JK Annotated Anodyne C[C@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334225 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334227 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587334228 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334229 JK Annotated Anodyne C[C@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334231 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334232 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587334234 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334235 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334236 JK Annotated Anodyne C[C@]1(CC[C@](F)(Cl)C(F)(F)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334237 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587334238 JK Annotated Anodyne C[C@]1(CC[C@@](F)(Cl)C(F)(F)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334245 JK Annotated Anodyne C[C@]1(CC[C@](F)(Cl)C(F)(F)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334249 JK Annotated Anodyne C[C@]1(CC[C@@](F)(Cl)C(F)(F)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334251 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H](Cl)CCCCCCCCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587334255 JK Annotated Reactive N=c1[nH]c2ccc([C@@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587334256 JK Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587334260 JK Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587334264 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@H](Cl)CCCCCCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587334265 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2([C@@H](Cl)CCCCCCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587334268 JK Annotated Reactive N=c1[nH]c2ccc([C@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587334269 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)[C@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587334271 JK Annotated Reactive CCN(CC)C(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334277 JK Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334282 JK Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334287 JK Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334288 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)[C@H]1c1ccc(F)cc1 ZINC000587334298 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587334305 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587334309 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)[C@H]1c1ccc(F)cc1 ZINC000587334313 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@H]21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587334357 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334359 JK Annotated Clean CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@@H]21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587334361 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334364 JK Annotated Clean CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334365 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334366 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334367 JK Annotated Clean CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334368 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334372 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334373 JK Annotated Clean CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334376 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCSc2ccccn2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334377 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334380 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334382 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCSc2ccccn2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334383 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334385 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334387 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCSc2ccccn2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334390 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334394 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCSc2ccccn2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334397 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587334463 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587334466 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587334471 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587334477 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587334479 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587334488 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587334490 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587334491 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334509 JK Annotated Clean O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587334512 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334519 JK Annotated Clean O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587334521 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334524 JK Annotated Clean O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587334525 JK Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000587334526 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334528 JK Annotated Clean COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000587334535 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000587334536 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334548 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334549 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334551 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334553 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334554 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334555 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334557 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334558 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334561 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334564 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334567 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334571 JK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334577 JK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334580 JK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334582 JK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334585 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587334591 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587334598 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587334603 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587334607 JK Annotated Anodyne C[C@@]1(c2c(F)cc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334620 JK Annotated Anodyne C[C@]1(c2c(F)cc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334622 JK Annotated Anodyne C[C@@]1(c2c(F)cc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334625 JK Annotated Anodyne C[C@]1(c2c(F)cc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334627 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587334628 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587334630 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587334635 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587334638 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334680 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334681 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334684 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334686 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334688 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334696 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334697 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334699 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334702 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587334704 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334706 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587334709 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334710 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334711 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334712 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334714 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCC3)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334719 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCC3)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334721 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCC3)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334723 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCC3)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334725 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334736 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334737 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334738 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334739 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334740 JK Annotated Reactive C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334741 JK Annotated Reactive C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334742 JK Annotated Reactive C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334743 JK Annotated Reactive C[C@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334782 JK Annotated Mild C[C@@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334783 JK Annotated Mild C[C@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334784 JK Annotated Mild C[C@@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334785 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587334794 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587334795 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587334796 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587334797 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(C(F)(F)F)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334806 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(C(F)(F)F)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334807 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(C(F)(F)F)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334808 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(C(F)(F)F)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334809 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334810 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334811 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334812 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334813 JK Annotated Anodyne N#CC[C@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334814 JK Annotated Mild N#CC[C@@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334815 JK Annotated Mild N#CC[C@@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334816 JK Annotated Mild N#CC[C@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334817 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334834 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587334835 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587334836 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334837 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334838 JK Annotated Clean O=C1c2ccc(O)cc2OC2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587334839 JK Annotated Clean C[C@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334846 JK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334847 JK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334848 JK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334849 JK Annotated Anodyne C[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334850 JK Annotated Anodyne C[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334851 JK Annotated Anodyne C[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334852 JK Annotated Anodyne C[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334853 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334854 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334855 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334856 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334857 JK Annotated Anodyne O=C(O)CCC[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334860 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334861 JK Annotated Anodyne O=C(O)CCC[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334862 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334863 JK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334938 JK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334940 JK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334942 JK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334945 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587334950 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587334955 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587334957 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587334961 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587334976 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334979 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334981 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334982 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587334985 JK Annotated Anodyne C[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334987 JK Annotated Anodyne C[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334989 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334990 JK Annotated Anodyne C[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334991 JK Annotated Anodyne C[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334993 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334994 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334997 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335065 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335073 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335079 JK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335084 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335088 JK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335089 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335093 JK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335094 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335099 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335100 JK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335103 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335105 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335108 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335110 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335114 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335119 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335140 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335145 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587335148 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335150 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335154 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335157 JK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335164 JK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335175 JK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335180 JK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335185 JK Annotated Bother C[C@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335186 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335187 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335192 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335196 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335201 JK Annotated Anodyne C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335202 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587335206 JK Annotated Anodyne C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335207 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587335210 JK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335212 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587335213 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587335217 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335262 JK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335266 JK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335269 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335273 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587335283 JK Annotated Reactive Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335292 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587335294 JK Annotated Reactive Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335296 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587335299 JK Annotated Reactive Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335302 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587335305 JK Annotated Reactive Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335309 JK Annotated Mild COc1cccc(NC(=O)C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335318 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335326 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335329 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335331 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335335 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335347 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335348 JK Annotated Anodyne Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587335363 JK Annotated Bother O=C(O)CCC[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335365 JK Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335367 JK Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335369 JK Annotated Mild Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587335371 JK Annotated Bother Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587335373 JK Annotated Bother N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335375 JK Annotated Mild Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000587335377 JK Annotated Bother N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335379 JK Annotated Mild CC(C)(C)OC(=O)N1CCCC12CCC1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335398 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC12CCC1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335404 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335422 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335425 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335427 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335429 JK Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)no1 ZINC000587335447 JK Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)no1 ZINC000587335448 JK Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)no1 ZINC000587335451 JK Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)no1 ZINC000587335460 JK Annotated Anodyne C[C@]1(c2c(Cl)ccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335490 JK Annotated Anodyne C[C@]1(c2c(Cl)ccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335491 JK Annotated Anodyne C[C@@]1(c2c(Cl)ccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335492 JK Annotated Anodyne C[C@@]1(c2c(Cl)ccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335493 JK Annotated Anodyne C[C@]1(Cc2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335498 JK Annotated Anodyne C[C@@]1(Cc2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335499 JK Annotated Anodyne C[C@@]1(Cc2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335500 JK Annotated Anodyne C[C@]1(Cc2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335501 JK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335527 JK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335532 JK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335533 JK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335534 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(F)cc3CCc3ncccc32)[C@@H]1c1ccc(F)cc1 ZINC000587335636 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccc(F)cc3CCc3ncccc32)[C@@H]1c1ccc(F)cc1 ZINC000587335641 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(F)cc3CCc3ncccc32)[C@H]1c1ccc(F)cc1 ZINC000587335644 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccc(F)cc3CCc3ncccc32)[C@H]1c1ccc(F)cc1 ZINC000587335648 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335672 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335676 JK Annotated Anodyne CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335677 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587335679 JK Annotated Reactive CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335680 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587335681 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587335682 JK Annotated Reactive C[C@@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335684 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587335686 JK Annotated Reactive C[C@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335688 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587335690 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587335695 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587335696 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587335698 JK Annotated Anodyne C[C@]1(c2cc(F)ccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335721 JK Annotated Anodyne C[C@@]1(c2cc(F)ccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335727 JK Annotated Anodyne C[C@]1(c2cc(F)ccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335730 JK Annotated Anodyne C[C@@]1(c2cc(F)ccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335733 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335784 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335791 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335797 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335799 JK Annotated Anodyne N#Cc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335806 JK Annotated Mild N#Cc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335812 JK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587335815 JK Annotated Mild N#Cc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335816 JK Annotated Mild N#Cc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335819 JK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587335821 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587335824 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587335831 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2cc(Br)ccc2F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335840 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(Br)ccc2F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587335846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Br)ccc2F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587335849 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Br)ccc2F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335851 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335855 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335859 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335863 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335868 JK Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335873 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335877 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335880 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335883 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587335888 JK Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335889 JK Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335891 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587335892 JK Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335893 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335896 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587335898 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587335902 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nncs2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335904 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nncs2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335923 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nncs2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335926 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587335928 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CSc2nncs2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335929 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587335934 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587335935 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587335936 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587335937 JK Annotated Reactive Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335940 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587335943 JK Annotated Anodyne CC(C)(C)[C@@]1(c2cc3ccccc3nc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335944 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335946 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587335947 JK Annotated Anodyne CC(C)(C)[C@]1(c2cc3ccccc3nc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335949 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587335952 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335953 JK Annotated Anodyne CC(C)(C)[C@]1(c2cc3ccccc3nc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335954 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335959 JK Annotated Anodyne CC(C)(C)[C@@]1(c2cc3ccccc3nc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335960 JK Annotated Anodyne Nc1ccccc1C(=O)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335964 JK Annotated Anodyne Nc1ccccc1C(=O)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335966 JK Annotated Anodyne Nc1ccccc1C(=O)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335971 JK Annotated Anodyne Nc1ccccc1C(=O)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335975 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336068 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336069 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336070 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336071 JK Annotated Anodyne C[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587336076 JK Annotated Anodyne C[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587336077 JK Annotated Anodyne C[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587336078 JK Annotated Anodyne C[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587336079 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccnc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336080 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336081 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336082 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccnc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336083 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1cccc(Cl)c1 ZINC000587336084 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1cccc(Cl)c1 ZINC000587336085 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1cccc(Cl)c1 ZINC000587336086 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1cccc(Cl)c1 ZINC000587336087 JK Annotated Anodyne CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336088 JK Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336089 JK Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336090 JK Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336091 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2cc(Cl)ccc2O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587336100 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587336101 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587336102 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(Cl)ccc2O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587336103 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 ZINC000587336108 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 ZINC000587336111 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 ZINC000587336113 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 ZINC000587336114 JK Annotated Anodyne CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336169 JK Annotated Clean CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336172 JK Annotated Clean O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587336208 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587336211 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587336219 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587336223 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587336232 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587336237 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587336240 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587336244 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587336257 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587336258 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587336268 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587336269 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587336273 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587336274 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587336277 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587336278 JK Annotated Anodyne N#Cc1ccc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336284 JK Annotated Mild N#Cc1ccc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336295 JK Annotated Mild N#Cc1ccc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336301 JK Annotated Mild CC(C)c1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336309 JK Annotated Anodyne N#Cc1ccc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336313 JK Annotated Mild CC(C)c1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336314 JK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336319 JK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336324 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587336325 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587336330 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336334 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336337 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336348 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336356 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587336358 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336360 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587336364 JK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336366 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336367 JK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336372 JK Annotated Anodyne Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336373 JK Annotated Bother CCN(CC)C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336375 JK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336377 JK Annotated Anodyne Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336378 JK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336384 JK Annotated Bother CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336386 JK Annotated Anodyne Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336390 JK Annotated Bother CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336392 JK Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336417 JK Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336428 JK Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336432 JK Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336436 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336446 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336453 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336457 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336459 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336460 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336462 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336466 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336469 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587336509 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587336512 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336514 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336518 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336541 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336546 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336550 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336557 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336564 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336567 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336569 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336573 JK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336578 JK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336583 JK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336592 JK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336596 JK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587336643 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587336647 JK Annotated Reactive Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336649 JK Annotated Anodyne Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336653 JK Annotated Anodyne Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336655 JK Annotated Anodyne Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336660 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587336694 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587336697 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587336701 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587336703 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587336707 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587336708 JK Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336718 JK Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336721 JK Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336722 JK Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336724 JK Annotated Anodyne CCc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587336741 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587336748 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587336750 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587336751 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587336761 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336762 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587336763 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336765 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587336823 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587336826 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587336829 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587336831 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336833 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336839 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336844 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336845 JK Annotated Anodyne CN1[C@H](c2ccccc2)C[C@@]2(C[C@@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336882 JK Annotated Anodyne CN1[C@H](c2ccccc2)C[C@@]2(C[C@@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336887 JK Annotated Anodyne CN1[C@H](c2ccccc2)CC2(C[C@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336892 JK Annotated Anodyne CN1[C@H](c2ccccc2)CC2(C[C@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336897 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CN(C(c3ccccc3)c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336937 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CN(C(c3ccccc3)c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587336941 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336967 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336969 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336973 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336977 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336981 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336983 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336987 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336988 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337010 JK Annotated Anodyne COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587337013 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587337015 JK Annotated Reactive C[C@]1(Cc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337032 JK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337033 JK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337034 JK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337035 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587337049 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587337056 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587337061 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337065 JK Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337082 JK Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337085 JK Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337091 JK Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337095 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587337098 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587337101 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587337104 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337156 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337164 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337169 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337177 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(I)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587337185 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(I)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587337196 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(I)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587337206 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(I)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587337214 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337222 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337225 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337229 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337235 JK Annotated Reactive Cc1cc([C@@]2(CN3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587337239 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337255 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337259 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587337264 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587337268 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337270 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337273 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587337274 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337275 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337282 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337283 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337284 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337285 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337287 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337290 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337294 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587337301 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337304 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587337305 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587337307 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587337309 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337315 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337316 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337317 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337319 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337333 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337334 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337336 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337340 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337342 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337343 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337350 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587337353 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587337360 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587337362 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587337365 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)[C@H]1c1ccc(F)cc1 ZINC000587337398 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)[C@@H]1c1ccc(F)cc1 ZINC000587337400 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)[C@@H]1c1ccc(F)cc1 ZINC000587337403 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)[C@H]1c1ccc(F)cc1 ZINC000587337407 JK Annotated Anodyne N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337409 JK Annotated Mild COc1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337411 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337412 JK Annotated Anodyne N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337415 JK Annotated Mild COc1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337416 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337418 JK Annotated Anodyne N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337419 JK Annotated Mild N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337435 JK Annotated Mild O=C=Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337441 JK Annotated Reactive O=C=Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337446 JK Annotated Reactive O=C=Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337449 JK Annotated Reactive O=C=Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337452 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587337480 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587337482 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587337484 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587337486 JK Annotated Reactive C[C@]1(Cc2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337510 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000587337511 JK Annotated Anodyne C[C@@]1(Cc2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337513 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000587337514 JK Annotated Anodyne C[C@@]1(Cc2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337515 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000587337517 JK Annotated Anodyne C[C@]1(Cc2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337518 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000587337521 JK Annotated Anodyne Nc1c([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587337537 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587337541 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587337542 JK Annotated Anodyne Nc1c([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587337543 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587337544 JK Annotated Anodyne Nc1c([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587337545 JK Annotated Anodyne Nc1c([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587337546 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587337548 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] ZINC000587337578 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] ZINC000587337579 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] ZINC000587337580 JK Annotated Bother O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] ZINC000587337581 JK Annotated Bother Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337582 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337583 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337584 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337585 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587337660 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587337662 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587337663 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587337665 JK Annotated Anodyne N#CC[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337725 JK Annotated Mild N#CC[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337726 JK Annotated Mild N#CC[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337728 JK Annotated Mild N#CC[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337729 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](C2CC2)([C@H](Br)c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587337731 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C2CC2)([C@H](Br)c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587337733 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C2CC2)([C@@H](Br)c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587337734 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C2CC2)([C@@H](Br)c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587337735 JK Annotated Reactive CCC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337737 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337739 JK Annotated Anodyne C[C@]1(c2cc(I)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337740 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337741 JK Annotated Anodyne C[C@@]1(c2cc(I)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337742 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337743 JK Annotated Anodyne C[C@]1(c2cc(I)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337744 JK Annotated Anodyne C[C@]1(c2c(F)ccc(Br)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337746 JK Annotated Anodyne C[C@@]1(c2cc(I)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337747 JK Annotated Anodyne C[C@]1(c2c(F)ccc(Br)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337748 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CCC1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337749 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CCC1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337751 JK Annotated Anodyne C[C@@]1(c2c(F)ccc(Br)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337753 JK Annotated Anodyne C[C@@]1(c2c(F)ccc(Br)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337755 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587337760 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587337764 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587337766 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587337768 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337784 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337791 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337793 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587337794 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337795 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587337798 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587337803 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587337809 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337828 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337832 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337838 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337841 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3c(F)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337845 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(F)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337850 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(F)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337854 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(F)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337859 JK Annotated Anodyne COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587337880 JK Annotated Reactive COc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587337884 JK Annotated Reactive COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587337891 JK Annotated Reactive COc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587337895 JK Annotated Reactive C[C@@]1(c2ccc(Oc3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337911 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337913 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337915 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337917 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337934 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337937 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337939 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337948 JK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338058 JK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338066 JK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338073 JK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338080 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COCc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338137 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COCc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338142 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COCc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338144 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COCc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338147 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338226 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338227 JK Annotated Bother COc1ccc([C@]2(Cc3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338230 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338231 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338241 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338242 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CCCN3Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587338261 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CCCN3Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587338263 JK Annotated Anodyne C[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338292 JK Annotated Anodyne C[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338293 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338298 JK Annotated Anodyne C[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338300 JK Annotated Anodyne C[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338301 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338307 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587338314 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338317 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587338319 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338320 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587338325 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587338328 JK Annotated Anodyne CN(C)CC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338335 JK Annotated Anodyne CN(C)CC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338338 JK Annotated Anodyne CN(C)CC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338342 JK Annotated Anodyne CN(C)CC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338346 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587338347 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587338355 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587338359 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587338364 JK Annotated Anodyne C[C@]1(c2cc(Br)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338369 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338372 JK Annotated Anodyne C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338374 JK Annotated Reactive C[C@]1(c2cc(Br)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338375 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338377 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338379 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338381 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338384 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338387 JK Annotated Anodyne C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338390 JK Annotated Reactive C[C@@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338391 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338393 JK Annotated Anodyne C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338394 JK Annotated Reactive C[C@@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338395 JK Annotated Anodyne C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338397 JK Annotated Reactive C[C@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338398 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)[C@H]1c1ccc(F)cc1 ZINC000587338411 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338414 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)[C@@H]1c1ccc(F)cc1 ZINC000587338415 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)[C@H]1c1ccc(F)cc1 ZINC000587338419 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)[C@@H]1c1ccc(F)cc1 ZINC000587338421 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587338423 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338424 JK Annotated Mild O=C1c2ccc(O)cc2OC2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587338426 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338429 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338432 JK Annotated Mild C=C(C)COCCNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338435 JK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338438 JK Annotated Mild C=C(C)COCCNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338442 JK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338444 JK Annotated Mild COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338459 JK Annotated Anodyne COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338462 JK Annotated Anodyne COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338468 JK Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338472 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338517 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587338530 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587338533 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587338535 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587338536 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338540 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@H]3CCCCO3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338544 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@H]3CCCCO3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338547 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587338573 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587338575 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587338578 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587338580 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587338582 JK Annotated Reactive CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(OCC#N)cc2O1 ZINC000587338583 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587338584 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587338585 JK Annotated Reactive CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(OCC#N)cc2O1 ZINC000587338586 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587338587 JK Annotated Reactive CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(OCC#N)cc2O1 ZINC000587338588 JK Annotated Mild Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587338589 JK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587338590 JK Annotated Reactive CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(OCC#N)cc2O1 ZINC000587338591 JK Annotated Mild Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587338592 JK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587338594 JK Annotated Reactive C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338597 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338599 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338601 JK Annotated Reactive C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338602 JK Annotated Reactive C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338609 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338611 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338613 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338615 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587338632 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587338636 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587338638 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587338640 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccccc4F)sc32)[C@H]1c1ccc(F)cc1 ZINC000587338668 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccccc4F)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587338669 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccccc4F)sc32)[C@H]1c1ccc(F)cc1 ZINC000587338670 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccccc4F)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587338671 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338697 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338701 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338729 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338732 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338736 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338738 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338746 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338748 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338750 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338753 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587338754 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587338756 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587338761 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587338763 JK Annotated Reactive CC(C)(C)OC(=O)NC1CC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338829 JK Annotated Anodyne CC(C)(C)OC(=O)NC1CC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338830 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338835 JK Annotated Bother C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338836 JK Annotated Bother C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338837 JK Annotated Bother C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338838 JK Annotated Bother C[C@@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338843 JK Annotated Anodyne C[C@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338844 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C2)[C@@H]1c1ccc(F)cc1 ZINC000587338845 JK Annotated Anodyne C[C@@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccc(F)cc1 ZINC000587338847 JK Annotated Anodyne C[C@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338848 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)[C@H]1c1ccc(F)cc1 ZINC000587338849 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C2)[C@H]1c1ccc(F)cc1 ZINC000587338851 JK Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338856 JK Annotated Anodyne CNc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587338860 JK Annotated Anodyne CNc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587338861 JK Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338862 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCCCC3)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338863 JK Annotated Anodyne CNc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587338864 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCCCC3)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338865 JK Annotated Anodyne CNc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587338866 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCCCC3)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338867 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCCCC3)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338868 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C2(CC2)C1 ZINC000587338870 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C2(CC2)C1 ZINC000587338871 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C2(CC2)C1 ZINC000587338872 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C2(CC2)C1 ZINC000587338873 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338875 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338877 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338879 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338882 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338917 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338918 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338966 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338972 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338975 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338978 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587339019 JK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587339026 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587339028 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587339030 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587339035 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587339041 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587339045 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587339046 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339066 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(I)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587339068 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339069 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339071 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCc3cc(I)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587339072 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339073 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCc3cc(I)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587339074 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(I)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587339076 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339102 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339104 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339106 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339109 JK Annotated Anodyne C[C@]1(c2c(Br)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339117 JK Annotated Anodyne C[C@]1(c2c(Br)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339122 JK Annotated Anodyne C[C@@]1(c2c(Br)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339124 JK Annotated Anodyne C[C@@]1(c2c(Br)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339128 JK Annotated Anodyne C#C[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339149 JK Annotated Mild C#C[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339154 JK Annotated Mild C#C[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339156 JK Annotated Mild C#C[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339158 JK Annotated Mild CC[C@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339160 JK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339162 JK Annotated Anodyne C[C@]1(c2ccc(I)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339163 JK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339167 JK Annotated Anodyne C[C@@]1(c2ccc(I)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339170 JK Annotated Anodyne C[C@@]1(c2ccc(I)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339171 JK Annotated Anodyne C[C@]1(c2ccc(I)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339172 JK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339174 JK Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339178 JK Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339180 JK Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339182 JK Annotated Anodyne C[C@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339183 JK Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339185 JK Annotated Anodyne C[C@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339188 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339191 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339195 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587339223 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587339229 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587339231 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587339235 JK Annotated Anodyne Cn1ccnc1[C@]1(c2nccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339241 JK Annotated Anodyne Cn1ccnc1[C@@]1(c2nccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339246 JK Annotated Anodyne Cn1ccnc1[C@@]1(c2nccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339250 JK Annotated Anodyne Cn1ccnc1[C@]1(c2nccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339253 JK Annotated Anodyne CN(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587339254 JK Annotated Anodyne CN(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587339256 JK Annotated Anodyne CN(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587339259 JK Annotated Anodyne CN(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587339265 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339290 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339291 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339292 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339293 JK Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587339308 JK Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587339309 JK Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587339310 JK Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587339311 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339325 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339326 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)c(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587339327 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339329 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)c(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587339330 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339332 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587339333 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587339334 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587339335 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587339336 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587339340 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587339341 JK Annotated Reactive CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339346 JK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339350 JK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339351 JK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339352 JK Annotated Anodyne N#Cc1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339376 JK Annotated Mild N#Cc1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339378 JK Annotated Mild N#Cc1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339382 JK Annotated Mild N#Cc1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339385 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)[C@@H]1c1ccc(F)cc1 ZINC000587339398 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)[C@@H]1c1ccc(F)cc1 ZINC000587339400 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)[C@H]1c1ccc(F)cc1 ZINC000587339402 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)[C@H]1c1ccc(F)cc1 ZINC000587339404 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339428 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339435 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339437 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339440 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339444 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339448 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339497 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339501 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339503 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339505 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339532 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339537 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339539 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339541 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339543 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339545 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339548 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339549 JK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339569 JK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339571 JK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339572 JK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339573 JK Annotated Anodyne N#Cc1ccc([C@@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339588 JK Annotated Mild C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339589 JK Annotated Bother CSc1cccc([C@@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339600 JK Annotated Anodyne Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339601 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339602 JK Annotated Bother CSc1cccc([C@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339603 JK Annotated Anodyne Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339605 JK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339606 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339607 JK Annotated Bother Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339609 JK Annotated Anodyne N#Cc1ccc([C@@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339610 JK Annotated Mild CSc1cccc([C@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339611 JK Annotated Anodyne Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339612 JK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339613 JK Annotated Bother N#Cc1ccc([C@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339615 JK Annotated Mild N#Cc1ccc([C@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339617 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587339618 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587339622 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587339627 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339629 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587339631 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339636 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339641 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339645 JK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339762 JK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587339764 JK Annotated Mild N#CCc1ccc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587339765 JK Annotated Mild N#CCc1ccc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587339767 JK Annotated Mild N#CCc1ccc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587339768 JK Annotated Mild Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339777 JK Annotated Anodyne Nc1ccccc1[C@]1(c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339779 JK Annotated Anodyne Nc1ccccc1[C@]1(c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339782 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587339800 JK Annotated Bother CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339801 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587339802 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587339803 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587339804 JK Annotated Bother CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339805 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339807 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339808 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1cccc2ncccc12 ZINC000587339865 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1cccc2ncccc12 ZINC000587339866 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1cccc2ncccc12 ZINC000587339867 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1cccc2ncccc12 ZINC000587339868 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)[C@H]1c1ccc(F)cc1 ZINC000587339941 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587339942 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587339963 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587339964 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339991 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339994 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339995 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339998 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587340000 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587340004 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587340010 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587340013 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587340020 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587340023 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587340026 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587340030 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340060 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340069 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340072 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340073 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340094 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340098 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340100 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340103 JK Annotated Anodyne Cc1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587340104 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](CCSc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340106 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587340109 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CCSc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340110 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587340112 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](CCSc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340113 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCSc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340114 JK Annotated Anodyne Cc1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587340115 JK Annotated Bother COc1cccc([C@@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340117 JK Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340118 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340119 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340120 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@H]1c1ccc(F)cc1 ZINC000587340136 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@H]1c1ccc(F)cc1 ZINC000587340145 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@@H]1c1ccc(F)cc1 ZINC000587340151 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@@H]1c1ccc(F)cc1 ZINC000587340152 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587340157 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587340168 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587340175 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587340179 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587340205 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587340208 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587340209 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587340210 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340233 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340235 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340237 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340239 JK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC ZINC000587340260 JK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC ZINC000587340263 JK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000587340266 JK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000587340269 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587340304 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587340307 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587340311 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587340313 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340352 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340354 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340356 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340360 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587340362 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587340363 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587340367 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587340369 JK Annotated Anodyne CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340414 JK Annotated Anodyne CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340416 JK Annotated Anodyne CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340417 JK Annotated Anodyne CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340418 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340445 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587340447 JK Annotated Bother CC(C)(C)OC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340448 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587340452 JK Annotated Bother CC(C)(C)OC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340453 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587340456 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587340459 JK Annotated Bother CC(C)(C)OC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340461 JK Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340464 JK Annotated Anodyne Cc1ccc2c(c1N)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340470 JK Annotated Anodyne Cc1ccc2c(c1N)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340476 JK Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340485 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340554 JK Annotated Anodyne COC(=O)CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340559 JK Annotated Anodyne COC(=O)CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340564 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340570 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587340573 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587340574 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587340575 JK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587340577 JK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587340580 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587340585 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587340589 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccccc1F ZINC000587340591 JK Annotated Reactive CN(C)/C=C/[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340616 JK Annotated Anodyne CN(C)/C=C/[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340623 JK Annotated Anodyne CN(C)/C=C/[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340626 JK Annotated Anodyne CN(C)/C=C/[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340631 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340652 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340662 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340665 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340667 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340682 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340690 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340693 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340696 JK Annotated Anodyne C[C@H](C#N)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340721 JK Annotated Mild C[C@H](C#N)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340725 JK Annotated Mild Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340726 JK Annotated Bother C[C@H](C#N)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340728 JK Annotated Mild Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340729 JK Annotated Bother C[C@H](C#N)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340731 JK Annotated Mild Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340732 JK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340735 JK Annotated Bother Cc1nc(-c2ccccc2F)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340773 JK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340775 JK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340777 JK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340780 JK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340785 JK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340790 JK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340792 JK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340795 JK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340798 JK Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340801 JK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340804 JK Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340806 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340807 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340809 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340827 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340830 JK Annotated Anodyne O=C(O)CN1c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587340847 JK Annotated Anodyne O=C(O)CN1c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587340858 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587340881 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587340882 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587340885 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587340888 JK Annotated Bother C[C@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340910 JK Annotated Anodyne C[C@@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340918 JK Annotated Anodyne C[C@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340924 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340926 JK Annotated Anodyne C[C@@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340927 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340929 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340931 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340939 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587340980 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587340985 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587340990 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587340994 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587340998 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587341014 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341015 JK Annotated Mild CC1CCN(CCC[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587341017 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587341021 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341027 JK Annotated Mild COc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341031 JK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341037 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341042 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341052 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341060 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341066 JK Annotated Mild N#CC[C@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341070 JK Annotated Mild N#CC[C@@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341071 JK Annotated Mild N#CC[C@@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341075 JK Annotated Mild N#CC[C@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341079 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587341088 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587341093 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587341094 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587341100 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CC[C@]23CCN(C(=O)OCc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587341151 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@]23CCN(C(=O)OCc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587341154 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@]23CCN(C(=O)OCc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587341158 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@]23CCN(C(=O)OCc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587341162 JK Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341181 JK Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341185 JK Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341192 JK Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341195 JK Annotated Anodyne Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587341263 JK Annotated Bother Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587341265 JK Annotated Bother Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587341266 JK Annotated Bother Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587341269 JK Annotated Bother COC(=O)c1ccnc([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587341315 JK Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587341317 JK Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587341319 JK Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587341322 JK Annotated Anodyne C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341360 JK Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341361 JK Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341363 JK Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341365 JK Annotated Mild CCN(C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587341385 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587341388 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587341390 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587341391 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341403 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341407 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587341421 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587341429 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587341432 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587341433 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3N(C[C@H]3CO3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587341447 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1cccnc1 ZINC000587341450 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1cccnc1 ZINC000587341452 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3N(C[C@@H]3CO3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587341453 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3N(C[C@@H]3CO3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587341456 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1cccnc1 ZINC000587341458 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1cccnc1 ZINC000587341459 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3N(C[C@H]3CO3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587341460 JK Annotated Anodyne C[C@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341465 JK Annotated Anodyne O=C(NCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587341466 JK Annotated Anodyne C[C@@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341469 JK Annotated Anodyne O=C(NCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587341472 JK Annotated Anodyne C[C@@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341479 JK Annotated Anodyne C[C@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341484 JK Annotated Anodyne O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341551 JK Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341555 JK Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341557 JK Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341561 JK Annotated Bother Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C/C(=O)O ZINC000587341633 JK Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C/C(=O)O ZINC000587341635 JK Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C\C(=O)O ZINC000587341636 JK Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C\C(=O)O ZINC000587341637 JK Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C#N)c(N)nc1O2 ZINC000587341729 JK Annotated Mild Cc1cc(C)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C#N)c(N)nc1O2 ZINC000587341732 JK Annotated Mild Cc1cc(C)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C#N)c(N)nc1O2 ZINC000587341735 JK Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C#N)c(N)nc1O2 ZINC000587341736 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(/C(=C\c3cccnc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587341737 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3cccnc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587341739 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3cccnc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587341740 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(/C(=C\c3cccnc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587341742 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587341783 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587341787 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587341789 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587341791 JK Annotated Anodyne CN(C)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341796 JK Annotated Anodyne CN(C)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341798 JK Annotated Anodyne CN(C)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341802 JK Annotated Anodyne CN(C)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341804 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341825 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341827 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341828 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341830 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341838 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341841 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)[C@H]1c1ccc(F)cc1 ZINC000587341843 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)[C@@H]1c1ccc(F)cc1 ZINC000587341846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)[C@@H]1c1ccc(F)cc1 ZINC000587341848 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)[C@H]1c1ccc(F)cc1 ZINC000587341850 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccc(F)cc1 ZINC000587341852 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccc(F)cc1 ZINC000587341854 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccc(F)cc1 ZINC000587341856 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccc(F)cc1 ZINC000587341858 JK Annotated Anodyne COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341860 JK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341862 JK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341864 JK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341866 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341870 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341871 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341873 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341875 JK Annotated Clean N#CC[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341897 JK Annotated Mild N#CC[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341898 JK Annotated Mild N#CC[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341899 JK Annotated Mild N#CC[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341900 JK Annotated Mild CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341901 JK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341902 JK Annotated Anodyne CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341903 JK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341904 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587341963 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587341965 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587341966 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587341967 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587341975 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587341977 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587341978 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587341979 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341991 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341992 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341993 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341994 JK Annotated Anodyne Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587342046 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587342047 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587342051 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587342054 JK Annotated Clean COCOc1cccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587342082 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587342084 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587342085 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587342087 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587342089 JK Annotated Bother O=C1c2ccc(O)cc2OC2(c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587342092 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587342103 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587342105 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587342108 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587342110 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342129 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342130 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342131 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342132 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587342277 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587342278 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587342280 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587342281 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cn1cccn1 ZINC000587342306 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cn1cccn1 ZINC000587342308 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cn1cccn1 ZINC000587342309 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cn1cccn1 ZINC000587342311 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCCC1 ZINC000587342322 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCCC1 ZINC000587342325 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCCC1 ZINC000587342328 JK Annotated Anodyne Cn1ccnc1COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342330 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCCC1 ZINC000587342331 JK Annotated Anodyne Cn1ccnc1COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342332 JK Annotated Anodyne CN1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587342333 JK Annotated Anodyne Cn1ccnc1COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342334 JK Annotated Anodyne Cn1ccnc1COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342335 JK Annotated Anodyne CN1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587342337 JK Annotated Anodyne CN1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587342340 JK Annotated Anodyne CN1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587342343 JK Annotated Anodyne N#CC[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342363 JK Annotated Mild N#CC[C@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342364 JK Annotated Mild N#CC[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342365 JK Annotated Mild N#CC[C@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342366 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@H]1c1ccc(F)cc1 ZINC000587342423 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@@H]1c1ccc(F)cc1 ZINC000587342424 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@H]1c1ccc(F)cc1 ZINC000587342425 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@@H]1c1ccc(F)cc1 ZINC000587342426 JK Annotated Bother C[C@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342443 JK Annotated Anodyne C[C@@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342444 JK Annotated Anodyne C[C@@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342445 JK Annotated Anodyne C[C@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342446 JK Annotated Anodyne O=C(O)Cn1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342471 JK Annotated Anodyne O=C(O)Cn1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342473 JK Annotated Anodyne O=C(O)Cn1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342475 JK Annotated Anodyne O=C(O)Cn1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342477 JK Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342484 JK Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342486 JK Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342487 JK Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342490 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342556 JK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342558 JK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342560 JK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342561 JK Annotated Mild CC(C)(C)OC(=O)N1CCC([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587342583 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587342584 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587342585 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587342586 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342595 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342596 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342597 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342598 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342611 JK Annotated Bother O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342612 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342613 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342614 JK Annotated Bother CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342627 JK Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342628 JK Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342629 JK Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342630 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000587342632 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000587342634 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000587342635 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000587342637 JK Annotated Bother Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342673 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342675 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342677 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342680 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342755 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342756 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342759 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342761 JK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342788 JK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342792 JK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342794 JK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342796 JK Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342846 JK Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342847 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587342873 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587342874 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587342876 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587342878 JK Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342910 JK Annotated Anodyne C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000587342913 JK Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342915 JK Annotated Anodyne C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000587342918 JK Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342961 JK Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342962 JK Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342963 JK Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342964 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342965 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342966 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342967 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342968 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587343096 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587343103 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587343109 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587343111 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccccc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587343150 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccccc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587343157 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccccc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587343160 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccccc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587343163 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343188 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343191 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343194 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343198 JK Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343233 JK Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343234 JK Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343237 JK Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343238 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587343271 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587343273 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587343274 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587343277 JK Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343280 JK Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343283 JK Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343286 JK Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343288 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1(C)C ZINC000587343308 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1(C)C ZINC000587343309 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1(C)C ZINC000587343310 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1(C)C ZINC000587343311 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343348 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343349 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343350 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343351 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343430 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343432 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343434 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343436 JK Annotated Anodyne Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3c(=O)c2c1 ZINC000587343518 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3c(=O)c2c1 ZINC000587343526 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3c(=O)c2c1 ZINC000587343528 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3c(=O)c2c1 ZINC000587343531 JK Annotated Bother C[C@@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343612 JK Annotated Anodyne C[C@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343614 JK Annotated Anodyne C[C@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343617 JK Annotated Anodyne C[C@@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343618 JK Annotated Anodyne C[C@@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343641 JK Annotated Anodyne C[C@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343649 JK Annotated Anodyne C[C@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343652 JK Annotated Anodyne C[C@@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343655 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCN2CCOCC2)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587343738 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587343740 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCN2CCOCC2)(c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587343747 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587343754 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343786 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343791 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343795 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343796 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]nc(Nc4ccccc4)c32)[C@H]1c1ccc(F)cc1 ZINC000587343817 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]nc(Nc4ccccc4)c32)[C@@H]1c1ccc(F)cc1 ZINC000587343822 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]nc(Nc4ccccc4)c32)[C@H]1c1ccc(F)cc1 ZINC000587343826 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]nc(Nc4ccccc4)c32)[C@@H]1c1ccc(F)cc1 ZINC000587343832 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343883 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343888 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343890 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343893 JK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587343894 JK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587343895 JK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587343896 JK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587343900 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343913 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343914 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343915 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343916 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343929 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343930 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343931 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343932 JK Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343983 JK Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343984 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343985 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343986 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343987 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343988 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343989 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343990 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343991 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343994 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343996 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343998 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344030 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344031 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344033 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344036 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344064 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344068 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344070 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344072 JK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344098 JK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344100 JK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344102 JK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344104 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344110 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344112 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344114 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344117 JK Annotated Mild Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587344150 JK Annotated Clean Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587344151 JK Annotated Clean Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587344153 JK Annotated Clean Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587344155 JK Annotated Clean Cn1c(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 ZINC000587344181 JK Annotated Anodyne Cn1c(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 ZINC000587344186 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344187 JK Annotated Anodyne Cn1c(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 ZINC000587344188 JK Annotated Anodyne Cn1c(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 ZINC000587344189 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344190 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344193 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344195 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344197 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344199 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344200 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344202 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587344206 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587344208 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587344209 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587344210 JK Annotated Bother CC(C)(C)OC(=O)N1CCC([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587344215 JK Annotated Mild CC(C)(C)OC(=O)N1CCC([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587344216 JK Annotated Mild CC(C)(C)OC(=O)N1CCC([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587344224 JK Annotated Mild CC(C)(C)OC(=O)N1CCC([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587344227 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344272 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587344274 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587344275 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344276 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344297 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344298 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344299 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344300 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587344359 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587344360 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587344361 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587344362 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(=O)c2c1 ZINC000587344376 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(=O)c2c1 ZINC000587344382 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(=O)c2c1 ZINC000587344389 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(=O)c2c1 ZINC000587344390 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344417 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344421 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344425 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344427 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344463 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344465 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344466 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344467 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344468 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344469 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344470 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344473 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344531 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344533 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344535 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344536 JK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344568 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344572 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344574 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344578 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587344648 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587344649 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587344650 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587344652 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344677 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344680 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344682 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344683 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(C#N)cc1 ZINC000587344749 JK Annotated Mild Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(C#N)cc1 ZINC000587344750 JK Annotated Mild Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(C#N)cc1 ZINC000587344753 JK Annotated Mild Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(C#N)cc1 ZINC000587344754 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587344792 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587344797 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587344799 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587344800 JK Annotated Anodyne CN(C)/C=C1\N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344846 JK Annotated Anodyne CN(C)/C=C1/N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344849 JK Annotated Anodyne CN(C)/C=C1/N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344853 JK Annotated Anodyne CN(C)/C=C1\N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344856 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344956 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344960 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587344963 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587344966 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587344986 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587344991 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587344993 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587344999 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345001 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345006 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345013 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345014 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345021 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345026 JK Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345028 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345029 JK Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345030 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345031 JK Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345032 JK Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345034 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345059 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345063 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345066 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345068 JK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587345107 JK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587345109 JK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587345111 JK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587345113 JK Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345115 JK Annotated Anodyne CCc1cccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn(CC(=O)O)c12 ZINC000587345116 JK Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345117 JK Annotated Anodyne CCc1cccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn(CC(=O)O)c12 ZINC000587345118 JK Annotated Anodyne CCc1cccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn(CC(=O)O)c12 ZINC000587345119 JK Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345121 JK Annotated Anodyne CCc1cccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn(CC(=O)O)c12 ZINC000587345122 JK Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345123 JK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345169 JK Annotated Anodyne C[C@H](C(=O)O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345172 JK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345173 JK Annotated Anodyne C[C@H](C(=O)O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345176 JK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345178 JK Annotated Anodyne C[C@H](C(=O)O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345180 JK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345181 JK Annotated Anodyne C[C@H](C(=O)O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345182 JK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345333 JK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345334 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587345335 JK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345336 JK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345338 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587345341 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587345342 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587345345 JK Annotated Anodyne C[C@H](Oc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587345433 JK Annotated Anodyne C[C@H](Oc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587345435 JK Annotated Anodyne C[C@H](Oc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587345439 JK Annotated Anodyne C[C@H](Oc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587345441 JK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587345471 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345475 JK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587345477 JK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587345479 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345480 JK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587345482 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345483 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345486 JK Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345506 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345507 JK Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345509 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345512 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCC(C)C ZINC000587345584 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCC(C)C ZINC000587345586 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCC(C)C ZINC000587345587 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCC(C)C ZINC000587345590 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345591 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345592 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345593 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345594 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587345597 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587345599 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587345601 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587345603 JK Annotated Anodyne C[C@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345621 JK Annotated Anodyne C[C@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345622 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345624 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345625 JK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345628 JK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345629 JK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345630 JK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345631 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345680 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345681 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345682 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345683 JK Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345684 JK Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345685 JK Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345686 JK Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345687 JK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345700 JK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345702 JK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345704 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345705 JK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345706 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345708 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345709 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345710 JK Annotated Anodyne CCOc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587345711 JK Annotated Anodyne CCOc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587345713 JK Annotated Anodyne CCOc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587345715 JK Annotated Anodyne CCOc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587345717 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345719 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345721 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345723 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345725 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3nc[nH]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000587345742 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3nc[nH]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000587345743 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3nc[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000587345745 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3nc[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000587345746 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345753 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345755 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345757 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345758 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587345762 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587345763 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587345764 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587345765 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345776 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345777 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345778 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345779 JK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345839 JK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345842 JK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345844 JK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345846 JK Annotated Anodyne CC(C)(C)OC(=O)CC1(CC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345873 JK Annotated Anodyne CC(C)(C)OC(=O)CC1(CC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345877 JK Annotated Anodyne CC(C)(C)c1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587345904 JK Annotated Anodyne CC(C)(C)c1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587345906 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345910 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345913 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345916 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345917 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345933 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345935 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345937 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345938 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345970 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccncc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587345973 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccncc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587345975 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345976 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345977 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccncc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587345979 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccncc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587345980 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345984 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345986 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345989 JK Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346003 JK Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346005 JK Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346009 JK Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346011 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346081 JK Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346087 JK Annotated Clean C[C@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346091 JK Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346095 JK Annotated Clean CC1CCN(c2ccc(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346097 JK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346099 JK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346102 JK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346106 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346116 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346119 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346121 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346123 JK Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587346132 JK Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587346133 JK Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587346135 JK Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587346136 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346158 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346161 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346164 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346165 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346167 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346169 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346239 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346240 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346241 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346242 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346291 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346293 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346296 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346297 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346331 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346333 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346334 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346339 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346354 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346355 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346357 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346359 JK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346372 JK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346376 JK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346382 JK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346385 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346481 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346490 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346493 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346496 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2/N3CCC(CC3)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587346503 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2/N3CCC(CC3)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587346507 JK Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(C)=O ZINC000587346511 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\N3CCC(CC3)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587346512 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\N3CCC(CC3)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587346514 JK Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(C)=O ZINC000587346516 JK Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(C)=O ZINC000587346518 JK Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(C)=O ZINC000587346520 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(OCc4ccccc4)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587346532 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(OCc4ccccc4)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587346538 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346578 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346579 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346580 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346582 JK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346595 JK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346598 JK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346599 JK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346601 JK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346667 JK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346670 JK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346672 JK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346674 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3N[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587346754 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3N[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587346756 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3N[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587346757 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3N[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587346759 JK Annotated Anodyne O=C(O)c1ccc2oc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1 ZINC000587346761 JK Annotated Anodyne O=C(O)c1ccc2oc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1 ZINC000587346765 JK Annotated Anodyne O=C(O)c1ccc2oc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1 ZINC000587346767 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346768 JK Annotated Anodyne O=C(O)c1ccc2oc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1 ZINC000587346770 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346771 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346773 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346775 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3CCc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587346795 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CCc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587346796 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3CCc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587346797 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CCc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587346800 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(OCc4ccccc4)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587346854 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(OCc4ccccc4)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587346857 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346866 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346871 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346873 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346878 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346881 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346884 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346888 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346890 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346926 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346927 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346928 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346929 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346930 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346931 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346932 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346933 JK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346962 JK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346963 JK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346965 JK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587346966 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587346970 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587346974 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587346977 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(-c4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587346980 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346985 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346987 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346990 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346992 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347009 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347010 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347011 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347012 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587347013 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587347015 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587347016 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587347018 JK Annotated Anodyne C[C@]1(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347020 JK Annotated Anodyne C[C@]1(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347021 JK Annotated Anodyne C[C@]1(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347022 JK Annotated Anodyne C[C@]1(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347023 JK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)C1 ZINC000587347093 JK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)C1 ZINC000587347101 JK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)C1 ZINC000587347102 JK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)C1 ZINC000587347109 JK Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587347124 JK Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587347127 JK Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587347129 JK Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587347131 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587347198 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587347200 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587347204 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587347207 JK Annotated Mild CC(C)c1ccc(C2(O)CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587347243 JK Annotated Anodyne CC(C)c1ccc(C2(O)CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587347247 JK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347259 JK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347261 JK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347269 JK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347271 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587347315 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587347318 JK Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347319 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587347320 JK Annotated Anodyne CCc1oc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1C(C)=O ZINC000587347321 JK Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347322 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587347323 JK Annotated Anodyne CCc1oc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1C(C)=O ZINC000587347325 JK Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347327 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347328 JK Annotated Anodyne CCc1oc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1C(C)=O ZINC000587347329 JK Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347330 JK Annotated Anodyne CCc1oc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1C(C)=O ZINC000587347331 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347334 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347336 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347337 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc1ccccc21 ZINC000587347339 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc1ccccc21 ZINC000587347346 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc1ccccc21 ZINC000587347349 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc1ccccc21 ZINC000587347352 JK Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347383 JK Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347384 JK Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347387 JK Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347389 JK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)ccc1O ZINC000587347391 JK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)ccc1O ZINC000587347392 JK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)ccc1O ZINC000587347393 JK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)ccc1O ZINC000587347396 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587347397 JK Annotated Mild CC1(C)CCC2=C(O1)c1ccccc1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587347399 JK Annotated Mild O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347400 JK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347401 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587347402 JK Annotated Mild O=C(O)CC[C@]1(CCC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347403 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347404 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587347405 JK Annotated Mild C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347419 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347422 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347425 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347428 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587347429 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587347430 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587347434 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587347435 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347452 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347453 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347456 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347458 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587347461 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587347469 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587347472 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587347474 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347479 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347482 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347483 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347484 JK Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347490 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587347492 JK Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347496 JK Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347497 JK Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347498 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347499 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347504 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347506 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587347507 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347508 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC=CCCCCCCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587347509 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC=CCCCCCCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587347512 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCC=CCCCCCCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587347514 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCC=CCCCCCCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587347515 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347533 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347534 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347535 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347538 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347597 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347603 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347604 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347606 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347612 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347613 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347666 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347668 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347669 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347670 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347733 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347736 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347737 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347739 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587347766 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587347769 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347770 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587347772 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347774 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587347775 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347777 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347779 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587347824 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587347827 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347864 JK Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347866 JK Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347870 JK Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347874 JK Annotated Clean CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347878 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347883 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347892 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347897 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347938 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347942 JK Annotated Anodyne COc1ccc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347946 JK Annotated Anodyne COc1ccc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347953 JK Annotated Anodyne COc1ccc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347957 JK Annotated Anodyne COc1ccc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347959 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347967 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347977 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347981 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347986 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348020 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348024 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348025 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348027 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587348030 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587348033 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587348035 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587348037 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348077 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348080 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348082 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348084 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348091 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348093 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348096 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348098 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348150 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348160 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348165 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348167 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)[C@@H]1c1ccc(F)cc1 ZINC000587348188 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)[C@H]1c1ccc(F)cc1 ZINC000587348200 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)[C@H]1c1ccc(F)cc1 ZINC000587348205 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)[C@@H]1c1ccc(F)cc1 ZINC000587348208 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348246 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348253 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348255 JK Annotated Anodyne CCCCCCCCCCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348258 JK Annotated Mild CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348260 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348264 JK Annotated Mild CCCCCCCCCCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348266 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348269 JK Annotated Mild COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCCC(=O)O ZINC000587348272 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCCC(=O)O ZINC000587348276 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCCC(=O)O ZINC000587348278 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCCC(=O)O ZINC000587348281 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348284 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348286 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348287 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348292 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587348301 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587348302 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587348303 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587348308 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc3cnccc23)[C@@H]1c1ccc(F)cc1 ZINC000587348317 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc3cnccc23)[C@H]1c1ccc(F)cc1 ZINC000587348322 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc3cnccc23)[C@H]1c1ccc(F)cc1 ZINC000587348325 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc3cnccc23)[C@@H]1c1ccc(F)cc1 ZINC000587348327 JK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587348357 JK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587348358 JK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587348360 JK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587348362 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348394 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000587348397 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348398 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000587348399 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348401 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348402 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000587348406 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000587348407 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587348414 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587348417 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587348419 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587348422 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587348499 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587348507 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587348508 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587348513 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCCCCCCCCCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587348524 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCCCCCCCCCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587348528 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cccc(O)c1C2=O ZINC000587348592 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1C2=O ZINC000587348603 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cccc(O)c1C2=O ZINC000587348610 JK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1C2=O ZINC000587348613 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587348625 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587348629 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587348631 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587348636 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348652 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348657 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348661 JK Annotated Anodyne O=C(C(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348664 JK Annotated Clean C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348665 JK Annotated Anodyne O=C(C(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348668 JK Annotated Clean O=C(C(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348669 JK Annotated Clean O=C(C(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348673 JK Annotated Clean O=C(O)c1ccc2c(c1)C1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C(=O)O)ccc1-2 ZINC000587348703 JK Annotated Anodyne O=C(O)c1ccc2c(c1)C1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C(=O)O)ccc1-2 ZINC000587348709 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587348713 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587348714 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587348715 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587348716 JK Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348722 JK Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348723 JK Annotated Anodyne O=C(CCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348745 JK Annotated Anodyne O=C(CCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348748 JK Annotated Anodyne O=C(CCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348755 JK Annotated Anodyne O=C(CCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587348758 JK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348779 JK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348787 JK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348793 JK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348795 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)[C@@H]1c1ccc(F)cc1 ZINC000587348803 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)[C@H]1c1ccc(F)cc1 ZINC000587348806 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)[C@@H]1c1ccc(F)cc1 ZINC000587348815 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)[C@H]1c1ccc(F)cc1 ZINC000587348820 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348826 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348829 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348830 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348834 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348837 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348839 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348840 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348846 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348847 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348851 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348852 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348856 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc21 ZINC000587348903 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348906 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348910 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587348911 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc21 ZINC000587348912 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348915 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc21 ZINC000587348916 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587348919 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348920 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc21 ZINC000587348922 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587348930 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587348935 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348968 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348972 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348975 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc1-2 ZINC000587348977 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348981 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc1-2 ZINC000587348983 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3ccccc3n2)[C@@H]1c1ccc(F)cc1 ZINC000587349046 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3ccccc3n2)[C@H]1c1ccc(F)cc1 ZINC000587349048 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3ccccc3n2)[C@H]1c1ccc(F)cc1 ZINC000587349049 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3ccccc3n2)[C@@H]1c1ccc(F)cc1 ZINC000587349050 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587349100 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587349106 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587349108 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587349110 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587349184 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587349186 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587349188 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCCCC1 ZINC000587349190 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587349193 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587349196 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587349198 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587349202 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc1-2 ZINC000587349212 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349215 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc1-2 ZINC000587349216 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349219 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349223 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349225 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349241 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349248 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349252 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349253 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349258 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349261 JK Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349262 JK Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349263 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349264 JK Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349265 JK Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349269 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349275 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349281 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349287 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349292 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349296 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349299 JK Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349300 JK Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349305 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349309 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2N[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587349311 JK Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349312 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349313 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349316 JK Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349322 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2N[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587349325 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2N[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587349333 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2N[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587349337 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349345 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349350 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349354 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349356 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349382 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349389 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349393 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349398 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587349404 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587349408 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587349411 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587349417 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587349488 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587349494 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587349497 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587349501 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349517 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349526 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349543 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349547 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349554 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349557 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349561 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349562 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349568 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349569 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349571 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349573 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349574 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349577 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349580 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349581 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349591 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349602 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349621 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349625 JK Annotated Anodyne C=CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587349626 JK Annotated Mild Cc1ccc(-c2ccc(OC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349629 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587349631 JK Annotated Anodyne C=CCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587349636 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587349641 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587349648 JK Annotated Mild CCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCCC)c1 ZINC000587349650 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCCC)c1 ZINC000587349655 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349658 JK Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCCC)c1 ZINC000587349660 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCCC)c1 ZINC000587349664 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349669 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587349670 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349679 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587349685 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349689 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349693 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587349695 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587349703 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349705 JK Annotated Anodyne C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349708 JK Annotated Clean O=C(O)CC[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349711 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349712 JK Annotated Anodyne C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349714 JK Annotated Clean O=C(O)CC[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349718 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349721 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349722 JK Annotated Clean O=C(O)CC[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349723 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349725 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587349726 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349728 JK Annotated Clean O=C(O)CC[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349729 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000587349732 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@H](C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587349734 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349735 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349738 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587349740 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000587349741 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587349743 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349744 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@H](C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587349747 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349749 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587349753 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349756 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349760 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349764 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349767 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349774 JK Annotated Anodyne O=C(O)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349781 JK Annotated Anodyne O=C(O)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349787 JK Annotated Anodyne O=C(O)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349792 JK Annotated Anodyne O=C(O)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349800 JK Annotated Anodyne O=C(O)Cc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349808 JK Annotated Anodyne O=C(O)Cc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349811 JK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349819 JK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349822 JK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349824 JK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349826 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349855 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349856 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349857 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349858 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349879 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349881 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349884 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349887 JK Annotated Anodyne O=C(O)Cc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349918 JK Annotated Anodyne O=C(O)Cc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349920 JK Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349921 JK Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349930 JK Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349937 JK Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349940 JK Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349956 JK Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349961 JK Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349964 JK Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349966 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349987 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349999 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350005 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350016 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(C#Cc4ccccc4)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587350086 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(C#Cc4ccccc4)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587350095 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(C#Cc4ccccc4)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587350104 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(C#Cc4ccccc4)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587350109 JK Annotated Mild Cc1cc(C)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587350161 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587350171 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587350177 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350182 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587350183 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350200 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350201 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350207 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350211 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587350216 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350217 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350221 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587350223 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587350231 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350236 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587350237 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350243 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350246 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350248 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350255 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350258 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350262 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350267 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350272 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350285 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350291 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350308 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350315 JK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350323 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587350325 JK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350327 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350328 JK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350332 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587350334 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350337 JK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350338 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350342 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350349 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587350375 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587350379 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587350384 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587350390 JK Annotated Bother CC1(C)c2ccccc2-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587350463 JK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587350475 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587350476 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587350480 JK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587350481 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587350484 JK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587350485 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587350487 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350505 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350513 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350516 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350519 JK Annotated Mild CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350547 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350549 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350551 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350554 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350582 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350583 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350584 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350585 JK Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350626 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350627 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350628 JK Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350629 JK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350630 JK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350673 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350676 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350677 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350679 JK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350681 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350682 JK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350683 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350703 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350711 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350717 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350723 JK Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350726 JK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350730 JK Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350731 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@H]1c1ccc(F)cc1 ZINC000587350732 JK Annotated Bother CC(C)=CCOc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350734 JK Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350735 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350736 JK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350739 JK Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350740 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@@H]1c1ccc(F)cc1 ZINC000587350742 JK Annotated Bother CC(C)=CCOc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350743 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350745 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350748 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@@H]1c1ccc(F)cc1 ZINC000587350749 JK Annotated Bother COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350756 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350759 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@H]2c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587350760 JK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@H]1c1ccc(F)cc1 ZINC000587350761 JK Annotated Bother Cc1ccc(C[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350764 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350766 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@H]2c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587350769 JK Annotated Clean Cc1ccc(C[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350770 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@@H]2c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587350777 JK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3ccccc3cc21 ZINC000587350779 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587350783 JK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3ccccc3cc21 ZINC000587350785 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3ccccc3cc21 ZINC000587350796 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3ccccc3cc21 ZINC000587350804 JK Annotated Anodyne C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350830 JK Annotated Bother COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350837 JK Annotated Anodyne C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350843 JK Annotated Bother COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350848 JK Annotated Anodyne C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350851 JK Annotated Bother COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350852 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350854 JK Annotated Anodyne C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350857 JK Annotated Bother COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350861 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350862 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350863 JK Annotated Mild CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350869 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350871 JK Annotated Mild CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350873 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350878 JK Annotated Mild COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350879 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350882 JK Annotated Mild COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350884 JK Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350891 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350893 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587350896 JK Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350898 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350899 JK Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350902 JK Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350907 JK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350908 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587350909 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587350917 JK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350923 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587350924 JK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350930 JK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350934 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350971 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350974 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350978 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350981 JK Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587350999 JK Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587351003 JK Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587351007 JK Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587351011 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C)(C)C[C@@H](C)C2(C)C ZINC000587351025 JK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587351030 JK Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587351034 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C)(C)C[C@@H](C)C2(C)C ZINC000587351038 JK Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587351040 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C)(C)C[C@H](C)C2(C)C ZINC000587351044 JK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587351045 JK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351052 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C)(C)C[C@H](C)C2(C)C ZINC000587351053 JK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351055 JK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351058 JK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351061 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351103 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351106 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351110 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351112 JK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587351141 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587351150 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587351153 JK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587351154 JK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587351232 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587351233 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587351234 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587351235 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587351236 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587351237 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587351238 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587351239 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351303 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351310 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351311 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351312 JK Annotated Anodyne CCCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587351315 JK Annotated Anodyne CCCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587351316 JK Annotated Anodyne CCCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587351318 JK Annotated Anodyne CCCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587351320 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587351377 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587351379 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587351381 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587351385 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351403 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351406 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351411 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351417 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351438 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351445 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351453 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351457 JK Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351508 JK Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351512 JK Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351519 JK Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351523 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351654 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351660 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351662 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351664 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587351667 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587351668 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587351669 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587351670 JK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587351684 JK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587351686 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351721 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351724 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351725 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351726 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351772 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351773 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351774 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587351775 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587351776 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587351777 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587351778 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351780 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351823 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351825 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351826 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351828 JK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351841 JK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351849 JK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351854 JK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351857 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351861 JK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351865 JK Annotated Mild C[C@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351867 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351869 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351871 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351872 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351875 JK Annotated Anodyne CCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351877 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351881 JK Annotated Mild COC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351882 JK Annotated Anodyne CCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351884 JK Annotated Mild COC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351889 JK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351890 JK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351891 JK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351893 JK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351896 JK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351897 JK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351899 JK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351900 JK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351902 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351929 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351932 JK Annotated Anodyne C[C@@]1(c2ccc(CCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351934 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351937 JK Annotated Anodyne C[C@@]1(c2ccc(CCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351939 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351940 JK Annotated Anodyne C[C@]1(c2ccc(CCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351945 JK Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351946 JK Annotated Anodyne C[C@]1(c2ccc(CCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351948 JK Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351951 JK Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351958 JK Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351966 JK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352129 JK Annotated Anodyne O=C(O)c1ccccc1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352130 JK Annotated Anodyne O=C(O)c1ccccc1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352133 JK Annotated Anodyne O=C(O)c1ccccc1C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352134 JK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352135 JK Annotated Anodyne O=C(O)c1ccccc1C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352137 JK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352138 JK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352140 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587352167 JK Annotated Anodyne C[C@]1(c2ccccc2OC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352180 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587352181 JK Annotated Anodyne C[C@]1(c2ccccc2OC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352189 JK Annotated Anodyne C[C@@]1(c2ccccc2OC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352192 JK Annotated Anodyne C[C@@]1(c2ccccc2OC(=O)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352194 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352210 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352212 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352214 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352216 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352218 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352220 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352221 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352228 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2coc3ccc(O)cc23)[C@H]1c1ccc(F)cc1 ZINC000587352237 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2coc3ccc(O)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587352240 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2coc3ccc(O)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587352241 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2coc3ccc(O)cc23)[C@H]1c1ccc(F)cc1 ZINC000587352243 JK Annotated Anodyne CCCCOC1=C(OCCCC)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587352268 JK Annotated Mild CCCCOC1=C(OCCCC)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587352269 JK Annotated Mild CCCCOC1=C(OCCCC)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587352270 JK Annotated Mild CCCCOC1=C(OCCCC)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587352271 JK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587352318 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587352320 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(C(=O)c2ccccc2)(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587352329 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(C(=O)c2ccccc2)(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587352331 JK Annotated Anodyne CCCCCCCC1(CCCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352337 JK Annotated Mild CCCCCCCC1(CCCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352339 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352341 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352351 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587352362 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587352365 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587352367 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587352369 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352389 JK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352392 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352394 JK Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352396 JK Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352398 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352399 JK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352401 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352402 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352429 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352432 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352433 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352435 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352459 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352460 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352461 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352462 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352512 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352518 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352520 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352523 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587352528 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C(=O)O)C1 ZINC000587352529 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C(=O)O)C1 ZINC000587352533 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587352536 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352539 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352543 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352546 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352549 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352551 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352552 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352554 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352555 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587352579 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587352581 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587352583 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587352585 JK Annotated Anodyne O=C(O)[C@@H]1CC=CC[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352615 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352616 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352618 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352619 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2CC=CC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587352620 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352621 JK Annotated Anodyne O=C(O)[C@@H]1CC=CC[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352622 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CC=CC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587352625 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 ZINC000587352642 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 ZINC000587352645 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 ZINC000587352647 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 ZINC000587352649 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352665 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352667 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352669 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352670 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352673 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352675 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352678 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352681 JK Annotated Anodyne O=C(O)c1ccc(C2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352686 JK Annotated Anodyne O=C(O)c1ccc(C2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352688 JK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352690 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352691 JK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352692 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352693 JK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352694 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352695 JK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352696 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352698 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352703 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352704 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352705 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352706 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352732 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352736 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352739 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587352741 JK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352887 JK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352888 JK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352889 JK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352892 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352925 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352928 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352930 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352933 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587352944 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587352946 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587352948 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587352950 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352978 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352981 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352984 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352987 JK Annotated Anodyne CCCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353005 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353008 JK Annotated Mild CCCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353009 JK Annotated Mild CCCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353012 JK Annotated Mild C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353113 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353115 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353119 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353124 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353136 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353140 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353143 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587353144 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353145 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587353149 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587353153 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587353156 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353220 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353223 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353225 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353229 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353268 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353272 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353273 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353275 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353276 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353278 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353279 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353281 JK Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353315 JK Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353316 JK Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353318 JK Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353320 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353330 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353332 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353334 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C2(O)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587353339 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353341 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C2(O)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587353343 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C2(O)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587353346 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C2(O)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587353348 JK Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353372 JK Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353375 JK Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353377 JK Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353379 JK Annotated Anodyne O=C1Nc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587353410 JK Annotated Anodyne O=C1Nc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587353413 JK Annotated Anodyne O=C1Nc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587353414 JK Annotated Anodyne O=C1Nc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587353415 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587353592 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587353595 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353596 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353597 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587353598 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353599 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353600 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353602 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587353605 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353608 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353611 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353613 JK Annotated Anodyne O=C(CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587353673 JK Annotated Anodyne O=C(CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587353677 JK Annotated Anodyne O=C(CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587353680 JK Annotated Anodyne O=C(CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587353690 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353711 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353716 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353720 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353722 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353803 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353806 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353807 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353808 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353851 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353853 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353857 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587353859 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc3ccccc3c21 ZINC000587353865 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc3ccccc3c21 ZINC000587353868 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc3ccccc3c21 ZINC000587353869 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc3ccccc3c21 ZINC000587353871 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353918 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587353919 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353921 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2CCCC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587353923 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353925 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353927 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587353930 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587353933 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353970 JK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353972 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353974 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353976 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353991 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353994 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353996 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353998 JK Annotated Anodyne O=C(O)c1ccc([C@]2(c3cccc(O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354011 JK Annotated Anodyne O=C(O)c1ccc([C@]2(c3cccc(O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354013 JK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cccc(O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354014 JK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cccc(O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354015 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587354030 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587354032 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C)(C)[C@@H](C)C2(C)C ZINC000587354035 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587354037 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587354039 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C)(C)[C@H](C)C2(C)C ZINC000587354043 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C)(C)[C@H](C)C2(C)C ZINC000587354047 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C)(C)[C@@H](C)C2(C)C ZINC000587354048 JK Annotated Anodyne O=C(CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354064 JK Annotated Anodyne O=C(CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354067 JK Annotated Anodyne O=C(CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354068 JK Annotated Anodyne O=C(CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354071 JK Annotated Anodyne Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCc2ccccc2)c1 ZINC000587354136 JK Annotated Anodyne Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCc2ccccc2)c1 ZINC000587354137 JK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCc2ccccc2)c1 ZINC000587354139 JK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCc2ccccc2)c1 ZINC000587354140 JK Annotated Anodyne C[C@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354154 JK Annotated Clean C[C@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354155 JK Annotated Clean C[C@@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354156 JK Annotated Clean C[C@@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354157 JK Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000587354184 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000587354185 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000587354186 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000587354187 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354197 JK Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354201 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354202 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354203 JK Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354204 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354205 JK Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354206 JK Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354207 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354275 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354288 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354293 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354296 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354299 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354300 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354303 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354306 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(O)ccc3Oc3cccc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587354345 JK Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354347 JK Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354351 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(O)ccc3Oc3cccc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587354352 JK Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354355 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(O)ccc3Oc3cccc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587354357 JK Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354361 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(O)ccc3Oc3cccc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587354364 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@@H]1c1ccc(F)cc1 ZINC000587354376 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@H]1c1ccc(F)cc1 ZINC000587354383 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@H]1c1ccc(F)cc1 ZINC000587354388 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@@H]1c1ccc(F)cc1 ZINC000587354392 JK Annotated Bother O=C(O)CC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354395 JK Annotated Anodyne O=C(O)CC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354397 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354400 JK Annotated Anodyne O=C(O)CC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354403 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Oc4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587354456 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Oc4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587354463 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587354465 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587354468 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c1)CCC2(C)C ZINC000587354477 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c1)CCC2(C)C ZINC000587354491 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c1)CCC2(C)C ZINC000587354497 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c1)CCC2(C)C ZINC000587354505 JK Annotated Anodyne CC1(C)COC2(C[C@@H]3CC4(C[C@H]3C2)Oc2cc(O)ccc2C(=O)[C@@H]4c2ccc(F)cc2)OC1 ZINC000587354566 JK Annotated Anodyne CC1(C)COC2(C[C@@H]3CC4(C[C@H]3C2)Oc2cc(O)ccc2C(=O)[C@H]4c2ccc(F)cc2)OC1 ZINC000587354572 JK Annotated Anodyne CC1(C)COC2(C[C@@H]3C[C@@]4(C[C@@H]3C2)Oc2cc(O)ccc2C(=O)[C@@H]4c2ccc(F)cc2)OC1 ZINC000587354573 JK Annotated Anodyne CC1(C)COC2(C[C@@H]3C[C@@]4(C[C@@H]3C2)Oc2cc(O)ccc2C(=O)[C@H]4c2ccc(F)cc2)OC1 ZINC000587354574 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587354595 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587354598 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587354599 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587354604 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354609 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354611 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354613 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354614 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354616 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354617 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354618 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354621 JK Annotated Anodyne CCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354633 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354634 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354635 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354636 JK Annotated Mild CCCc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354683 JK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354684 JK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354685 JK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354686 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354732 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354733 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354735 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354739 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1ccccc1 ZINC000587354740 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1ccccc1 ZINC000587354744 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1ccccc1 ZINC000587354747 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1ccccc1 ZINC000587354750 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H](c3ccccc3)CCC[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587354766 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H](c3ccccc3)CCC[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587354769 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@H](c3ccccc3)CCC[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587354772 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@H](c3ccccc3)CCC[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587354775 JK Annotated Anodyne CCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354795 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354803 JK Annotated Mild CCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354805 JK Annotated Mild CCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354809 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587354821 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587354827 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587354834 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587354836 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587354848 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587354854 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587354859 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587354867 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587354880 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354881 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354882 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587354884 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354885 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354888 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587354889 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587354891 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587354893 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587354898 JK Annotated Anodyne O=C(C#C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354909 JK Annotated Mild O=C(C#C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354920 JK Annotated Mild O=C(C#C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354922 JK Annotated Mild O=C(C#C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587354928 JK Annotated Mild CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354946 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354948 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354955 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354960 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587355039 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587355041 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587355044 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587355046 JK Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355078 JK Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355082 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@H]1c1ccc(F)cc1 ZINC000587355091 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@H]1c1ccc(F)cc1 ZINC000587355092 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@@H]1c1ccc(F)cc1 ZINC000587355093 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@@H]1c1ccc(F)cc1 ZINC000587355094 JK Annotated Bother Cc1cc(C)c([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355095 JK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355096 JK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355097 JK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355098 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355103 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355104 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355105 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355106 JK Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355116 JK Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355118 JK Annotated Anodyne CC(C)(C1CCC(=O)CC1)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355121 JK Annotated Anodyne CC(C)(C1CCC(=O)CC1)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355122 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587355146 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587355147 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587355153 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587355154 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355182 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355185 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355190 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355193 JK Annotated Anodyne CC1(C)c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587355239 JK Annotated Anodyne CC1(C)c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587355244 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587355248 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587355251 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587355254 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587355257 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355261 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(O)cc3OC[C@H]2c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355264 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(O)cc3OC[C@@H]2c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355266 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(O)cc3OC[C@@H]2c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355269 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355302 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355306 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355309 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355313 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355344 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355345 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355347 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355349 JK Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355414 JK Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355416 JK Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355417 JK Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355418 JK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355458 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355459 JK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355460 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355461 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587355466 JK Annotated Anodyne O=C(O)[C@@H]1CCC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587355467 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587355468 JK Annotated Anodyne O=C(O)[C@@H]1CCC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587355469 JK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355489 JK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355490 JK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355492 JK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355496 JK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355500 JK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355504 JK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355507 JK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355511 JK Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355524 JK Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355527 JK Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355529 JK Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355532 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587355595 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355596 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355597 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355598 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587355599 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355601 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355620 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355623 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355626 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355629 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355644 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355646 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355649 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355652 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2c2ccccc2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587355692 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587355694 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2c2ccccc2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587355696 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587355698 JK Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587355738 JK Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587355739 JK Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587355740 JK Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587355741 JK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355746 JK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355747 JK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355748 JK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355749 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355750 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355751 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355752 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355753 JK Annotated Anodyne C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355754 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355755 JK Annotated Anodyne C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355756 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355757 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355760 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355761 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355762 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355763 JK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355818 JK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355819 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355820 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355821 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355898 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355899 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355900 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355901 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587355906 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587355907 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587355908 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587355909 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587355932 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587355933 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587355934 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587355935 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)[C@H]1c1ccc(F)cc1 ZINC000587355948 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)[C@@H]1c1ccc(F)cc1 ZINC000587355949 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)[C@H]1c1ccc(F)cc1 ZINC000587355950 JK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)[C@@H]1c1ccc(F)cc1 ZINC000587355951 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355960 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587355961 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587355962 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355963 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355968 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355969 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355970 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355971 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355984 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355985 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355986 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587355987 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356022 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356023 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356024 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356025 JK Annotated Anodyne C[C@@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356042 JK Annotated Anodyne C[C@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356043 JK Annotated Anodyne C[C@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356044 JK Annotated Anodyne C[C@@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356045 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356046 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356047 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356048 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356049 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2O[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356112 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2O[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356113 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2O[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356114 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2O[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356115 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587356120 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587356121 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587356122 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587356123 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356144 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356145 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356146 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356147 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccc(O)cc3Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356152 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccc(O)cc3Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587356153 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc12 ZINC000587356162 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc12 ZINC000587356163 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc12 ZINC000587356164 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc12 ZINC000587356165 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cccc4ccc5ccc6cccc2c6c5c34)[C@H]1c1ccc(F)cc1 ZINC000587356190 JK Annotated Bother O=C1c2ccc(O)cc2OC2(c3cccc4ccc5ccc6cccc2c6c5c34)[C@@H]1c1ccc(F)cc1 ZINC000587356191 JK Annotated Bother CCCCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356236 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356237 JK Annotated Anodyne CCCCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356238 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356239 JK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356250 JK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356251 JK Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356252 JK Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356253 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356297 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356305 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356309 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356315 JK Annotated Anodyne CCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356361 JK Annotated Mild CCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356365 JK Annotated Mild CCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356369 JK Annotated Mild CC1=C(c2ccccc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356373 JK Annotated Anodyne CCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356375 JK Annotated Mild CC1=C(c2ccccc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356376 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356377 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356380 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587356381 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587356384 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587356386 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587356387 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356404 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356407 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356410 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587356412 JK Annotated Anodyne C=C1CC([C@@]2(CCCCC3OCCO3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587356479 JK Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587356480 JK Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587356486 JK Annotated Mild C=C1CC([C@@]2(CCCCC3OCCO3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587356487 JK Annotated Mild Cc1ccc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587356518 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587356520 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587356523 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587356525 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587356598 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356599 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587356600 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356601 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587356634 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587356635 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587356637 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587356643 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356653 JK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356656 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356657 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356658 JK Annotated Clean C[C@]1(c2coc3c2cc(O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356700 JK Annotated Anodyne C[C@]1(c2coc3c2cc(O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356702 JK Annotated Anodyne C[C@@]1(c2coc3c2cc(O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356703 JK Annotated Anodyne C[C@@]1(c2coc3c2cc(O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356706 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356732 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356733 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356734 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356736 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc(OC)c2Br)C3)c1 ZINC000587356799 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2C(C)(C)C3)c1 ZINC000587356832 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587356838 JK Annotated Bother COc1cccc(-c2cc(-c3c(Cl)c(Cl)cc4c3OCCO4)nc3c2oc2ccccc23)c1 ZINC000587356842 JK Annotated Anodyne COc1cccc(-c2c(CCOc3ccc(Cl)c(C)c3)c(C)nc3c2oc2ccccc23)c1 ZINC000587356843 JK Annotated Anodyne COc1cccc(-c2c(CCCl)c(-c3ccc(C(C)(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587356846 JK Annotated Reactive COc1cccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587356869 JK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c4cc(Br)ccc34)nc3c2oc2ccccc23)c1 ZINC000587356871 JK Annotated Anodyne CCCCc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587356879 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)ccc(OC)c2C3)c1 ZINC000587356881 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(Cl)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587356883 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(Br)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587356886 JK Annotated Bother COc1cccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587356887 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(C)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587356912 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(Cl)c(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587356914 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(C)ccc(Br)c2C3)c1 ZINC000587356916 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356917 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3O)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356919 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3O)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356920 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356921 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccccc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587356940 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccccc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356942 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccccc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356943 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccccc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587356944 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3NC(=O)CCl)OCO4)nc3c2oc2ccccc23)c1 ZINC000587356953 JK Annotated Reactive COc1cccc(-c2cc(-c3cc(Br)cc4cc[nH]c34)nc3c2oc2ccccc23)c1 ZINC000587356966 JK Annotated Anodyne COc1cccc(-c2cc(-c3oc4ccccc4c3Br)nc3c2oc2ccccc23)c1 ZINC000587356967 JK Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587356970 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(Br)cc4c2CC3)c1 ZINC000587356978 JK Annotated Anodyne COc1cccc(-c2c(C3CC3)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587356983 JK Annotated Anodyne COc1cccc(-c2c(Cc3c[nH]c4ccc(Br)cc34)c(C)nc3c2oc2ccccc23)c1 ZINC000587356984 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357013 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357014 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357015 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357016 JK Annotated Anodyne CCc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587357020 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)N(C)Cc3cccc(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587357021 JK Annotated Anodyne COc1cccc(-c2cc(/C(=C/N(C)C)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357036 JK Annotated Anodyne COc1cccc(-c2cc(/C(=C\N(C)C)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357040 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2CC3)c1 ZINC000587357044 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4cc(Br)ccc4o3)nc3c2oc2ccccc23)c1 ZINC000587357050 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357081 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357083 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357084 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357086 JK Annotated Mild CC(C)(C)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)cc1O ZINC000587357164 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)cc1O ZINC000587357166 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)cc1O ZINC000587357167 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)cc1O ZINC000587357169 JK Annotated Anodyne CC1(C)C[C@H]([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCO1 ZINC000587357179 JK Annotated Anodyne CC1(C)C[C@H]([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCO1 ZINC000587357181 JK Annotated Anodyne CC1(C)C[C@H]([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCO1 ZINC000587357185 JK Annotated Anodyne CC1(C)C[C@H]([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCO1 ZINC000587357186 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587357192 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587357194 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587357196 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587357197 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587357201 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587357202 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587357203 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587357204 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587357205 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587357206 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587357207 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587357208 JK Annotated Anodyne C=CCc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587357217 JK Annotated Mild O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cccc21 ZINC000587357218 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cccc21 ZINC000587357219 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(Br)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587357220 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cccc21 ZINC000587357222 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cccc21 ZINC000587357225 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(Br)cc2)c1 ZINC000587357227 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(Br)cc2)c1 ZINC000587357228 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587357256 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@H]2c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587357258 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@H]2c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587357260 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@@H]2c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587357262 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3O[C@@H]2c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587357266 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccccc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587357279 JK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(Cc3ccc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587357280 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccccc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587357284 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccccc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587357285 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccccc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587357287 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cnc3Cl)nc3c2oc2ccccc23)c1 ZINC000587357290 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3c(C)cccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587357295 JK Annotated Anodyne COc1cccc(-c2c(CC3OCCCO3)c(-c3cccc(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587357296 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)ccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587357320 JK Annotated Bother COc1cccc(-c2c(CCCl)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587357322 JK Annotated Reactive COc1cccc(-c2cc(-c3cc4cccc(Br)c4o3)nc3c2oc2ccccc23)c1 ZINC000587357325 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2OCC3)c1 ZINC000587357331 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357339 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357340 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357341 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357343 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)c(Br)cc2C3)c1 ZINC000587357344 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc4nc(N)oc34)nc3c2oc2ccccc23)c1 ZINC000587357352 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccnc4cc(Br)ccc34)nc3c2oc2ccccc23)c1 ZINC000587357357 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4ccc(Br)cc4oc3=O)nc3c2oc2ccccc23)c1 ZINC000587357359 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587357384 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc(OC)c2Br)CC3)c1 ZINC000587357390 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3Br)OCCO4)nc3c2oc2ccccc23)c1 ZINC000587357399 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc([N+](=O)[O-])c(Br)cc2C3)c1 ZINC000587357405 JK Annotated Bother CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357411 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357413 JK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587357425 JK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c4ccc(Br)cc4c3=N)nc3c2oc2ccccc23)c1 ZINC000587357430 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587357432 JK Annotated Anodyne COc1cccc(-c2cc(-c3oc4ccccc4c3NC(=O)[C@H](C)Cl)nc3c2oc2ccccc23)c1 ZINC000587357437 JK Annotated Reactive COc1cccc(-c2cc(-c3oc4ccccc4c3NC(=O)[C@@H](C)Cl)nc3c2oc2ccccc23)c1 ZINC000587357438 JK Annotated Reactive CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357449 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357450 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587357465 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587357466 JK Annotated Anodyne C[C@@H]1C[C@@H](C(C)(C)C)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C(C)(C)C)C1 ZINC000587357471 JK Annotated Anodyne C[C@@H]1C[C@@H](C(C)(C)C)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C(C)(C)C)C1 ZINC000587357472 JK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C(C)(C)C)C1 ZINC000587357473 JK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C(C)(C)C)C1 ZINC000587357474 JK Annotated Anodyne CC1([C@]2(CCc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000587357499 JK Annotated Anodyne CC1([C@@]2(CCc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000587357500 JK Annotated Anodyne CC1([C@@]2(CCc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000587357501 JK Annotated Anodyne CC1([C@]2(CCc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000587357502 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357517 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357520 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357522 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357524 JK Annotated Anodyne CCCCCCCCCCCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357577 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357578 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357582 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357584 JK Annotated Mild CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357609 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357611 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357614 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357615 JK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(-c3cc(Cl)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587357616 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccco2)(c2coc3ccc(O)cc23)[C@H]1c1ccc(F)cc1 ZINC000587357623 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccco2)(c2coc3ccc(O)cc23)[C@H]1c1ccc(F)cc1 ZINC000587357625 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccco2)(c2coc3ccc(O)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587357626 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccco2)(c2coc3ccc(O)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587357628 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-c4ccc(Cl)cc4OC)c3)nc3c2oc2ccccc23)c1 ZINC000587357631 JK Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357653 JK Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357655 JK Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357662 JK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587357663 JK Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357665 JK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587357667 JK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587357670 JK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587357673 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357676 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357680 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357682 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357683 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3ccc(Cl)cc3)c(CCC(=O)O)nc3c2oc2ccccc23)c1 ZINC000587357718 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587357724 JK Annotated Bother COc1ccc(C2=COc3cc(O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587357726 JK Annotated Anodyne COCCc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587357727 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587357728 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587357729 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587357730 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357731 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357733 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357734 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357735 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)[C@H](C)Cl)c3C)nc3c2oc2ccccc23)c1 ZINC000587357742 JK Annotated Reactive O=C1Oc2cc(O)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000587357743 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)[C@@H](C)Cl)c3C)nc3c2oc2ccccc23)c1 ZINC000587357744 JK Annotated Reactive O=C1Oc2cc(O)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000587357745 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(O)cc3OC(=O)[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587357747 JK Annotated Anodyne O=C1Oc2cc(O)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000587357749 JK Annotated Anodyne COc1cccc(-c2cc(-c3oc4ccccc4c3NC(=O)CCl)nc3c2oc2ccccc23)c1 ZINC000587357750 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(Br)c2OCC3)c1 ZINC000587357759 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2cccc(Br)c2)c1 ZINC000587357760 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2cccc(Br)c2)c1 ZINC000587357762 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cccc(Cl)c3C)nc3c2oc2ccccc23)c1 ZINC000587357764 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587357787 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587357789 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587357790 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587357791 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2CC[C@@H]3C)c1 ZINC000587357796 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2CC[C@H]3C)c1 ZINC000587357799 JK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(-c4cccc(Cl)c4)c3C)nc3c2oc2ccccc23)c1 ZINC000587357806 JK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587357813 JK Annotated Anodyne COc1cccc(-c2cc(CCCOc3ccc(Cl)c(C)c3)nc3c2oc2ccccc23)c1 ZINC000587357819 JK Annotated Anodyne COc1cccc(-c2c([C@H](C)C(=O)O)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357824 JK Annotated Anodyne COc1cccc(-c2c([C@@H](C)C(=O)O)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357825 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3NC(=O)[C@H](C)Cl)nc3c2oc2ccccc23)c1 ZINC000587357836 JK Annotated Reactive COc1cccc(-c2cc(-c3ccccc3NC(=O)[C@@H](C)Cl)nc3c2oc2ccccc23)c1 ZINC000587357837 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](O)(c2cccc(Cl)c2)C3)c1 ZINC000587357840 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](O)(c2cccc(Cl)c2)C3)c1 ZINC000587357842 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)ccc3NC(C)=O)nc3c2oc2ccccc23)c1 ZINC000587357844 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357846 JK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Cl)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587357847 JK Annotated Anodyne CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357848 JK Annotated Anodyne CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357849 JK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4ccccc4N/C3=C\Cl)nc3c2oc2ccccc23)c1 ZINC000587357850 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357851 JK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4ccccc4N/C3=C/Cl)nc3c2oc2ccccc23)c1 ZINC000587357853 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccccc2Cl)c1 ZINC000587357859 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccccc2Cl)c1 ZINC000587357861 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587357913 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587357914 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587357915 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587357916 JK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357927 JK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357928 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357929 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357930 JK Annotated Mild O=C1c2ccc(O)cc2OC(CCc2ccccc2)(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587357931 JK Annotated Anodyne O=C1c2ccc(O)cc2OC(CCc2ccccc2)(CCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587357932 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587357974 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587357976 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587357978 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587357981 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2ccc(Br)cc2)c1 ZINC000587358012 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2ccc(Br)cc2)c1 ZINC000587358015 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)cccc2CC3)c1 ZINC000587358017 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(=O)C(Cl)(Cl)Cl)n(C)c3)nc3c2oc2ccccc23)c1 ZINC000587358021 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(O)cc3)=COc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587358055 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587358056 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(O)cc3)=COc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587358058 JK Annotated Anodyne CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358059 JK Annotated Unstable O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(O)cc3)=COc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587358060 JK Annotated Anodyne CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358063 JK Annotated Unstable O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(O)cc3)=COc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587358064 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)c(Br)c2C3)c1 ZINC000587358065 JK Annotated Anodyne CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358068 JK Annotated Unstable CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358072 JK Annotated Unstable C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587358109 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587358115 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(CCC(=O)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587358116 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587358120 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4cncn4)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587358121 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587358123 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)oc4nc(Br)nn34)nc3c2oc2ccccc23)c1 ZINC000587358130 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587358144 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2cccc(Br)c2)c1 ZINC000587358149 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2cccc(Br)c2)c1 ZINC000587358152 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587358153 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc(N)c2Br)C3)c1 ZINC000587358154 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587358156 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587358163 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587358167 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(Cl)cc4OC)cc3)nc3c2oc2ccccc23)c1 ZINC000587358177 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358196 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358198 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358201 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358203 JK Annotated Anodyne COc1cccc(-c2cc(-c3cn(Cc4ccc(Cl)cc4)nn3)nc3c2oc2ccccc23)c1 ZINC000587358211 JK Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358245 JK Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358247 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](C(=O)O)(c2cccc(Cl)c2)C3)c1 ZINC000587358248 JK Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358249 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](C(=O)O)(c2cccc(Cl)c2)C3)c1 ZINC000587358250 JK Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358251 JK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c4ccc(Br)cc4c3=O)nc3c2oc2ccccc23)c1 ZINC000587358254 JK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c4c(Br)cccc34)nc3c2oc2ccccc23)c1 ZINC000587358284 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccccc1)O2 ZINC000587358302 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCCCCl)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587358304 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(OC)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587358305 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccccc1)O2 ZINC000587358306 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccccc1)O2 ZINC000587358308 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccccc1)O2 ZINC000587358312 JK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)nc4ccc(C)cc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587358347 JK Annotated Anodyne C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358360 JK Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358361 JK Annotated Unstable C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358366 JK Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358369 JK Annotated Unstable COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587358377 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)cc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587358392 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2cccc(C(F)(F)F)c2)CC3)c1 ZINC000587358394 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2cccc(C(F)(F)F)c2)CC3)c1 ZINC000587358398 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CBr)CC[C@H]3C2(C)C)c1 ZINC000587358411 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(OS(=O)(=O)C(F)(F)F)CC3)c1 ZINC000587358431 JK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](F)C[C@@H](OCc2ccccc2)C3)c1 ZINC000587358437 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](F)C[C@@H](OCc2ccccc2)C3)c1 ZINC000587358440 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358455 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)nc3c2oc2ccccc23)c1 ZINC000587358456 JK Annotated Anodyne CCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358458 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358459 JK Annotated Anodyne CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358460 JK Annotated Anodyne CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358461 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)c(Br)c3F)nc3c2oc2ccccc23)c1 ZINC000587358463 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587358480 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccccc2C(F)(F)F)CCCC3)c1 ZINC000587358494 JK Annotated Anodyne CCCCCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358496 JK Annotated Mild CCCCCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358497 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccccc2C(F)(F)F)CCCC3)c1 ZINC000587358498 JK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358499 JK Annotated Mild CCCCCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358501 JK Annotated Mild COc1cccc(-c2cc(-c3ccc(Cl)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587358503 JK Annotated Anodyne COc1cccc(-c2cc(-c3cn(-c4cccnc4Cl)c(=O)nc3O)nc3c2oc2ccccc23)c1 ZINC000587358505 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC(F)F)cc3OC(F)F)nc3c2oc2ccccc23)c1 ZINC000587358507 JK Annotated Anodyne COc1cccc(-c2cc(CC(O)(C(F)(F)F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587358508 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)cc(OC(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587358512 JK Annotated Anodyne COc1cccc(-c2c(Cc3c(C)nc4ccccc4c3Cl)c(C)nc3c2oc2ccccc23)c1 ZINC000587358521 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)C(C)(C)CCl)c3)nc3c2oc2ccccc23)c1 ZINC000587358524 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(Br)c2[C@@H]3C)c1 ZINC000587358534 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(Br)c2[C@H]3C)c1 ZINC000587358535 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCCCCl)cc3O)nc3c2oc2ccccc23)c1 ZINC000587358544 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c4ccc(Cl)cc24)CC3)c1 ZINC000587358546 JK Annotated Anodyne CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccc(Br)cc1 ZINC000587358547 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)C(F)F)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587358549 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(OC(F)(F)F)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587358567 JK Annotated Bother COc1cccc(-c2cc(-c3cc(Br)ccc3OC(F)F)nc3c2oc2ccccc23)c1 ZINC000587358572 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1 ZINC000587358582 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1 ZINC000587358594 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(OC)ccc(Br)c2C3)c1 ZINC000587358608 JK Annotated Anodyne CCN(CC)Cc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OC ZINC000587358618 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587358624 JK Annotated Reactive COc1cccc(-c2cc(/C=C/c3ccc(OC)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358634 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(-c4ccc(Cl)cc4)no3)nc3c2oc2ccccc23)c1 ZINC000587358636 JK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358650 JK Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358655 JK Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358658 JK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358660 JK Annotated Unstable COc1cccc(-c2cc(-c3cc(Br)cc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587358666 JK Annotated Anodyne CCc1c(-c2cc(Br)ccc2F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358683 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3OC)nc3c2oc2ccccc23)c1 ZINC000587358688 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587358702 JK Annotated Unstable CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358704 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(I)c3)nc3c2oc2ccccc23)c1 ZINC000587358707 JK Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358710 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587358711 JK Annotated Unstable COc1cccc(-c2cc(Cc3cc(F)ccc3Br)nc3c2oc2ccccc23)c1 ZINC000587358712 JK Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358715 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587358716 JK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](C(=O)O)(c2ccc(Cl)cc2)C3)c1 ZINC000587358717 JK Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358718 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587358720 JK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](C(=O)O)(c2ccc(Cl)cc2)C3)c1 ZINC000587358721 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Br)c3OC)nc3c2oc2ccccc23)c1 ZINC000587358748 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(Br)cc2CCC3)c1 ZINC000587358749 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358765 JK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(-c3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358767 JK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587358770 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358772 JK Annotated Anodyne COc1cccc(-c2c(C)c(CCc3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587358774 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358776 JK Annotated Anodyne CCOc1ccc(C=Nc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587358779 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2ccc(Br)cc2C3)c1 ZINC000587358780 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358781 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358826 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358830 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358833 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358838 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587358843 JK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587358844 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358848 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587358849 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587358851 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358856 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)N(C)Cc3ccccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587358866 JK Annotated Anodyne COc1cccc(-c2c(C)c(CC(=O)c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587358873 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587358906 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587358916 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)[C@H](C)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587358921 JK Annotated Reactive COc1cccc(-c2cc(-c3cccc(NC(=O)[C@@H](C)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587358925 JK Annotated Reactive Cc1ccc(C(=O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587358938 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587358940 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587358942 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587358945 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)c3cc(Br)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587358948 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(F)cc(Br)cc2C3)c1 ZINC000587358966 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(Cl)cc4F)s3)nc3c2oc2ccccc23)c1 ZINC000587358968 JK Annotated Anodyne CCn1ncc(I)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587358982 JK Annotated Anodyne COc1cccc(-c2cc(-c3ncc(Cl)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587359043 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)ccc3SC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587359045 JK Annotated Anodyne COC(=O)c1cc(Br)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[nH]1 ZINC000587359068 JK Annotated Anodyne CCOC(=O)CCc1c(-c2ccc(F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359072 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccccc3OCC(=O)N(C)C)nc3c2oc2ccccc23)c1 ZINC000587359118 JK Annotated Anodyne CCN(C(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)c1ccccc1C ZINC000587359133 JK Annotated Anodyne COc1cccc(-c2cc(-c3oc(-c4ccc(F)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587359149 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587359150 JK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)cc1OCC ZINC000587359154 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)ccc3Br)nc3c2oc2ccccc23)c1 ZINC000587359159 JK Annotated Anodyne COc1cccc(-c2cc(-c3nn(C)cc3I)nc3c2oc2ccccc23)c1 ZINC000587359179 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587359200 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587359201 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587359202 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587359203 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)cc(Br)c2C3)c1 ZINC000587359234 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2NC(C)=C(CCCl)C(=O)N2CC3)c1 ZINC000587359236 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(Br)cc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587359239 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2NC(C)=C(CCCl)C(=O)N2CC3)c1 ZINC000587359241 JK Annotated Reactive CCCc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359245 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(Cl)cc4c2CC3)c1 ZINC000587359247 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587359253 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(Cl)cc3)c(C(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587359272 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587359274 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587359276 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587359277 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587359282 JK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587359298 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C3CCC4(CC3)OCCO4)CC2)[C@H]1c1ccc(F)cc1 ZINC000587359304 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C3CCC4(CC3)OCCO4)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587359311 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587359312 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4ccccc4c3OC(F)F)nc3c2oc2ccccc23)c1 ZINC000587359328 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587359333 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587359339 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc(N)c3O)nc3c2oc2ccccc23)c1 ZINC000587359340 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(O)ccc(Br)c2C3)c1 ZINC000587359341 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587359351 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@H]3C[C@H]12 ZINC000587359353 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587359356 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@H]3C[C@H]12 ZINC000587359358 JK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587359360 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@H]3C[C@H]12 ZINC000587359362 JK Annotated Mild COc1cccc(-c2cc(-c3ccc4ncc(Br)cc4c3)nc3c2oc2ccccc23)c1 ZINC000587359364 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587359365 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@H]3C[C@H]12 ZINC000587359367 JK Annotated Mild COc1cccc(-c2cc(CC(=O)Nc3cc(Cl)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587359403 JK Annotated Anodyne COc1cccc(-c2cc(CCc3c[nH]c4ccc(Br)cc34)nc3c2oc2ccccc23)c1 ZINC000587359405 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCC(F)F)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587359420 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587359422 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587359435 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587359436 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587359438 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587359474 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2CCC3)c1 ZINC000587359495 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c1 ZINC000587359500 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)CC(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359506 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(F)cc3O)nc3c2oc2ccccc23)c1 ZINC000587359510 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N(C)C(=O)OC(C)(C)C)C3)c1 ZINC000587359511 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2ccc(Br)cc2)C3)c1 ZINC000587359518 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)nc3c2oc2ccccc23)c1 ZINC000587359519 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2ccc(Br)cc2)C3)c1 ZINC000587359521 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(Br)c3N)nc3c2oc2ccccc23)c1 ZINC000587359522 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587359532 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(OC)nc3C)nc3c2oc2ccccc23)c1 ZINC000587359538 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(Br)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587359541 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(C)cc(Br)cc2C3)c1 ZINC000587359552 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(CCl)c(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587359556 JK Annotated Reactive CCOP(=O)(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC ZINC000587359573 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC ZINC000587359575 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC ZINC000587359577 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2ncc3c(Cl)nccn23)c1 ZINC000587359581 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2ncc3c(Cl)nccn23)c1 ZINC000587359583 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC ZINC000587359584 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccccc1)O2 ZINC000587359585 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C(F)(F)F)nn(C)c3Cl)nc3c2oc2ccccc23)c1 ZINC000587359588 JK Annotated Anodyne CCc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359591 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](c1ccccc1)O2 ZINC000587359592 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](c1ccccc1)O2 ZINC000587359599 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](c1ccccc1)O2 ZINC000587359602 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587359623 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587359626 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587359628 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587359629 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(Br)cc2CC3)c1 ZINC000587359630 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2cccc(Cl)c2)c1 ZINC000587359648 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2cccc(Cl)c2)c1 ZINC000587359649 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2NCC3)c1 ZINC000587359651 JK Annotated Anodyne COc1cccc(-c2c(CCCC3OCCO3)c(Cc3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359667 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](Br)Cc3ccccc3F)nc3c2oc2ccccc23)c1 ZINC000587359669 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(NC(=O)[C@H](C)Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587359672 JK Annotated Reactive COc1cccc(-c2cc([C@H](Br)Cc3ccccc3F)nc3c2oc2ccccc23)c1 ZINC000587359674 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(NC(=O)[C@@H](C)Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587359676 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(I)s3)nc3c2oc2ccccc23)c1 ZINC000587359677 JK Annotated Anodyne COc1cccc(-c2c(CCBr)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359688 JK Annotated Reactive COc1cccc(-c2cc(-c3c(I)cnn3C)nc3c2oc2ccccc23)c1 ZINC000587359699 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359703 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359705 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359706 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359708 JK Annotated Anodyne COCCOCCCc1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1F ZINC000587359712 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(I)ccc2C3)c1 ZINC000587359714 JK Annotated Anodyne COc1cccc(-c2c(CCN3CCC(C)CC3)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359717 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587359730 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccc(C(F)(F)F)cc2)C3)c1 ZINC000587359737 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccc(C(F)(F)F)cc2)C3)c1 ZINC000587359740 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587359745 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC[C@H]4CCCCO4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359749 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC[C@@H]4CCCCO4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359752 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccccc4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359756 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(Br)cccc3OC)nc3c2oc2ccccc23)c1 ZINC000587359761 JK Annotated Anodyne CCc1c(-c2ccc(Br)cc2F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359767 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](Br)Cc3ccc(F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587359768 JK Annotated Reactive COc1cccc(-c2cc([C@H](Br)Cc3ccc(F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587359770 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(Oc4ccc(F)cc4Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587359772 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccc(F)cc4F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359773 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-c4ccc(C(=O)O)cc4F)c3)nc3c2oc2ccccc23)c1 ZINC000587359774 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(C)cc3O)nc3c2oc2ccccc23)c1 ZINC000587359784 JK Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587359794 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccccc4F)nc2CC3)c1 ZINC000587359796 JK Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587359797 JK Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587359798 JK Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587359799 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)cc(F)cc2C3)c1 ZINC000587359818 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(F)cc4)s3)nc3c2oc2ccccc23)c1 ZINC000587359822 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(F)c(C)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587359845 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)cc(F)c2C3)c1 ZINC000587359847 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(OC)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359850 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4cc(F)ccc4F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359852 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Nc4ccc(F)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587359860 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3OCCBr)nc3c2oc2ccccc23)c1 ZINC000587359887 JK Annotated Reactive COP(=O)(C[C@@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587359894 JK Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587359896 JK Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587359898 JK Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587359900 JK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359918 JK Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359920 JK Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359922 JK Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359923 JK Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359925 JK Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359927 JK Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359931 JK Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359934 JK Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359937 JK Annotated Unstable COc1cccc(-c2cc(-c3ccc(OC(F)(F)F)c(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587359938 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359941 JK Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359943 JK Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359945 JK Annotated Unstable COc1cccc(-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587359948 JK Annotated Bother COc1cccc(-c2c(C)c(-c3ccc(Br)cc3O)nc3c2oc2ccccc23)c1 ZINC000587359966 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(F)cc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587359975 JK Annotated Anodyne COc1cccc(-c2c(C)c(Cc3ccccc3Br)nc3c2oc2ccccc23)c1 ZINC000587359991 JK Annotated Anodyne COCCCc1c(-c2ccc(C(F)(F)F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359992 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587359995 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587360000 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587360002 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)c1 ZINC000587360003 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587360004 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2cccc(C(F)(F)F)c2)C3)c1 ZINC000587360006 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000587360010 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000587360012 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360034 JK Annotated Unstable CCOC(=O)[C@@]1(CCBr)CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587360035 JK Annotated Reactive COc1cccc(-c2c(C)c(-c3ccc(C(F)(F)F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587360036 JK Annotated Anodyne CCOC(=O)[C@]1(CCBr)CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587360038 JK Annotated Reactive COc1cccc(-c2cc(-c3ncc(C(F)(F)F)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587360042 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4ccnc4)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587360056 JK Annotated Anodyne COc1cccc(-c2cc(-c3nc4cc(C(F)(F)F)ccc4n3C)nc3c2oc2ccccc23)c1 ZINC000587360060 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587360068 JK Annotated Unstable O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587360070 JK Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587360072 JK Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587360075 JK Annotated Unstable COc1cccc(-c2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360081 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587360102 JK Annotated Bother COc1cccc(-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360105 JK Annotated Anodyne COc1cccc(-c2cc(Cn3nc(C(F)(F)F)cc3C3CC3)nc3c2oc2ccccc23)c1 ZINC000587360109 JK Annotated Anodyne CCCc1c(-c2ccc(C(F)(F)F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360112 JK Annotated Anodyne COc1cccc(-c2c(Cc3c(C)nc4c(C)cccc4c3Cl)c(C)nc3c2oc2ccccc23)c1 ZINC000587360113 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)c(C(F)(F)F)c3F)nc3c2oc2ccccc23)c1 ZINC000587360116 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(CBr)nc3c2oc2ccccc23)c1 ZINC000587360132 JK Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587360152 JK Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587360153 JK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(-c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360154 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587360155 JK Annotated Anodyne COc1cccc(-c2c(C[C@@](F)(Cl)C(F)(F)Br)c(C)nc3c2oc2ccccc23)c1 ZINC000587360157 JK Annotated Anodyne COc1cccc(-c2c(C[C@](F)(Cl)C(F)(F)Br)c(C)nc3c2oc2ccccc23)c1 ZINC000587360158 JK Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 ZINC000587360160 JK Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 ZINC000587360161 JK Annotated Anodyne COc1cccc(-c2c(Cc3c(C)nc4ccc(C)cc4c3Cl)c(C)nc3c2oc2ccccc23)c1 ZINC000587360163 JK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360174 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(Cl)ccc(Br)c3F)nc3c2oc2ccccc23)c1 ZINC000587360177 JK Annotated Anodyne COc1cccc(-c2c(CCC=O)c(CNC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587360182 JK Annotated Mild COc1cccc(-c2cc(-c3cccc(-c4cc(C(=O)O)ccc4F)c3)nc3c2oc2ccccc23)c1 ZINC000587360184 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(F)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587360186 JK Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587360199 JK Annotated Mild COc1cccc(-c2cc(-c3cc(F)ccc3I)nc3c2oc2ccccc23)c1 ZINC000587360203 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)cc(Br)c2C3)c1 ZINC000587360204 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(F)ccc(Br)c2C3)c1 ZINC000587360207 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587360213 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c(I)c3)nc3c2oc2ccccc23)c1 ZINC000587360215 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-c4ccc(C)c(F)c4)c3)nc3c2oc2ccccc23)c1 ZINC000587360220 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(Br)ccc(Cl)c3F)nc3c2oc2ccccc23)c1 ZINC000587360222 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(F)cc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587360226 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1CO2 ZINC000587360239 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1CO2 ZINC000587360242 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccc(F)cc4)nc2CC3)c1 ZINC000587360244 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1CO2 ZINC000587360246 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4cccc(C)c4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360247 JK Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1CO2 ZINC000587360249 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360253 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc4cc(N(C)C)ccc4c3)nc3c2oc2ccccc23)c1 ZINC000587360255 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360258 JK Annotated Anodyne COc1cccc(-c2c(CCCC(=O)O)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360259 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360263 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360264 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360274 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(OC)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360280 JK Annotated Anodyne COC(=O)CCCc1c(-c2ccc(F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360294 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Cl)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587360313 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccc(Cl)cc4)c3)nc3c2oc2ccccc23)c1 ZINC000587360358 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SCC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360367 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(OC(F)(F)F)c3F)nc3c2oc2ccccc23)c1 ZINC000587360376 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(NNc2ccc(Cl)cc2)=CC3)c1 ZINC000587360392 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(-c4ccc(Cl)cc4)oc3C)nc3c2oc2ccccc23)c1 ZINC000587360418 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(OC)cc3O)nc3c2oc2ccccc23)c1 ZINC000587360427 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587360463 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587360465 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587360468 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587360473 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2cccc(C(F)(F)F)c2)c1 ZINC000587360481 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2cccc(C(F)(F)F)c2)c1 ZINC000587360488 JK Annotated Anodyne CCOC(=O)C(F)(F)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1C ZINC000587360493 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)OCC(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360495 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)c(Cl)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360497 JK Annotated Anodyne COc1cccc(-c2cc(Cn3cc(C(F)(F)F)ccc3=O)nc3c2oc2ccccc23)c1 ZINC000587360507 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(CCC(F)(F)F)c3F)nc3c2oc2ccccc23)c1 ZINC000587360508 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)CBr)c3)nc3c2oc2ccccc23)c1 ZINC000587360511 JK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(C(F)(F)F)cc2)CCC3)c1 ZINC000587360519 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(C(F)(F)F)cc2)CCC3)c1 ZINC000587360521 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Br)c(C)c3)nc3c2oc2ccccc23)c1 ZINC000587360534 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SC(F)F)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587360540 JK Annotated Anodyne COc1cccc(-c2cc(C[C@](O)(c3nccn3C)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360548 JK Annotated Anodyne COc1cccc(-c2cc(C[C@@](O)(c3nccn3C)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360549 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)C(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360550 JK Annotated Anodyne C=CCc1c(-c2cccc(C(F)(F)F)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360553 JK Annotated Mild COc1cccc(-c2cc(-c3ccccc3I)nc3c2oc2ccccc23)c1 ZINC000587360566 JK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(-c4ccc(F)cc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587360567 JK Annotated Anodyne CCN(CC)c1ccc2cc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c(=O)oc2c1 ZINC000587360573 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(OC)c(F)c2)CCC3)c1 ZINC000587360578 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(OC)c(F)c2)CCC3)c1 ZINC000587360579 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(I)cc3)nc3c2oc2ccccc23)c1 ZINC000587360581 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(F)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587360582 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(CC(C)(OC)OC)c3F)nc3c2oc2ccccc23)c1 ZINC000587360583 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(I)cc2C3)c1 ZINC000587360584 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(Nc4ccc(F)cc4)s3)nc3c2oc2ccccc23)c1 ZINC000587360590 JK Annotated Anodyne COc1cccc(-c2cc(-c3cn(Cc4ccc(F)cc4)nn3)nc3c2oc2ccccc23)c1 ZINC000587360593 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnn(-c4ccc(F)cc4)c2CC3)c1 ZINC000587360596 JK Annotated Anodyne CCOc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC(=O)O)cc1F ZINC000587360621 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(NNc2ccc(F)cc2)=CC3)c1 ZINC000587360630 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccccc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360631 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccccc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360633 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccccc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360635 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccccc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360638 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587360651 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587360652 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360663 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360665 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360667 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360669 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccccc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360670 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccccc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360671 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccccc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360672 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccccc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360673 JK Annotated Anodyne COc1cccc(-c2cc(Cn3cc(I)c(C)n3)nc3c2oc2ccccc23)c1 ZINC000587360677 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(C)c(F)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587360685 JK Annotated Anodyne CCOP(=O)(C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC ZINC000587360695 JK Annotated Reactive CCOP(=O)(C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC ZINC000587360696 JK Annotated Reactive CCOP(=O)(C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC ZINC000587360697 JK Annotated Reactive CCOP(=O)(C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC ZINC000587360699 JK Annotated Reactive COc1cccc(-c2cc(-c3sc(-c4ccc(F)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587360707 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360720 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360722 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360724 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360727 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NS(C)(=O)=O)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360728 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360740 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360741 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360743 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360745 JK Annotated Anodyne CCc1c(-c2ccc(Br)c(C)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360747 JK Annotated Anodyne COC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1Br ZINC000587360749 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360799 JK Annotated Anodyne CCCc1c(-c2ccc(Br)c(C)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360801 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587360802 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360806 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3NC(=O)OCC(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360807 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587360809 JK Annotated Anodyne COc1cccc(-c2cc([C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587360816 JK Annotated Anodyne COc1cccc(-c2cc([C@]3(F)CCN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587360821 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(F)ccc(Br)c3Cl)nc3c2oc2ccccc23)c1 ZINC000587360830 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587360831 JK Annotated Bother COc1cccc(-c2cc(-c3cnn(-c4ccc(Cl)cn4)c3C)nc3c2oc2ccccc23)c1 ZINC000587360837 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)cc(O)cc1O2 ZINC000587360848 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(O)cc(O)cc1O2 ZINC000587360851 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)cc(O)cc1O2 ZINC000587360853 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(O)cc(O)cc1O2 ZINC000587360855 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000587360863 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000587360864 JK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)nc4c(C)cccc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587360872 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](Br)Cc3c(F)cccc3F)nc3c2oc2ccccc23)c1 ZINC000587360873 JK Annotated Reactive COc1cccc(-c2cc([C@H](Br)Cc3c(F)cccc3F)nc3c2oc2ccccc23)c1 ZINC000587360875 JK Annotated Reactive COc1cccc(-c2c(C)c(-c3cc(Br)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587360878 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC(F)(F)F)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587360885 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(Cl)cc2)c1 ZINC000587360918 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(Cl)cc2)c1 ZINC000587360919 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C(F)(F)F)cc(C(F)(F)F)n3C)nc3c2oc2ccccc23)c1 ZINC000587360922 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(C(F)(F)Br)nc3c2oc2ccccc23)c1 ZINC000587360929 JK Annotated Anodyne COc1cccc(-c2cc(CC[C@@](F)(Cl)C(F)(F)Br)nc3c2oc2ccccc23)c1 ZINC000587360934 JK Annotated Anodyne COc1cccc(-c2cc(CC[C@](F)(Cl)C(F)(F)Br)nc3c2oc2ccccc23)c1 ZINC000587360935 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360944 JK Annotated Mild CCCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360951 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)c3cc(Cl)ccc3n4C)nc3c2oc2ccccc23)c1 ZINC000587360952 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccccc4F)s3)nc3c2oc2ccccc23)c1 ZINC000587360967 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587360971 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)NC(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587360979 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)ccc(F)c2C3)c1 ZINC000587360981 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CS(=O)(=O)F)CC[C@H]3C2(C)C)c1 ZINC000587360983 JK Annotated Unstable CCN(C)C(=O)Oc1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587360984 JK Annotated Anodyne CCN1CCN(c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2F)CC1 ZINC000587360987 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)c(F)cc2C3)c1 ZINC000587360998 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4cccn4)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587361076 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361090 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361091 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361093 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361097 JK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361100 JK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361105 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)cc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587361106 JK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361108 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)cc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587361109 JK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361110 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3-c3ccc(F)c(C)c3)nc3c2oc2ccccc23)c1 ZINC000587361111 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)cc3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587361113 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)cc3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587361118 JK Annotated Anodyne CCn1cc(I)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 ZINC000587361124 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(O)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587361138 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(O)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587361140 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(O)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587361142 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(O)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587361144 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Br)c3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587361145 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(N(C)C)cc2)c1 ZINC000587361149 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(N(C)C)cc2)c1 ZINC000587361152 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(I)=CCC3)c1 ZINC000587361155 JK Annotated Anodyne CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361221 JK Annotated Unstable COc1cccc(-c2cc(-c3cc(F)c(C(F)(F)F)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361227 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)CC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361231 JK Annotated Anodyne CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361233 JK Annotated Unstable CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361234 JK Annotated Unstable CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361235 JK Annotated Unstable COc1cccc(-c2cc(CC(=O)c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361236 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccccc2C(F)(F)F)c1 ZINC000587361240 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccccc2C(F)(F)F)c1 ZINC000587361241 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(Cl)cc3F)nc3c2oc2ccccc23)c1 ZINC000587361242 JK Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587361249 JK Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@H](C(=O)C(F)(F)F)C1 ZINC000587361252 JK Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@H](C(=O)C(F)(F)F)C1 ZINC000587361253 JK Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587361254 JK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361260 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361262 JK Annotated Anodyne COc1cccc(-c2cc(C[C@@](O)(c3ccccc3)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587361266 JK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361267 JK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361268 JK Annotated Anodyne COc1cccc(-c2cc(C[C@](O)(c3ccccc3)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587361269 JK Annotated Anodyne CCCc1c(-c2cc(Br)ccc2F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361271 JK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361273 JK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361274 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(Cl)nc3C)nc3c2oc2ccccc23)c1 ZINC000587361277 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(F)cc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361278 JK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3cc(Br)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587361280 JK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)nc4ccccc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587361295 JK Annotated Anodyne COc1cccc(-c2cc(Cn3nc(C)c(Br)c3C)nc3c2oc2ccccc23)c1 ZINC000587361304 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(Cl)cc2)CCCC3)c1 ZINC000587361314 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(Cl)cc2)CCCC3)c1 ZINC000587361315 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4cccc(F)c4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587361328 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(C(F)(F)F)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587361329 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(SC(F)F)cc2CC3)c1 ZINC000587361331 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccccc4F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361334 JK Annotated Anodyne CCOC(=O)Cc1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1F ZINC000587361341 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(-c4ccccc4)nn(C)c3Cl)nc3c2oc2ccccc23)c1 ZINC000587361345 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587361346 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)c(N)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361355 JK Annotated Anodyne COc1ccc(C=Nc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587361360 JK Annotated Mild COc1cccc(-c2cc(-c3ccc(OC4CCCCC4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361363 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(SC(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361371 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc(F)c3O)nc3c2oc2ccccc23)c1 ZINC000587361372 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000587361373 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000587361375 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N(CC(=O)O)N=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587361380 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCCC4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361382 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)CC(=O)O)cc3F)nc3c2oc2ccccc23)c1 ZINC000587361392 JK Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587361395 JK Annotated Anodyne COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587361396 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(Br)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361399 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(C)=O)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587361469 JK Annotated Anodyne CCc1c(-c2ccc(Cl)c(Br)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361479 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(CCBr)cc3)nc3c2oc2ccccc23)c1 ZINC000587361482 JK Annotated Reactive COc1cccc(-c2c(CC3CCCC3)c(CBr)nc3c2oc2ccccc23)c1 ZINC000587361500 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(Cl)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587361564 JK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(Cl)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587361581 JK Annotated Anodyne COc1cccc(-c2c(CCBr)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587361634 JK Annotated Reactive COc1cccc(-c2cc(-c3cc(OC)ccc3Br)nc3c2oc2ccccc23)c1 ZINC000587361640 JK Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361661 JK Annotated Unstable C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361662 JK Annotated Unstable C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361663 JK Annotated Unstable C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361664 JK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361677 JK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361678 JK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361679 JK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361680 JK Annotated Unstable COc1cccc(-c2cc(-c3cc(Br)cc(C)c3O)nc3c2oc2ccccc23)c1 ZINC000587361682 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccccc3Br)nc3c2oc2ccccc23)c1 ZINC000587361687 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587361707 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587361723 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587361724 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587361725 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587361726 JK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(C=O)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361783 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(OC)c(OC)c3OC)nc3c2oc2ccccc23)c1 ZINC000587361785 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587361791 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587361792 JK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCC(=O)O)cc1 ZINC000587361798 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(OC)c(OC)c2)c1 ZINC000587361809 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(OC)c(OC)c2)c1 ZINC000587361810 JK Annotated Anodyne COc1cccc(-c2cc(CCCOc3ccccc3C(N)=O)nc3c2oc2ccccc23)c1 ZINC000587361818 JK Annotated Anodyne CCOc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1OCC ZINC000587361820 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccccc4OC)cc3)nc3c2oc2ccccc23)c1 ZINC000587361839 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc4c(C(=O)O)cnn4c3C)nc3c2oc2ccccc23)c1 ZINC000587361878 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)NCc3ccccc3OC)nc3c2oc2ccccc23)c1 ZINC000587361891 JK Annotated Anodyne CCOc1ccccc1[C@H]1CC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361897 JK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361899 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc3c2oc2ccccc23)c1 ZINC000587361908 JK Annotated Bother COc1cccc(-c2cc(CC(=O)Nc3ccc(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587361916 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc4cc(C(=O)O)nn4c3C)nc3c2oc2ccccc23)c1 ZINC000587361917 JK Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361920 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(C5CCCCC5)cc4c2CC3)c1 ZINC000587361921 JK Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361922 JK Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361925 JK Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361926 JK Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361928 JK Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361929 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnc(-c4cccnc4)nc2CC3)c1 ZINC000587361933 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-n4c(C)cc(C=O)c4C)c3)nc3c2oc2ccccc23)c1 ZINC000587361935 JK Annotated Clean COc1cccc(-c2cc(-c3ccccc3NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587361978 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4nccn4C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361996 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\N(C)C)C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587362001 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC000587362007 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC000587362010 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC000587362012 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H]3CCN2C(=O)OC(C)(C)C)c1 ZINC000587362014 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\N(C)C)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587362021 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/N(C)C)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587362023 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/N(C)C)C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587362025 JK Annotated Anodyne CCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1OCCC ZINC000587362034 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 ZINC000587362049 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)c1 ZINC000587362050 JK Annotated Bother CCc1c(-c2cn(CC(=O)O)c3ccccc23)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362055 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC[C@@H](C3)N2C(=O)OC(C)(C)C)c1 ZINC000587362073 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(=O)OC(C)(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587362089 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccncc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587362113 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccncc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587362115 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587362134 JK Annotated Anodyne COc1cccc(-c2cc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362136 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362137 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587362143 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587362144 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587362148 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587362149 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587362150 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587362151 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(N4CCC(O)CC4)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587362154 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C3)c1 ZINC000587362166 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1 ZINC000587362167 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C3)c1 ZINC000587362168 JK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3ccc4cc(OC)ccc4c3)nc3c2oc2ccccc23)c1 ZINC000587362192 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)c1 ZINC000587362194 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(-c4ccccc4)c3)nc3c2oc2ccccc23)c1 ZINC000587362203 JK Annotated Anodyne COc1cccc(-c2c(CC=O)c([C@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362220 JK Annotated Mild COc1cccc(-c2c(CC(=O)O)c(-c3ccc(OC)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587362222 JK Annotated Anodyne COC(=O)Nc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c([N+](=O)[O-])c1 ZINC000587362225 JK Annotated Bother COc1cccc(-c2cc(-c3cn([C@@H](C)C(=O)O)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587362230 JK Annotated Anodyne COc1cccc(-c2cc(-c3cn([C@H](C)C(=O)O)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587362235 JK Annotated Anodyne C=C(C)COCCNc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362240 JK Annotated Mild COc1cccc(-c2cc(CC(=O)NC3C4CC5CC(C4)CC3C5)nc3c2oc2ccccc23)c1 ZINC000587362243 JK Annotated Anodyne CCOC(=O)C[C@@H](Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(=O)OCC ZINC000587362249 JK Annotated Anodyne CCOC(=O)C[C@H](Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(=O)OCC ZINC000587362251 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C)nc3c2oc2ccccc23)c1 ZINC000587362255 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(C)=O)c(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587362262 JK Annotated Anodyne CCOC(=O)[C@@H]([C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21)[N+](=O)[O-] ZINC000587362275 JK Annotated Mild CCOC(=O)[C@H]([C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21)[N+](=O)[O-] ZINC000587362276 JK Annotated Mild CCOC(=O)[C@@H]([C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21)[N+](=O)[O-] ZINC000587362277 JK Annotated Mild CCOC(=O)[C@H]([C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21)[N+](=O)[O-] ZINC000587362278 JK Annotated Mild COc1cccc(-c2cc(-c3cccc(NC(=O)c4cc(C)on4)c3)nc3c2oc2ccccc23)c1 ZINC000587362296 JK Annotated Anodyne COc1cccc(-c2c(CCOc3ccccc3C(N)=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587362300 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnc(N)nc2C[C@@H]3c2ccco2)c1 ZINC000587362309 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnc(N)nc2C[C@H]3c2ccco2)c1 ZINC000587362312 JK Annotated Anodyne CCc1c(-c2cc3c(cc2N)OCCO3)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362317 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](NC(=O)OCc2ccccc2)C3)c1 ZINC000587362320 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](NC(=O)OCc2ccccc2)C3)c1 ZINC000587362321 JK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)c3cn(C)c4ccccc34)cnc3c2oc2ccccc23)c1 ZINC000587362324 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)c3cccc(NC(C)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587362343 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362344 JK Annotated Clean COc1cccc(-c2cc([C@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362345 JK Annotated Clean CCn1c2c(c3cc(C(=O)O)ccc31)CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362350 JK Annotated Clean COCCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362360 JK Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362363 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](N=O)C(=O)Nc3ccc(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587362369 JK Annotated Anodyne COc1cccc(-c2cc([C@H](N=O)C(=O)Nc3ccc(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587362371 JK Annotated Anodyne COc1cccc(-c2cc(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587362377 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1 ZINC000587362394 JK Annotated Anodyne CCc1c(C2(c3ccccc3)CCNCC2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362400 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(N4CCC[C@H](C)C4)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587362401 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(N4CCC[C@@H](C)C4)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587362405 JK Annotated Anodyne COc1cccc(-c2cc(C[C@@H]3CCCN3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362407 JK Annotated Anodyne COc1cccc(-c2cc(C[C@H]3CCCN3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362409 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCC4)nc3OC)nc3c2oc2ccccc23)c1 ZINC000587362428 JK Annotated Anodyne CCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(OCCC)c1 ZINC000587362430 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CCN(C(=O)OCc4ccccc4)C2)C3)c1 ZINC000587362433 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CCN(C(=O)OCc4ccccc4)C2)C3)c1 ZINC000587362434 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4cc(C)ccc4C)c3C)nc3c2oc2ccccc23)c1 ZINC000587362443 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(C#Cc4ccccc4)nc2CC3)c1 ZINC000587362445 JK Annotated Mild CCOC(=O)c1c[nH]c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2c1=O ZINC000587362447 JK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)[nH]c4ccc(OC)cc4c3=O)nc3c2oc2ccccc23)c1 ZINC000587362450 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(N4CCC(C)CC4)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587362456 JK Annotated Anodyne CCCC[C@@H](CC)COc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362464 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC000587362465 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362466 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C3)c1 ZINC000587362470 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1 ZINC000587362472 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1 ZINC000587362474 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C3)c1 ZINC000587362477 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c(CN4CCCC4)c3)nc3c2oc2ccccc23)c1 ZINC000587362480 JK Annotated Clean COc1cccc(-c2c(CC(=O)O)c(-c3ccc4c(c3)CCC(=O)N4)nc3c2oc2ccccc23)c1 ZINC000587362490 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C(=O)OCc2ccccc2)CC3)c1 ZINC000587362492 JK Annotated Anodyne COc1cccc(-c2c(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)nc3c2oc2ccccc23)c1 ZINC000587362497 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 ZINC000587362501 JK Annotated Anodyne COc1cccc(-c2cc(CCCN3C(=O)c4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362508 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587362512 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587362513 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587362514 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587362517 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@@H]2CN1 ZINC000587362524 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@H]2CN1 ZINC000587362525 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@H]2CN1 ZINC000587362528 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@@H]2CN1 ZINC000587362531 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccc4cc(OC)ccc4c3)c(C)nc3c2oc2ccccc23)c1 ZINC000587362541 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(C(=O)OCc2ccccc2)CCC3)c1 ZINC000587362542 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C[C@@H]2CN(C(=O)c4ccccc4)CC[C@@H]32)c1 ZINC000587362552 JK Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)c1 ZINC000587362573 JK Annotated Anodyne COC(=O)c1ccnc([C@H]2CCCc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)c1 ZINC000587362574 JK Annotated Anodyne CCOC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(C)nc1C ZINC000587362576 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)[C@@H](n2cncn2)[C@H]3c2ccccc2)c1 ZINC000587362608 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)[C@H](n2cncn2)[C@@H]3c2ccccc2)c1 ZINC000587362609 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)[C@H](n2cncn2)[C@H]3c2ccccc2)c1 ZINC000587362610 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)[C@@H](n2cncn2)[C@@H]3c2ccccc2)c1 ZINC000587362612 JK Annotated Anodyne COc1cccc(-c2cc(Cc3cc(OC)c(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587362632 JK Annotated Anodyne COC(=O)c1ccc(NC(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362662 JK Annotated Anodyne CCOC(=O)CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC(=O)OCC ZINC000587362670 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccccc3C(C)C)nc3c2oc2ccccc23)c1 ZINC000587362674 JK Annotated Anodyne COc1ccc(C(=O)Cc2c(CCC(=O)O)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)cc1 ZINC000587362681 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587362688 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccccc2[N+](=O)[O-])CC3)c1 ZINC000587362692 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccccc2[N+](=O)[O-])CC3)c1 ZINC000587362693 JK Annotated Bother CCc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587362695 JK Annotated Bother COc1cccc(-c2cc(CC(=O)OCc3ccc([N+](=O)[O-])cc3)nc3c2oc2ccccc23)c1 ZINC000587362699 JK Annotated Bother COC(=O)c1cccc(NC(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587362724 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)n(-c4ccccc4)c4ccc(O)cc34)nc3c2oc2ccccc23)c1 ZINC000587362734 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3c(C)cc(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587362742 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)c1 ZINC000587362779 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)c1 ZINC000587362781 JK Annotated Bother COc1cccc(-c2cc(-c3ccc4oc5cc(N)ccc5c4c3)nc3c2oc2ccccc23)c1 ZINC000587362782 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(-c4ccccc4)nn4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587362789 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587362835 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587362836 JK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)[nH]c4c(C)cccc4c3=O)nc3c2oc2ccccc23)c1 ZINC000587362840 JK Annotated Anodyne COC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CN1C(=O)OC(C)(C)C ZINC000587362846 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc4c(c3)C(C)(C)C(=O)N4)nc3c2oc2ccccc23)c1 ZINC000587362848 JK Annotated Anodyne COC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CN1C(=O)OC(C)(C)C ZINC000587362849 JK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587362872 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c(C)c3O)nc3c2oc2ccccc23)c1 ZINC000587362886 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(C)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587362916 JK Annotated Anodyne CCOC(=O)CCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362919 JK Annotated Anodyne CCCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1OC ZINC000587362933 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1 ZINC000587362935 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(CCCN2Cc2ccccc2)C3)c1 ZINC000587362936 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(CCCN2Cc2ccccc2)C3)c1 ZINC000587362938 JK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(C)(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362958 JK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](C(C)(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362959 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362961 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362962 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(OCc4cn5ccccc5n4)c3)nc3c2oc2ccccc23)c1 ZINC000587362970 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnn(-c4cccc(C)c4C)c2CC3)c1 ZINC000587362981 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362989 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362990 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(Cc4ccccc4)C[C@H]2C3)c1 ZINC000587362993 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(Cc4ccccc4)C[C@@H]2C3)c1 ZINC000587362995 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(Cc4ccccc4)C[C@H]2C3)c1 ZINC000587362997 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(Cc4ccccc4)C[C@@H]2C3)c1 ZINC000587363000 JK Annotated Anodyne COc1cccc(-c2c(CCCN3C(=O)c4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587363002 JK Annotated Anodyne CCOc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC(=O)O)cc1OCC ZINC000587363009 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363016 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(C)c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363017 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CCC3)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587363031 JK Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363033 JK Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363035 JK Annotated Anodyne CCCCC[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1CC(=O)OC ZINC000587363039 JK Annotated Anodyne CCCCC[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1CC(=O)OC ZINC000587363041 JK Annotated Anodyne CCCCC[C@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1CC(=O)OC ZINC000587363043 JK Annotated Anodyne CCCCC[C@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1CC(=O)OC ZINC000587363045 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC(=O)c4cnn(C)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363059 JK Annotated Anodyne COc1cccc(-c2cc(C[C@H]3COCCN3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587363061 JK Annotated Anodyne COc1cccc(-c2cc(C[C@@H]3COCCN3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587363062 JK Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@@H]2C[C@@H]1C(=O)O ZINC000587363065 JK Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@H]2C[C@H]1C(=O)O ZINC000587363066 JK Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@H]2C[C@@H]1C(=O)O ZINC000587363067 JK Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@@H]2C[C@H]1C(=O)O ZINC000587363068 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccccc3NC=O)nc3c2oc2ccccc23)c1 ZINC000587363071 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(NC(=O)OC(C)(C)C)cc2C3)c1 ZINC000587363087 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(NC(C)=O)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587363093 JK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587363116 JK Annotated Anodyne CC[C@@H](C)c1ccc(NC(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587363117 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587363119 JK Annotated Bother COc1cccc(-c2cc(-c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363124 JK Annotated Clean COc1cccc(-c2cc(CC(=O)Nc3cc(OC)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363129 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)OC(C)(C)C)c3C)nc3c2oc2ccccc23)c1 ZINC000587363159 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1CC2 ZINC000587363166 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](N=O)C(=O)Nc3ccccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363167 JK Annotated Anodyne COc1cccc(-c2cc([C@H](N=O)C(=O)Nc3ccccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363170 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(=O)c5cc(C)ccc5oc4nc3C)nc3c2oc2ccccc23)c1 ZINC000587363171 JK Annotated Bother COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)NCC(OC)OC)c3C)nc3c2oc2ccccc23)c1 ZINC000587363175 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363193 JK Annotated Bother COCCOCCCc1ccccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363226 JK Annotated Anodyne COc1cccc(-c2cc(COc3ccc(-c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363232 JK Annotated Anodyne COc1cccc(-c2c(Cc3c(C)[nH]c4c(C)cccc4c3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587363234 JK Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363244 JK Annotated Anodyne COc1cccc(-c2cc(COc3ccc(-c4ccc(C)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363259 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccccc2OCc2ccccc2)C3)c1 ZINC000587363275 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccccc2OCc2ccccc2)C3)c1 ZINC000587363276 JK Annotated Anodyne COc1cccc(-c2cc(Cc3cc(OC)c(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587363285 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587363287 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587363288 JK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1CC(=O)OC ZINC000587363289 JK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1CC(=O)OC ZINC000587363290 JK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1CC(=O)OC ZINC000587363291 JK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1CC(=O)OC ZINC000587363292 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587363309 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587363315 JK Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363317 JK Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363319 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587363346 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587363350 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1 ZINC000587363381 JK Annotated Anodyne COc1cccc(-c2cc([C@H]3CN(C(=O)OCc4ccccc4)CCO3)nc3c2oc2ccccc23)c1 ZINC000587363385 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CN(C(=O)OCc4ccccc4)CCO3)nc3c2oc2ccccc23)c1 ZINC000587363389 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363394 JK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363395 JK Annotated Anodyne COc1ccc(Cn2cc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)nn2)cc1 ZINC000587363403 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C3)c1 ZINC000587363405 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(OC)c(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587363406 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(CCCN2C(=O)OC(C)(C)C)C3)c1 ZINC000587363410 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(Cn4cccn4)c3)nc3c2oc2ccccc23)c1 ZINC000587363411 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OC2CN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587363417 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OC2CN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587363418 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C3)c1 ZINC000587363429 JK Annotated Anodyne CCN1C(=O)[C@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)C(=O)c2ccccc21 ZINC000587363458 JK Annotated Anodyne CCN1C(=O)[C@@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)C(=O)c2ccccc21 ZINC000587363459 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C2)c1 ZINC000587363460 JK Annotated Anodyne COc1cccc(-c2c([C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)CC3)cnc3c2oc2ccccc23)c1 ZINC000587363504 JK Annotated Anodyne CCCCCCc1c(-c2ccc(N)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363505 JK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587363541 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc([N+](=O)[O-])c(NC(C)=O)cc3O)nc3c2oc2ccccc23)c1 ZINC000587363557 JK Annotated Bother COc1cccc(-c2cc(/C(=C/N(C)C)n3cc([N+](=O)[O-])cn3)nc3c2oc2ccccc23)c1 ZINC000587363570 JK Annotated Bother COc1cccc(-c2cc(-c3ccc(O[C@@H](C)C(=O)NN)cc3)nc3c2oc2ccccc23)c1 ZINC000587363572 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(O[C@H](C)C(=O)NN)cc3)nc3c2oc2ccccc23)c1 ZINC000587363573 JK Annotated Reactive COc1cccc(-c2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587363599 JK Annotated Anodyne COc1cccc(-c2cc(Cc3nc(-c4ccc5c(c4)OCO5)no3)nc3c2oc2ccccc23)c1 ZINC000587363623 JK Annotated Anodyne COc1ccc(NN=C(C(C)=O)c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587363631 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc([N+](=O)[O-])c(OC)cc2CC3)c1 ZINC000587363632 JK Annotated Bother COc1cccc(-c2cc(CCc3c(C)[nH]c4ccccc4c3=O)nc3c2oc2ccccc23)c1 ZINC000587363636 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587363646 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc(-c4ccc(C)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363649 JK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc(-c4ccc(C)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363653 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3NC(=O)Oc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363659 JK Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363670 JK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc(-c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363672 JK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](O)c3cc([N+](=O)[O-])ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363673 JK Annotated Bother COc1cccc(-c2cc([C@@H](C)Oc3ccc(-c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363674 JK Annotated Anodyne COc1cccc(-c2cc(C[C@H](O)c3cc([N+](=O)[O-])ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363675 JK Annotated Bother COC(=O)C(=NNc1ccccc1OC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363677 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(cc(OC)c(OC)c2OC)CC3)c1 ZINC000587363727 JK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363747 JK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363748 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363749 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363750 JK Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587363754 JK Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363758 JK Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363759 JK Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363760 JK Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587363761 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4ccc(C)cc4)cc3O)nc3c2oc2ccccc23)c1 ZINC000587363776 JK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(-c4cccc5ncccc45)c3C)nc3c2oc2ccccc23)c1 ZINC000587363800 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)cc2[C@@H]3CC(=O)O)c1 ZINC000587363813 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)cc2[C@H]3CC(=O)O)c1 ZINC000587363816 JK Annotated Anodyne COc1cccc(-c2c(C3CCN(C(=O)OC(C)(C)C)CC3)cnc3c2oc2ccccc23)c1 ZINC000587363824 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4Cc5ccccc5C4=N)c3)nc3c2oc2ccccc23)c1 ZINC000587363828 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(OCC=C(C)C)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587363829 JK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC(=O)CCC(=O)O)cc1 ZINC000587363830 JK Annotated Anodyne COc1cccc(-c2c([C@@H]3CCC[C@H]3C(=O)O)c(-c3ccccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363833 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C=C(C(=O)O)NN3c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363837 JK Annotated Anodyne COc1cccc(-c2cc([C@H]3C=C(C(=O)O)NN3c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363838 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)CCN3C(=O)c4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587363842 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C(=O)OC(C)(C)C)CCC3)c1 ZINC000587363850 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(C3)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000587363857 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC[C@H]3CN2C(=O)OC(C)(C)C)c1 ZINC000587363870 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363882 JK Annotated Anodyne CCOC(=O)CCc1c(-c2ccccn2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363886 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC2(C3)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000587363888 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](NC(=O)OCc2ccccc2)CC3)c1 ZINC000587363896 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](NC(=O)OCc2ccccc2)CC3)c1 ZINC000587363898 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](N2C(=O)c4ccccc4C2=O)CCC3)c1 ZINC000587363901 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](N2C(=O)c4ccccc4C2=O)CCC3)c1 ZINC000587363903 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C[C@@H]2CCCCO2)C(=O)C3)c1 ZINC000587363910 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C[C@H]2CCCCO2)C(=O)C3)c1 ZINC000587363911 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](CNC(=O)OCc2ccccc2)C3)c1 ZINC000587363912 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](CNC(=O)OCc2ccccc2)C3)c1 ZINC000587363915 JK Annotated Anodyne COc1cccc(-c2cc(-c3c4c(c(OC)c5c3OCO5)CN(C)CC4)nc3c2oc2ccccc23)c1 ZINC000587363918 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587363922 JK Annotated Anodyne CCCC[C@@H](OC)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587363931 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C3)c1 ZINC000587363933 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C3)c1 ZINC000587363934 JK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]ccc3=NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587363937 JK Annotated Anodyne CCCC[C@H](OC)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587363938 JK Annotated Anodyne COc1cccc(-c2c(CCCO)c([C@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587363957 JK Annotated Anodyne COCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1OC ZINC000587363959 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](N2C(=O)c4ccccc4C2=O)CC3)c1 ZINC000587363969 JK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c12 ZINC000587363970 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](N2C(=O)c4ccccc4C2=O)CC3)c1 ZINC000587363972 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)/C=C/C(=O)O)cc3)nc3c2oc2ccccc23)c1 ZINC000587363983 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)/C=C\C(=O)O)cc3)nc3c2oc2ccccc23)c1 ZINC000587363985 JK Annotated Anodyne COc1cccc(-c2c(Cc3c(C)[nH]c4ccccc4c3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364000 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587364003 JK Annotated Bother COc1cccc(-c2cc(-c3ccc(OCCC(C)C)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587364018 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Nc4ccccc4)n[nH]c2CC3)c1 ZINC000587364028 JK Annotated Anodyne CCOC(=O)CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587364035 JK Annotated Anodyne CCn1c2ccccc2c2cc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)ccc21 ZINC000587364042 JK Annotated Anodyne COc1cccc(-c2c(C(C)C)c([C@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587364068 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](NC(=O)OC(C)(C)C)CCCC3)c1 ZINC000587364073 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](NC(=O)OC(C)(C)C)CCCC3)c1 ZINC000587364075 JK Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364080 JK Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364082 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(OC)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587364083 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3CC(C)(OC)OC)nc3c2oc2ccccc23)c1 ZINC000587364087 JK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H](C)C(=O)O)cc1 ZINC000587364107 JK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H](C)C(=O)O)cc1 ZINC000587364108 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)nn4c5ccccc5n(C)c34)nc3c2oc2ccccc23)c1 ZINC000587364122 JK Annotated Anodyne CCCCCc1c(-c2cccc(OC)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364144 JK Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587364151 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587364152 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587364153 JK Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587364155 JK Annotated Anodyne COc1cccc(OC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)c1 ZINC000587364159 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4[nH]cc(C(=O)O)c(=O)c4c3)nc3c2oc2ccccc23)c1 ZINC000587364161 JK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(OCC=C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587364168 JK Annotated Anodyne COc1ccc(Oc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587364170 JK Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364171 JK Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364172 JK Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C(=O)OCC ZINC000587364175 JK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1c1ccccc1 ZINC000587364193 JK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1c1ccccc1 ZINC000587364194 JK Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1c1ccccc1 ZINC000587364195 JK Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1c1ccccc1 ZINC000587364196 JK Annotated Anodyne CCOC(=O)CCc1c(CC(=O)OCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364197 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587364204 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(-c4ccco4)nc3=S)nc3c2oc2ccccc23)c1 ZINC000587364208 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)NCCC(=O)O)c(-c3cccs3)nc3c2oc2ccccc23)c1 ZINC000587364209 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Cc4ccc(Cl)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587364210 JK Annotated Anodyne COc1cccc(-c2cc(-c3sccc3-c3cccc(C=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364234 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCc4ccccc4)C[C@H]32)c1 ZINC000587364237 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OCc4ccccc4)C[C@H]32)c1 ZINC000587364238 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OCc4ccccc4)C[C@@H]32)c1 ZINC000587364239 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCc4ccccc4)C[C@@H]32)c1 ZINC000587364241 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(C(=O)O)cc4c2C(C)(C)C3)c1 ZINC000587364244 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CC3)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587364256 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(=O)c5ccccc5oc4nc3C)nc3c2oc2ccccc23)c1 ZINC000587364267 JK Annotated Bother COc1cccc(-c2cc(-c3cnc(N4CCCCC4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587364269 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\N(C)C)N(C(=O)OC(C)(C)C)CC3)c1 ZINC000587364270 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/N(C)C)N(C(=O)OC(C)(C)C)CC3)c1 ZINC000587364271 JK Annotated Anodyne CNS(=O)(=O)c1sccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364280 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc4nc(O)[nH]c4c3)nc3c2oc2ccccc23)c1 ZINC000587364296 JK Annotated Anodyne CCc1c(-c2cc3cccc(OC)c3oc2=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364308 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N2C(=O)c4ccccc4C2=O)C3)c1 ZINC000587364317 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N2C(=O)c4ccccc4C2=O)C3)c1 ZINC000587364319 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](CN2C(=O)c4ccccc4C2=O)C3)c1 ZINC000587364324 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](CN2C(=O)c4ccccc4C2=O)C3)c1 ZINC000587364325 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)nc3c2oc2ccccc23)c1 ZINC000587364326 JK Annotated Anodyne COc1cccc(-c2cc([C@H]3[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)nc3c2oc2ccccc23)c1 ZINC000587364327 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000587364333 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C(=O)Oc2ccccc2)CC3)c1 ZINC000587364334 JK Annotated Anodyne CCOC(=O)C1CCN(C(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CC1 ZINC000587364348 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(SC(=O)N(C)C)cc2CC3)c1 ZINC000587364352 JK Annotated Anodyne COc1cccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc3c2oc2ccccc23)c1 ZINC000587364357 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(S(N)(=O)=O)c(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587364361 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)nc3c2oc2ccccc23)c1 ZINC000587364374 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364375 JK Annotated Anodyne COc1cccc(-c2cc([C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)nc3c2oc2ccccc23)c1 ZINC000587364376 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(Cl)sc3Cl)nc3c2oc2ccccc23)c1 ZINC000587364386 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587364387 JK Annotated Unstable COc1cccc(-c2c(C)c(-c3c(C)nn(CCS(C)(=O)=O)c3C)nc3c2oc2ccccc23)c1 ZINC000587364391 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](CN3C(=O)c4ccccc4C3=O)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587364400 JK Annotated Anodyne COc1cccc(-c2cc([C@H](CN3C(=O)c4ccccc4C3=O)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587364402 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(C(=O)OCc2ccccc2)CC3)c1 ZINC000587364404 JK Annotated Anodyne COc1cccc(-c2cc(CCCCN3C(=O)c4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364407 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3ccc(C)s3)c(CCC(=O)O)nc3c2oc2ccccc23)c1 ZINC000587364413 JK Annotated Anodyne COc1cccc(-c2cc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587364420 JK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4ccccc4S3(=O)=O)nc3c2oc2ccccc23)c1 ZINC000587364422 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4C[C@@H](C)CS4(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364425 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4C[C@H](C)CS4(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364426 JK Annotated Anodyne COc1cccc(-c2cc([C@H](SCc3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587364429 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](SCc3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587364430 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CS(=O)(=O)Cl)CC[C@H]3C2(C)C)c1 ZINC000587364437 JK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CS(=O)(=O)Cl)CC[C@@H]3C2(C)C)c1 ZINC000587364438 JK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CS(=O)(=O)Cl)CC[C@H]3C2(C)C)c1 ZINC000587364439 JK Annotated Unstable COc1cccc(-c2cc(-c3ccc(O)c(CSc4ncccn4)c3)nc3c2oc2ccccc23)c1 ZINC000587364443 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587364445 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Cc4ccc(C(C)=O)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364458 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3OC(=O)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587364507 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4ccc5ccccc5c4c3)nc3c2oc2ccccc23)c1 ZINC000587364531 JK Annotated Bother COc1cccc(-c2c(CCCCCCCCCCCC(C)=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364536 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC3)c1 ZINC000587364550 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC3)c1 ZINC000587364551 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC3)c1 ZINC000587364552 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC3)c1 ZINC000587364553 JK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1CN1CCCCC1 ZINC000587364558 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587364561 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C3)c1 ZINC000587364562 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c(CN4CCCCCC4)c3)nc3c2oc2ccccc23)c1 ZINC000587364563 JK Annotated Clean COc1cccc(-c2c(CCN3C(=O)c4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364573 JK Annotated Anodyne CCCN1C(=O)[C@](O)(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c2ccccc21 ZINC000587364579 JK Annotated Anodyne CCCN1C(=O)[C@@](O)(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c2ccccc21 ZINC000587364580 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@]2(CC3)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000587364584 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@]2(CC3)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000587364585 JK Annotated Anodyne COc1cccc(-c2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587364586 JK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587364587 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587364598 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364601 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587364603 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587364604 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364606 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(NC(C)=O)c(C(=O)O)c3C)nc3c2oc2ccccc23)c1 ZINC000587364614 JK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364636 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587364637 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587364640 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364641 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3ccc(SC)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587364650 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccn3S(=O)(=O)c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587364682 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3cccs3)c(-c3cccs3)nc3c2oc2ccccc23)c1 ZINC000587364733 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(C(C)C)cc2)c1 ZINC000587364761 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(C(C)C)cc2)c1 ZINC000587364765 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)nc3c2oc2ccccc23)c1 ZINC000587364791 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(S(=O)(=O)N(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587364795 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587364807 JK Annotated Anodyne COc1cccc(-c2c(CCCl)c(-c3ccc(Cl)s3)nc3c2oc2ccccc23)c1 ZINC000587364811 JK Annotated Reactive C=CCNS(=O)(=O)c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587364834 JK Annotated Mild COc1ccc(-c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)s2)cc1 ZINC000587364849 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)ccc2S(=O)(=O)CC3)c1 ZINC000587364857 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Sc4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364864 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587364867 JK Annotated Unstable C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCc4cc(-c5cccc(OC)c5)c5oc6ccccc6c5n4)[C@@H]3C[C@H]12 ZINC000587364882 JK Annotated Mild CCCCCCCCCCCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364888 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](S(=O)(=O)c2ccc(C)cc2)CCC3)c1 ZINC000587364908 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](S(=O)(=O)c2ccc(C)cc2)CCC3)c1 ZINC000587364910 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(OC(=O)c4ccccc4)c2C3)c1 ZINC000587364913 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC(C)=O)cc(OC(C)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364925 JK Annotated Anodyne CCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364948 JK Annotated Mild COc1cccc(-c2c(CCc3ccccc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587364953 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(C3(O)CCCCC3)nc3c2oc2ccccc23)c1 ZINC000587364958 JK Annotated Anodyne COc1cccc(-c2cc(-c3c4ccccc4cc4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587364992 JK Annotated Bother COc1cccc(-c2cc(CCc3ccc(OC[C@H]4CO4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365025 JK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(OC[C@@H]4CO4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365026 JK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587365042 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)Nc3ccccc3S4)nc3c2oc2ccccc23)c1 ZINC000587365050 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC4=NCCCS4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365058 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc4c(c3C)C(=O)N/C(=C/Cl)N4)nc3c2oc2ccccc23)c1 ZINC000587365080 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCCCCCCCCC[C@H]3C)c1 ZINC000587365081 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCCCCCCCCC[C@@H]3C)c1 ZINC000587365082 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc4c(c3C)C(=O)N/C(=C\Cl)N4)nc3c2oc2ccccc23)c1 ZINC000587365086 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(SC)cc3)nc3c2oc2ccccc23)c1 ZINC000587365094 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587365105 JK Annotated Bother CCc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCC(=O)O)cc1 ZINC000587365113 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc4nc(C)c(C)c(C)c4c3N)nc3c2oc2ccccc23)c1 ZINC000587365162 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587365164 JK Annotated Mild COc1cccc(-c2cc(-c3ccc(OC)c(CS(C)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587365174 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc5sccc5c4)o3)nc3c2oc2ccccc23)c1 ZINC000587365191 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4cccnc4)nc2CC3)c1 ZINC000587365244 JK Annotated Anodyne COc1cccc(-c2c(CCCl)c(-c3ccc(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587365250 JK Annotated Reactive COc1cccc(-c2c(C)c(-c3ccc(OC(=O)C(C)(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587365251 JK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(C3C(=O)CC(C)(C)CC3=O)nc3c2oc2ccccc23)c1 ZINC000587365258 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(-c4ccc(Cl)cc4)s3)nc3c2oc2ccccc23)c1 ZINC000587365261 JK Annotated Anodyne COCCCNc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 ZINC000587365264 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C2CCC4(CC2)OCCO4)C3)c1 ZINC000587365306 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4cnc(Cl)s4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365310 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C2CCC4(CC2)OCCO4)C3)c1 ZINC000587365317 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)Cc3cc(C(C)=O)ccc3-4)nc3c2oc2ccccc23)c1 ZINC000587365344 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Oc4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365346 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(S(=O)(=O)Cl)ccc2C3)c1 ZINC000587365347 JK Annotated Unstable CCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCCC ZINC000587365350 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4c(cc2CC3)CCc2ccccc2-4)c1 ZINC000587365368 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(O)c(C)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365371 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Nc4ccc(Cl)cn4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365378 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccc(Cl)cc4)nc2CC3)c1 ZINC000587365408 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](C(C)=O)C34CC5CC(CC(C5)C3)C4)nc3c2oc2ccccc23)c1 ZINC000587365414 JK Annotated Anodyne COc1cccc(-c2cc([C@H](C(C)=O)C34CC5CC(CC(C5)C3)C4)nc3c2oc2ccccc23)c1 ZINC000587365416 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)sc3C)nc3c2oc2ccccc23)c1 ZINC000587365423 JK Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)ccc1Cl ZINC000587365432 JK Annotated Anodyne CCCCc1c(C2=Cc3cc(OC)ccc3OC2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587365434 JK Annotated Anodyne CCCCCCCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587365439 JK Annotated Mild CCS(=O)(=O)Nc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587365442 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(S(=O)(=O)Cl)ccc2CC3)c1 ZINC000587365469 JK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]32)c1 ZINC000587365488 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]32)c1 ZINC000587365492 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]32)c1 ZINC000587365497 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]32)c1 ZINC000587365500 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(S(=O)(=O)Cl)ccc3C)nc3c2oc2ccccc23)c1 ZINC000587365503 JK Annotated Unstable COc1cccc(-c2cc([C@H](C(C)=O)c3ccccc3C(=O)O)nc3c2oc2ccccc23)c1 ZINC000587365514 JK Annotated Anodyne COc1cccc(-c2cc([C@@H](C(C)=O)c3ccccc3C(=O)O)nc3c2oc2ccccc23)c1 ZINC000587365515 JK Annotated Anodyne CCCCCCc1c(-c2ccc(O)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587365517 JK Annotated Anodyne CCC(C)(C)c1cc(C(C)=O)c(O)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587365525 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3C)C(C)(C)[C@H](C)C4(C)C)nc3c2oc2ccccc23)c1 ZINC000587365551 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3C)C(C)(C)[C@@H](C)C4(C)C)nc3c2oc2ccccc23)c1 ZINC000587365554 JK Annotated Anodyne CCCCCCCCCCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587365569 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(C(C)(C)C)cc2)c1 ZINC000587365591 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)c3ccccc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587365593 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(C(C)(C)C)cc2)c1 ZINC000587365595 JK Annotated Anodyne CCCCCCCCCCCCc1c(CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587365604 JK Annotated Mild CCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587365617 JK Annotated Anodyne CCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587365621 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccc(O)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365639 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc3c2oc2ccccc23)c1 ZINC000587365675 JK Annotated Bother COc1cccc(-c2cc(-c3sc(NC[C@@H]4CCCO4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365709 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(NC[C@H]4CCCO4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365711 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(CCc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587365741 JK Annotated Anodyne CCCCCCCCCCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587365760 JK Annotated Mild COC(=O)c1sc2ncc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2c1C ZINC000587365770 JK Annotated Anodyne CCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCC ZINC000587365773 JK Annotated Mild COc1cccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc3c2oc2ccccc23)c1 ZINC000587365783 JK Annotated Bother CCCc1sc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1Br ZINC000587365790 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccccc4[N+](=O)[O-])s3)nc3c2oc2ccccc23)c1 ZINC000587365802 JK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CS(N)(=O)=O)CC[C@@H]3C2(C)C)c1 ZINC000587365814 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CS(N)(=O)=O)CC[C@H]3C2(C)C)c1 ZINC000587365821 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(Br)nc2CC3)c1 ZINC000587365823 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cccc(S(=O)(=O)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587365824 JK Annotated Unstable COc1cccc(-c2c(Cc3ccc(Br)s3)c(C(C)C)nc3c2oc2ccccc23)c1 ZINC000587365836 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Nc4nc5ccccc5s4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365842 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCC=CCCCCCCCCC3)c1 ZINC000587365895 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2C(C)(C)[C@H]4CC[C@@]2(C4)C(C)(C)C3)c1 ZINC000587365902 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C(C)(C)[C@H]4CC[C@@]2(C4)C(C)(C)C3)c1 ZINC000587365908 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccc(C)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365988 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366006 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366021 JK Annotated Anodyne CCSc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(Cl)c1Cl ZINC000587366027 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(CC(=O)O)=C(c2cccs2)C3)c1 ZINC000587366030 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(Cl)s3)nc3c2oc2ccccc23)c1 ZINC000587366042 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(Cl)cc4)s3)nc3c2oc2ccccc23)c1 ZINC000587366044 JK Annotated Anodyne CCCCCCCCCCCCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366074 JK Annotated Mild COc1cccc(-c2cc(-c3ccc(O)c(CSC4=NCCS4)c3)nc3c2oc2ccccc23)c1 ZINC000587366095 JK Annotated Anodyne COc1cccc(-c2cc(-c3csc(-c4csc(C)n4)c3)nc3c2oc2ccccc23)c1 ZINC000587366097 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(C)(C)C)cc4c3CCC4(C)C)nc3c2oc2ccccc23)c1 ZINC000587366107 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc4nc(C)cc(C)c4c3N)nc3c2oc2ccccc23)c1 ZINC000587366111 JK Annotated Anodyne CCN1/C(=C/c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)Sc2ccccc21 ZINC000587366136 JK Annotated Anodyne CCN1/C(=C\c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)Sc2ccccc21 ZINC000587366138 JK Annotated Anodyne CCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366146 JK Annotated Mild COc1cccc(-c2cc([C@H]3C[C@]4(O)[C@@H](C(C)C)CC[C@]4(C)C[C@@H]3O)nc3c2oc2ccccc23)c1 ZINC000587366155 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccc(C)n4C)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366161 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(Cc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366166 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3C)C(C)(C)[C@@H](C)CC4(C)C)nc3c2oc2ccccc23)c1 ZINC000587366169 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(C)cc(C)c3O)nc3c2oc2ccccc23)c1 ZINC000587366174 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3C)C(C)(C)[C@H](C)CC4(C)C)nc3c2oc2ccccc23)c1 ZINC000587366175 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4cnccn4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366196 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(C(C)(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587366202 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(NC(=O)CCC(=O)O)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366213 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=CC(c2ccccc2)(c2ccccc2)C3)c1 ZINC000587366225 JK Annotated Anodyne COc1cccc(-c2cc(Cc3nc(=NC(=O)c4ccccc4)s[nH]3)nc3c2oc2ccccc23)c1 ZINC000587366236 JK Annotated Anodyne COc1cccc(-c2cc(C34C[C@H]5C[C@@H](CC(C(=O)O)(C5)C3)C4)nc3c2oc2ccccc23)c1 ZINC000587366253 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)S1 ZINC000587366254 JK Annotated Anodyne CC[C@H]1CN=C(Nc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)S1 ZINC000587366257 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(Nc4ccc(Cl)cn4)s3)nc3c2oc2ccccc23)c1 ZINC000587366288 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccc(Cl)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366292 JK Annotated Anodyne CCOC(=O)Nc1snc(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587366303 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4C(=C2C3)CC[C@H]2[C@@H](O)CC[C@@H]42)c1 ZINC000587366333 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4C(=C2C3)CC[C@@H]2[C@@H](O)CC[C@@H]42)c1 ZINC000587366334 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3cc(C)cc(C)c3)nc3c2oc2ccccc23)c1 ZINC000587366337 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCCCCCCCC=CCC3)c1 ZINC000587366340 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(OC[C@@H]4CO4)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587366355 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(OC[C@H]4CO4)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587366371 JK Annotated Anodyne COc1cccc(-c2cc(-c3coc4c3cc(O)c3ccccc34)nc3c2oc2ccccc23)c1 ZINC000587366376 JK Annotated Anodyne COc1cccc(-c2c(CC(C)=O)c(-c3ccc(S(C)(=O)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587366377 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC[C@@H]4CO4)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587366386 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC[C@H]4CO4)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587366387 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587366390 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)nc3c2oc2ccccc23)c1 ZINC000587366392 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)CCC(=O)O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366400 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](Cc4c(C)nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@@H]3C[C@H]12 ZINC000587366401 JK Annotated Mild COc1cccc(-c2cc(CCC(=O)c3ccc(SC)cc3)nc3c2oc2ccccc23)c1 ZINC000587366419 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC4CCOCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366421 JK Annotated Anodyne CCc1c(-c2ccc3c(c2)nc(S)n3CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366423 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc4c(c3)CCCC4)nc3c2oc2ccccc23)c1 ZINC000587366450 JK Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366455 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3ccccc3O)nc3c2oc2ccccc23)c1 ZINC000587366457 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Oc4ccccc4)ccc2CC3)c1 ZINC000587366491 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587366492 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366500 JK Annotated Mild CCCCCCCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366501 JK Annotated Mild COc1cccc(-c2c(CC(=O)CCC(=O)O)c(-c3cccs3)nc3c2oc2ccccc23)c1 ZINC000587366520 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(C3(C)CCCCC3)nc3c2oc2ccccc23)c1 ZINC000587366521 JK Annotated Anodyne CCCCCCCCCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587366530 JK Annotated Mild COc1cccc(-c2c(C)c(-c3cc(Br)c(C)s3)nc3c2oc2ccccc23)c1 ZINC000587366538 JK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Cl)c(S(N)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587366546 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(S(=O)(=O)Cl)c(Cl)cc2C3)c1 ZINC000587366559 JK Annotated Unstable CCc1c([C@@H](CC)Sc2ccoc2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366561 JK Annotated Anodyne COc1cccc(-c2cc(CC(=O)C34CC5CC(CC(C5)C3)C4)nc3c2oc2ccccc23)c1 ZINC000587366562 JK Annotated Anodyne CCCCCCCCCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366563 JK Annotated Mild CCc1c([C@H](CC)Sc2ccoc2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366564 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3ccccc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366565 JK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366567 JK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(CP(=O)(OC)OC)nc3c2oc2ccccc23)c1 ZINC000587366568 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3cccs3)c(CCC(=O)O)nc3c2oc2ccccc23)c1 ZINC000587366569 JK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366572 JK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366574 JK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366575 JK Annotated Anodyne COc1cccc(-c2cc(CSc3nnnn3-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366576 JK Annotated Anodyne CCCCCCCCCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366582 JK Annotated Mild COc1cccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc3c2oc2ccccc23)c1 ZINC000587366586 JK Annotated Bother COc1cccc(-c2c(CC(=O)O)c(CCC(=O)c3cccs3)nc3c2oc2ccccc23)c1 ZINC000587366610 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccn(S(=O)(=O)c4ccccc4)c3)nc3c2oc2ccccc23)c1 ZINC000587366625 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Cl)c(S(N)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587366626 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)nn(CCS(C)(=O)=O)c3C)nc3c2oc2ccccc23)c1 ZINC000587366643 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587366646 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)sc2CC3)c1 ZINC000587366695 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(C(C)=O)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366706 JK Annotated Anodyne CCc1c(-c2ccc(Oc3ccccc3)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366713 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)-c2nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c2CC3)cc1 ZINC000587366747 JK Annotated Anodyne CCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366751 JK Annotated Mild C=CCc1c(/C=C\[C@@H]2C(C)=CCCC2(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366766 JK Annotated Mild C=CCc1c(/C=C\[C@H]2C(C)=CCCC2(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366768 JK Annotated Mild C=CCc1c(/C=C/[C@H]2C(C)=CCCC2(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366771 JK Annotated Mild C=CCc1c(/C=C/[C@@H]2C(C)=CCCC2(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366774 JK Annotated Mild COc1cccc(-c2c(CCCC(=O)O)c(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587366790 JK Annotated Anodyne CCCCCCCCCCCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366791 JK Annotated Mild CCCC/C=C\CCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366851 JK Annotated Anodyne CCCC/C=C/CCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366852 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4C(=CCc5cc(O)ccc54)[C@@H]2C3)c1 ZINC000587366916 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccc(C)cc4)nc2CC3)c1 ZINC000587366926 JK Annotated Anodyne COc1cccc(-c2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc3c2oc2ccccc23)c1 ZINC000587366951 JK Annotated Bother COc1cccc(-c2c(CCC(=O)O)c(-c3c(C)cc(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587366966 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)CCCCCCCCCCC3)c1 ZINC000587366980 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)CCCCCCCCCCC3)c1 ZINC000587366983 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)c4csc(C)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366996 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Cc4ccccc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367000 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SC4CCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587367006 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](O)(c2ccc4c(c2)OCO4)C3)c1 ZINC000587367010 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](O)(c2ccc4c(c2)OCO4)C3)c1 ZINC000587367011 JK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587367013 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SCC(=O)O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587367014 JK Annotated Anodyne C=CCNS(=O)(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587367024 JK Annotated Mild COc1cccc(-c2cc(-c3cc(S(N)(=O)=O)c(Cl)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587367030 JK Annotated Anodyne COc1cccc(-c2cc(CS(=O)(=O)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587367032 JK Annotated Anodyne COC(=O)c1sccc1O[C@@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587367033 JK Annotated Anodyne COC(=O)c1sccc1O[C@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587367034 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OCc3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c12 ZINC000587367039 JK Annotated Anodyne COc1cccc(-c2c(CC(C)=O)c(-c3ccc(SC)cc3)nc3c2oc2ccccc23)c1 ZINC000587367053 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C)c(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587367064 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)ccc12 ZINC000587367065 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@@H](C)c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)ccc12 ZINC000587367066 JK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)nc(-c4ccccc4)nc3S)nc3c2oc2ccccc23)c1 ZINC000587367077 JK Annotated Anodyne COc1cccc(-c2c(C)c(CSc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587367085 JK Annotated Bother COc1cccc(-c2c(CC(=O)c3ccc(S(C)(=O)=O)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587367088 JK Annotated Anodyne CCCCc1c(CP(=O)(OC)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367089 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC4(C[C@@H]32)OCC(C)(C)CO4)c1 ZINC000587367092 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC4(C[C@H]32)OCC(C)(C)CO4)c1 ZINC000587367093 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC4(C[C@H]32)OCC(C)(C)CO4)c1 ZINC000587367094 JK Annotated Anodyne CCCCCc1cc2c(s1)CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367099 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccccc4)nc2CC3)c1 ZINC000587367109 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC4(C[C@@H]32)OCC(C)(C)CO4)c1 ZINC000587367140 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CS(=O)(=O)O)CC[C@H]3C2(C)C)c1 ZINC000587367156 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(CS(=O)(=O)O)CC[C@@H]3C2(C)C)c1 ZINC000587367162 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CS(=O)(=O)O)CC[C@H]3C2(C)C)c1 ZINC000587367170 JK Annotated Anodyne C=C1CC(c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCCC2OCCO2)C1 ZINC000587367171 JK Annotated Mild COc1ccc(Cc2c(C3(O)CCCCC3)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)cc1 ZINC000587367184 JK Annotated Anodyne COc1cccc(-c2c(CCO)c(CC(=O)c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587367232 JK Annotated Anodyne CCc1ccc(Nc2ncc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)s2)cc1 ZINC000587367234 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Nc4cccnc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367238 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)CCC(=O)O)c(-c3ccc(C)s3)nc3c2oc2ccccc23)c1 ZINC000587367244 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1)C1CC1 ZINC000587367257 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Nc4cc(C)ccc4C)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367264 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](O)(c2ccc(C(C)C)cc2)C3)c1 ZINC000587367271 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](O)(c2ccc(C(C)C)cc2)C3)c1 ZINC000587367276 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(Nc4cccnc4)s3)nc3c2oc2ccccc23)c1 ZINC000587367294 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CCc4c(ccc5cc(O)ccc45)[C@@H]2C3)c1 ZINC000587367320 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3csc4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587367350 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(NCCCC(=O)O)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367360 JK Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587367439 JK Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587367440 JK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587367441 JK Annotated Anodyne CCCCCCCCCCCC[C@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587367454 JK Annotated Mild CCCCCCCCCCCC[C@@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587367455 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(C)(C)C2CCC(=O)CC2)C3)c1 ZINC000587367466 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C(C)(C)C2CCC(=O)CC2)C3)c1 ZINC000587367467 JK Annotated Anodyne CCN1/C(=C\c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)Sc2ccc(OC)cc21 ZINC000587367489 JK Annotated Anodyne CCN1/C(=C/c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)Sc2ccc(OC)cc21 ZINC000587367491 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Nc4ccccc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367494 JK Annotated Anodyne COc1cccc(-c2cc(-c3cnc4sc(C(=O)O)c(C)c4c3)nc3c2oc2ccccc23)c1 ZINC000587367500 JK Annotated Anodyne COc1cccc(-c2cc(-c3sc4nc(C)nc(C)c4c3C)nc3c2oc2ccccc23)c1 ZINC000587367511 JK Annotated Anodyne COc1ccc(-c2nc(C)c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)s2)cc1 ZINC000587367514 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(N)nc2C[C@H]3c2ccccc2)c1 ZINC000587367538 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(N)nc2C[C@@H]3c2ccccc2)c1 ZINC000587367540 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587367549 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587367553 JK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)C(C)(C)CCS4)nc3c2oc2ccccc23)c1 ZINC000587367558 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1CC2 ZINC000587367679 JK Annotated Anodyne COc1cccc(-c2c(CC3OCCCO3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587367702 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@](CCC(=O)O)(c2ccccc2)CCC3)c1 ZINC000587367706 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@](CCC(=O)O)(c2ccccc2)CCC3)c1 ZINC000587367708 JK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587367710 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587367718 JK Annotated Mild CCCCCCCCCCCCCC[C@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587367719 JK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccc([C@H](C)C(=O)O)cc2)CC3)c1 ZINC000587367787 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccc([C@@H](C)C(=O)O)cc2)CC3)c1 ZINC000587367788 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccc([C@H](C)C(=O)O)cc2)CC3)c1 ZINC000587367789 JK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccc([C@@H](C)C(=O)O)cc2)CC3)c1 ZINC000587367790 JK Annotated Anodyne COc1cccc(-c2c(CC(=O)c3ccccc3)c(CCC(=O)O)nc3c2oc2ccccc23)c1 ZINC000587367870 JK Annotated Anodyne Oc1nc(O)c2ccc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(Cl)cc3)nc2n1 ZINC000587368068 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1cc2c(O)nc(O)nc2nc1C(F)(F)F ZINC000587368090 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1cc2c(O)nc(O)nc2nc1C(F)(F)F ZINC000587368091 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1cc2c(O)nc(O)nc2nc1C(F)(F)F ZINC000587368093 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1cc2c(O)nc(O)nc2nc1C(F)(F)F ZINC000587368094 JK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368290 JK Annotated Anodyne CCOc1ccc(-c2c(-c3ccc4c(O)nc(O)nc4n3)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587368562 JK Annotated Anodyne Oc1nc(O)c2ccc(/C=C/c3ccccc3Oc3ccc(Br)cc3F)nc2n1 ZINC000587368792 JK Annotated Anodyne N#CSC[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368838 JK Annotated Reactive N#CSC[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368841 JK Annotated Reactive N#CSC[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368842 JK Annotated Reactive N#CSC[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368843 JK Annotated Reactive CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)c5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587369256 JK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587369493 JK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587369494 JK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587369495 JK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587369496 JK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369506 JK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369507 JK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369508 JK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369509 JK Annotated Anodyne Cn1ccnc1SC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369519 JK Annotated Anodyne Cn1ccnc1SC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369520 JK Annotated Anodyne Cn1ccnc1SC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369521 JK Annotated Anodyne Cn1ccnc1SC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369522 JK Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587369575 JK Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587369576 JK Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587369577 JK Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587369578 JK Annotated Anodyne CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369584 JK Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369585 JK Annotated Bother CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369586 JK Annotated Bother CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369587 JK Annotated Bother CCCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc2cc(N(C)C)ccc2c1 ZINC000587369622 JK Annotated Mild C[C@@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369640 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369641 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369642 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369643 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369656 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369657 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369658 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369659 JK Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3)nc2n1 ZINC000587369677 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587369773 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nc3ccccc3[nH]2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587369774 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587369775 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nc3ccccc3[nH]2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587369776 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(SCc4ccccc4)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587369870 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(SCc4ccccc4)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587369871 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(SCc4ccccc4)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587369872 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(SCc4ccccc4)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587369873 JK Annotated Anodyne O=C(O)CSC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370000 JK Annotated Anodyne O=C(O)CSC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370002 JK Annotated Anodyne O=C(O)CSC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370003 JK Annotated Anodyne O=C(O)CSC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370005 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)cc3c(C)cccn13)O2 ZINC000587370062 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)cc3c(C)cccn13)O2 ZINC000587370063 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 ZINC000587370096 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 ZINC000587370097 JK Annotated Mild N#CSC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370118 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370119 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370120 JK Annotated Reactive N#CSC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370121 JK Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370128 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370129 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370130 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370131 JK Annotated Anodyne CCSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587370158 JK Annotated Anodyne CCSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587370159 JK Annotated Anodyne CCSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587370160 JK Annotated Anodyne CCSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587370161 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(Br)cc13)O2 ZINC000587370200 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(Br)cc13)O2 ZINC000587370203 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(NC(=O)OC(C)(C)C)(c3ccc(Br)cc3)C1)O2 ZINC000587370258 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(Br)c1 ZINC000587370290 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(Br)c1 ZINC000587370291 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(Br)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587370335 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(Br)sc32)[C@H]1c1ccc(F)cc1 ZINC000587370338 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(Br)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587370339 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(Br)sc32)[C@H]1c1ccc(F)cc1 ZINC000587370340 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2 ZINC000587370355 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2 ZINC000587370356 JK Annotated Reactive CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370411 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370415 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370416 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370417 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)O2 ZINC000587370439 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)O2 ZINC000587370442 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N=Nc3ccccc3)cc1)O2 ZINC000587370460 JK Annotated Reactive N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370463 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N=Nc3ccccc3)cc1)O2 ZINC000587370464 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370465 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370467 JK Annotated Reactive N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370468 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1ccc(Br)cc1)O2 ZINC000587370554 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1ccc(Br)cc1)O2 ZINC000587370555 JK Annotated Anodyne Nc1c([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587370591 JK Annotated Anodyne Nc1c([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587370594 JK Annotated Anodyne Nc1c([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587370597 JK Annotated Anodyne Nc1c([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587370600 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370612 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370613 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370615 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370616 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1cccc(Br)c1 ZINC000587370636 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1cccc(Br)c1 ZINC000587370639 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587370694 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587370697 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587370699 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587370700 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cc(Cl)sc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587370774 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc(Cl)sc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587370776 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cc(Cl)sc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587370778 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cc(Cl)sc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587370779 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OCc3ccccc3)cc1)O2 ZINC000587370795 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OCc3ccccc3)cc1)O2 ZINC000587370797 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 ZINC000587370812 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 ZINC000587370813 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 ZINC000587370814 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)O2 ZINC000587370815 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587370833 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587370837 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587370839 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587370841 JK Annotated Anodyne C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370849 JK Annotated Bother C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370852 JK Annotated Bother C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370854 JK Annotated Bother C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370856 JK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587370861 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@H](c3ccccc3)S[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587370868 JK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@H](c3ccccc3)S[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587370871 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587370873 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)O2 ZINC000587370896 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)O2 ZINC000587370897 JK Annotated Reactive Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370906 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370911 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370914 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370916 JK Annotated Anodyne N#CSC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370937 JK Annotated Reactive N#CSC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370939 JK Annotated Reactive N#CSC[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370940 JK Annotated Reactive N#CSC[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370941 JK Annotated Reactive CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587370960 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587370965 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)O2 ZINC000587370972 JK Annotated Reactive CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587370973 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587370976 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)O2 ZINC000587370977 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370980 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370990 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370993 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370995 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccccc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587371001 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccccc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587371005 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccccc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587371006 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccccc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587371008 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1)O2 ZINC000587371061 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1)O2 ZINC000587371073 JK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371100 JK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371104 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)O2 ZINC000587371185 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)O2 ZINC000587371189 JK Annotated Reactive CSc1ccc(C(=O)CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371216 JK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371220 JK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371222 JK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371224 JK Annotated Anodyne N#CC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371226 JK Annotated Mild N#CC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371230 JK Annotated Mild N#CC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371233 JK Annotated Mild N#CC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371236 JK Annotated Mild C[C@@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371237 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371244 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371245 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371247 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587371258 JK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2cccs2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587371259 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587371262 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc4cc(Br)ccc4c3)o1)O2 ZINC000587371263 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587371264 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccs2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587371265 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc4cc(Br)ccc4c3)o1)O2 ZINC000587371267 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587371268 JK Annotated Anodyne C[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371269 JK Annotated Anodyne C[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371272 JK Annotated Anodyne C[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371274 JK Annotated Anodyne C[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371277 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Br)cc1 ZINC000587371284 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Br)cc1 ZINC000587371287 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nnc(S)s2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587371291 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nnc(S)s2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587371294 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nnc(S)s2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587371296 JK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(Br)cc1 ZINC000587371297 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(Br)cc1 ZINC000587371298 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nnc(S)s2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587371299 JK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587371318 JK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587371322 JK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587371323 JK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587371326 JK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371333 JK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371334 JK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371335 JK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371336 JK Annotated Anodyne Cc1sc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587371354 JK Annotated Anodyne Cc1sc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587371355 JK Annotated Anodyne Cc1sc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587371356 JK Annotated Anodyne Cc1sc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587371357 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371366 JK Annotated Clean Cc1cnc(SC[C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371369 JK Annotated Clean Cc1cnc(SC[C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371371 JK Annotated Clean Cc1cnc(SC[C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371372 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CSc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587371376 JK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3CSc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587371382 JK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CSc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587371385 JK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3CSc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587371387 JK Annotated Clean C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587371388 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587371389 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587371390 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587371391 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(N3CCOCC3)=CSc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587371408 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(N3CCOCC3)=CSc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587371409 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(N3CCOCC3)=CSc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587371410 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(N3CCOCC3)=CSc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587371411 JK Annotated Anodyne N#Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371416 JK Annotated Mild N#Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371417 JK Annotated Mild N#Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371418 JK Annotated Mild N#Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371419 JK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3s2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587371432 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3s2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587371433 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3s2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587371434 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3s2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587371435 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587371449 JK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371450 JK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371451 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587371453 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587371455 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587371458 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Sc3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 ZINC000587371480 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Sc3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 ZINC000587371482 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Sc3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 ZINC000587371484 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Sc3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 ZINC000587371485 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371519 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371522 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371524 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371526 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)O2 ZINC000587371545 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)O2 ZINC000587371546 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)c3ccc(Br)o3)cc1)O2 ZINC000587371549 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)c3ccc(Br)o3)cc1)O2 ZINC000587371550 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(Br)cc(Br)cc13)O2 ZINC000587371629 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(Br)cc(Br)cc13)O2 ZINC000587371632 JK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371634 JK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371637 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)O2 ZINC000587371638 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)O2 ZINC000587371640 JK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371645 JK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371647 JK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371648 JK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371649 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371718 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371721 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371723 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371724 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587371740 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587371741 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@H]1c1ccc(F)cc1 ZINC000587371742 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(N=C=S)cc2)[C@H]1c1ccc(F)cc1 ZINC000587371744 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3sc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587371749 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)O2 ZINC000587371751 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCc3sc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587371752 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3sc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587371753 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3sc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587371755 JK Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371759 JK Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371760 JK Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371761 JK Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371762 JK Annotated Reactive O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587371765 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)O2 ZINC000587371766 JK Annotated Reactive O=C1c2ccc(O)cc2OC2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587371770 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371818 JK Annotated Anodyne C[C@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371820 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371821 JK Annotated Anodyne C[C@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371824 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371833 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371834 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nc3ccccc3s2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587371836 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nc3ccccc3s2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587371838 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nc3ccccc3s2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587371840 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nc3ccccc3s2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587371841 JK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371844 JK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371850 JK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371853 JK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371856 JK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371864 JK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371865 JK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587371883 JK Annotated Reactive CCc1cc(CC)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587371885 JK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587371886 JK Annotated Reactive CCc1cc(CC)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587371888 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587371889 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587371890 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccccc1C)O2 ZINC000587371953 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccccc1C)O2 ZINC000587371954 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587372002 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587372003 JK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372020 JK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372024 JK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372028 JK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372032 JK Annotated Anodyne O=C(O)CC[C@@]1(c2csc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372034 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372035 JK Annotated Anodyne O=C(O)CC[C@]1(c2csc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372036 JK Annotated Anodyne O=C(O)CC[C@]1(c2csc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372037 JK Annotated Anodyne O=C(O)CC[C@@]1(c2csc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372039 JK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372050 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372051 JK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372056 JK Annotated Anodyne Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372058 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372060 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372064 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372068 JK Annotated Mild COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587372070 JK Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587372072 JK Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587372074 JK Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587372077 JK Annotated Reactive CSc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1NC(C)=O ZINC000587372157 JK Annotated Reactive CSc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1NC(C)=O ZINC000587372165 JK Annotated Reactive CSc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1NC(C)=O ZINC000587372167 JK Annotated Reactive CSc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1NC(C)=O ZINC000587372168 JK Annotated Reactive Cn1ccnc1[C@]1(c2cc(S)nc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372192 JK Annotated Anodyne Cn1ccnc1[C@]1(c2cc(S)nc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372195 JK Annotated Anodyne Cn1ccnc1[C@@]1(c2cc(S)nc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372199 JK Annotated Anodyne Cn1ccnc1[C@@]1(c2cc(S)nc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372205 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2cccs2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587372227 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2cccs2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587372231 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2cccs2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587372234 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2cccs2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587372236 JK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc12 ZINC000587372246 JK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc12 ZINC000587372248 JK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc12 ZINC000587372252 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 ZINC000587372255 JK Annotated Reactive Cc1c(C(=O)O)sc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc12 ZINC000587372256 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 ZINC000587372258 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 ZINC000587372260 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 ZINC000587372265 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)O2 ZINC000587372273 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)O2 ZINC000587372275 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Br)cc1)O2 ZINC000587372285 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Br)cc1)O2 ZINC000587372297 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)O2 ZINC000587372331 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)O2 ZINC000587372333 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 ZINC000587372345 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 ZINC000587372346 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)O2 ZINC000587372393 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)O2 ZINC000587372396 JK Annotated Reactive Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587372433 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587372434 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587372435 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587372437 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(OCc3ccccc3)c1)O2 ZINC000587372478 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(OCc3ccccc3)c1)O2 ZINC000587372480 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 ZINC000587372519 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 ZINC000587372522 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 ZINC000587372525 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 ZINC000587372528 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Br)c13)O2 ZINC000587372643 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Br)c13)O2 ZINC000587372646 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372653 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372656 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372659 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372662 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2sccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587372666 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2sccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587372681 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587372684 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587372686 JK Annotated Reactive COc1ccc(-c2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372696 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372703 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372705 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372706 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 ZINC000587372763 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 ZINC000587372768 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 ZINC000587372771 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 ZINC000587372773 JK Annotated Reactive COc1ccc([C@]2(C=C(SC)SC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587372776 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587372784 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587372787 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587372791 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372839 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372846 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372849 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587372851 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(Br)c3cccc1c23 ZINC000587372856 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(Br)c3cccc1c23 ZINC000587372868 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)O2 ZINC000587372878 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)O2 ZINC000587372879 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Br)c3ccccc3n1C(=O)OC(C)(C)C)O2 ZINC000587372884 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372890 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372891 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Br)c3ccccc3n1C(=O)OC(C)(C)C)O2 ZINC000587372892 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000587372922 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000587372925 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c3ccccn13)O2 ZINC000587372950 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c3ccccn13)O2 ZINC000587372954 JK Annotated Bother COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1OC ZINC000587372983 JK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1OC ZINC000587372984 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)O2 ZINC000587372989 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)O2 ZINC000587372990 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)O2 ZINC000587372992 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)O2 ZINC000587372994 JK Annotated Reactive Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373003 JK Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373004 JK Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373005 JK Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373006 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(N)ccc1S2 ZINC000587373016 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(N)ccc1S2 ZINC000587373020 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(N)ccc1S2 ZINC000587373023 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(N)ccc1S2 ZINC000587373026 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CCCCC1)O2 ZINC000587373087 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CCCCC1)O2 ZINC000587373088 JK Annotated Anodyne Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587373101 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587373104 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587373105 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587373106 JK Annotated Reactive COC(=O)c1sc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1C ZINC000587373107 JK Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1C ZINC000587373108 JK Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1C ZINC000587373109 JK Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1C ZINC000587373110 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373123 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373125 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373126 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373129 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587373131 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587373136 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587373137 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587373140 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587373141 JK Annotated Anodyne Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)n1 ZINC000587373142 JK Annotated Reactive Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587373145 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587373148 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587373149 JK Annotated Anodyne Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)n1 ZINC000587373150 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)n1 ZINC000587373151 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)n1 ZINC000587373153 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)O2 ZINC000587373162 JK Annotated Reactive CCOC(=O)Nc1snc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373169 JK Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373176 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cc(Cl)sc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587373177 JK Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373179 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)O2 ZINC000587373180 JK Annotated Reactive CCOC(=O)Nc1snc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373183 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cc(Cl)sc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587373192 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cc(Cl)sc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587373196 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cc(Cl)sc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587373199 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)O2 ZINC000587373213 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)O2 ZINC000587373226 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(Br)cc1 ZINC000587373236 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(Br)cc1 ZINC000587373237 JK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587373259 JK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587373264 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c1)O2 ZINC000587373272 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c1)O2 ZINC000587373273 JK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(Br)c1 ZINC000587373276 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(Br)c1 ZINC000587373277 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNc1ccc(Cl)cc1)(c1ccc(Br)cc1)O2 ZINC000587373281 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNc1ccc(Cl)cc1)(c1ccc(Br)cc1)O2 ZINC000587373284 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cccc(Br)c1)O2 ZINC000587373302 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cccc(Br)c1)O2 ZINC000587373307 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc13)O2 ZINC000587373367 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc13)O2 ZINC000587373369 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)nc3ccc(Br)cc3c1Cl)O2 ZINC000587373370 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)nc3ccc(Br)cc3c1Cl)O2 ZINC000587373371 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000587373411 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCc1ccccc1Cl ZINC000587373513 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCc1ccccc1Cl ZINC000587373516 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)O2 ZINC000587373565 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)O2 ZINC000587373567 JK Annotated Reactive O=C1CSc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 ZINC000587373593 JK Annotated Reactive O=C1CSc2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 ZINC000587373595 JK Annotated Reactive O=C1CSc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2N1 ZINC000587373596 JK Annotated Reactive O=C1CSc2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2N1 ZINC000587373599 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Cl)cc3Cl)nc1-c1ccccc1)O2 ZINC000587373601 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)O2 ZINC000587373602 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)O2 ZINC000587373606 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)O2 ZINC000587373608 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)O2 ZINC000587373610 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Cl)cc3Cl)nc1-c1ccccc1)O2 ZINC000587373614 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587373651 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587373664 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587373665 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587373667 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587373734 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587373735 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587373736 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587373737 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373742 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373743 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373744 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373745 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587373746 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587373747 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587373748 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587373749 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 ZINC000587373759 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 ZINC000587373760 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 ZINC000587373761 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 ZINC000587373762 JK Annotated Reactive Cc1nc(-c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cs2)cs1 ZINC000587373788 JK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cs2)cs1 ZINC000587373790 JK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cs2)cs1 ZINC000587373792 JK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cs2)cs1 ZINC000587373793 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)nc3cc(Cl)ccn13)O2 ZINC000587373838 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)nc3cc(Cl)ccn13)O2 ZINC000587373843 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OCc1ccc(Br)cc1)O2 ZINC000587373851 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OCc1ccc(Br)cc1)O2 ZINC000587373854 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587373866 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587373868 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3COc4ccc(Br)cc4C3)c1)O2 ZINC000587373871 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3COc4ccc(Br)cc4C3)c1)O2 ZINC000587373873 JK Annotated Anodyne CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373891 JK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373897 JK Annotated Reactive CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373900 JK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373903 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587373906 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587373911 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)nc3c(C)cccn13)O2 ZINC000587373924 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1)C1CC1 ZINC000587373928 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)nc3c(C)cccn13)O2 ZINC000587373929 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1)C1CC1 ZINC000587373932 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1)C1CC1 ZINC000587373936 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1)C1CC1 ZINC000587373939 JK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373940 JK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373944 JK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373948 JK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373950 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc13)O2 ZINC000587373983 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc13)O2 ZINC000587373989 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@@H]2O[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587374022 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@@H]2O[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587374027 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@@H]2O[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587374028 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@@H]2O[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587374029 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587374074 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587374076 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587374080 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587374082 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1Cl ZINC000587374101 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1Cl ZINC000587374102 JK Annotated Anodyne C[C@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374124 JK Annotated Anodyne C[C@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374130 JK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374131 JK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374132 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587374185 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587374187 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587374188 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587374189 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2ccc(Cl)cc2Cl)=COc2cc(O)ccc21 ZINC000587374191 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2ccc(Cl)cc2Cl)=COc2cc(O)ccc21 ZINC000587374192 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587374204 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587374206 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc1)O2 ZINC000587374224 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc1)O2 ZINC000587374239 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374314 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374315 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)O2 ZINC000587374322 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)O2 ZINC000587374323 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(Br)cc1)(c1ccc(Br)cc1)O2 ZINC000587374385 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374433 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374444 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374447 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374449 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374471 JK Annotated Bother C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374473 JK Annotated Bother C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374474 JK Annotated Bother C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374477 JK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccsc2)([C@H](O)c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587374545 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccsc2)([C@@H](O)c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587374552 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccsc2)([C@H](O)c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587374557 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccsc2)([C@@H](O)c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587374561 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000587374578 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000587374590 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000587374594 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000587374600 JK Annotated Reactive Cc1nc2ccc(NC(=O)C[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2s1 ZINC000587374651 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2s1 ZINC000587374658 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2s1 ZINC000587374662 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2s1 ZINC000587374666 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)O2 ZINC000587374667 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)O2 ZINC000587374668 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)O2 ZINC000587374670 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)O2 ZINC000587374673 JK Annotated Reactive CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374693 JK Annotated Mild CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374703 JK Annotated Mild CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374707 JK Annotated Mild CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374710 JK Annotated Mild Cc1nc(C(=O)O)c([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587374713 JK Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587374720 JK Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587374723 JK Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587374725 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cs1 ZINC000587374727 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cs1 ZINC000587374729 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cs1 ZINC000587374730 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cs1 ZINC000587374732 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374733 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374742 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587374749 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587374751 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587374753 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587374755 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587374757 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587374760 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587374765 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587374767 JK Annotated Anodyne C[C@]1(c2sccc2-c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374770 JK Annotated Anodyne C[C@@]1(c2sccc2-c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374772 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000587374800 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000587374801 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587374812 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587374814 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374816 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374820 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374822 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374825 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(Br)cc(Br)cc31)O2 ZINC000587374834 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCc1ccccc1Cl ZINC000587374836 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c(Br)cc(Br)cc31)O2 ZINC000587374837 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCc1ccccc1Cl ZINC000587374843 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Cl)cc3Cl)c3ccccc13)O2 ZINC000587374851 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Cl)cc3Cl)c3ccccc13)O2 ZINC000587374856 JK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587374860 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587374861 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3c(Cl)cc(Cl)cc3Cl)o1)O2 ZINC000587374927 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3c(Cl)cc(Cl)cc3Cl)o1)O2 ZINC000587374929 JK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Br)c2)cc1 ZINC000587374968 JK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Br)c2)cc1 ZINC000587374972 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)O2 ZINC000587375006 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)O2 ZINC000587375007 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCC(=O)OC(C)(C)C)O2 ZINC000587375033 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCC(=O)OC(C)(C)C)O2 ZINC000587375039 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375100 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375101 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375103 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375104 JK Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375147 JK Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375151 JK Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375152 JK Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375154 JK Annotated Reactive C[C@@]1(c2sccc2-c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375175 JK Annotated Anodyne C[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375176 JK Annotated Anodyne C[C@]1(c2sccc2-c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375177 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375178 JK Annotated Anodyne C[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375180 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375181 JK Annotated Anodyne Cc1cc(C)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587375192 JK Annotated Reactive Cc1cc(C)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587375194 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OCc3ccc(Cl)cc3Cl)ccc3ccccc13)O2 ZINC000587375229 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OCc3ccc(Cl)cc3Cl)ccc3ccccc13)O2 ZINC000587375233 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587375247 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587375251 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587375253 JK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587375255 JK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375270 JK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375271 JK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375272 JK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375273 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375301 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375303 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375304 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375305 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375310 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375311 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375312 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375313 JK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375322 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375323 JK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375325 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375327 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1c(Cl)cccc1Cl ZINC000587375395 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1c(Cl)cccc1Cl ZINC000587375396 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587375437 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587375438 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587375439 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccsc3CC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587375440 JK Annotated Reactive Cc1ccc([C@]2(c3c(N)sc(C)c3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375550 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375555 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc(C)c3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375556 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc(C)c3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375557 JK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375572 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)O2 ZINC000587375574 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc(C=O)cc1)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587375576 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)O2 ZINC000587375577 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)O2 ZINC000587375578 JK Annotated Reactive Cc1nc(Cc2ccccc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375579 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)O2 ZINC000587375580 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc(C=O)cc1)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587375581 JK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375583 JK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375586 JK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375592 JK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375605 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587375624 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587375626 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587375628 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587375630 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c1)O2 ZINC000587375674 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c1)O2 ZINC000587375675 JK Annotated Bother CC(C)[C@@]1(CCc2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375689 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375691 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375692 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375695 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375698 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587375704 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375709 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587375710 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375712 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375723 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375729 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375731 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375733 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375735 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1cc(Cl)cc(Cl)c1N)(c1ccccc1)O2 ZINC000587375747 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1cc(Cl)cc(Cl)c1N)(c1ccccc1)O2 ZINC000587375756 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587375802 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587375804 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3sccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587375812 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3sccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587375813 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3sccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587375814 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3sccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587375815 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4cccnc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587375816 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4cccnc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587375817 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4cccnc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587375818 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4cccnc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587375819 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)O2 ZINC000587375820 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)O2 ZINC000587375821 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)C(C)(C)Br)O2 ZINC000587375824 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)C(C)(C)Br)O2 ZINC000587375825 JK Annotated Anodyne C[C@@]1(c2ccc(NC3=NCCCS3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375832 JK Annotated Anodyne C[C@]1(c2ccc(NC3=NCCCS3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375833 JK Annotated Anodyne C[C@@]1(c2ccc(NC3=NCCCS3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375834 JK Annotated Anodyne C[C@]1(c2ccc(NC3=NCCCS3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375835 JK Annotated Anodyne Cc1nc2sc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(N)c2c(C)c1C ZINC000587375848 JK Annotated Anodyne Cc1nc2sc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(N)c2c(C)c1C ZINC000587375849 JK Annotated Anodyne Cc1nc2sc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(N)c2c(C)c1C ZINC000587375850 JK Annotated Anodyne Cc1nc2sc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(N)c2c(C)c1C ZINC000587375851 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375873 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375877 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375879 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375882 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Sc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587375891 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Sc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587375894 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Sc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587375897 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Sc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587375898 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OCc1ccccc1Cl ZINC000587375985 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OCc1ccccc1Cl ZINC000587375989 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 ZINC000587375992 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 ZINC000587375998 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3c(Cl)cccc3Cl)c3ccccc13)O2 ZINC000587376096 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3c(Cl)cccc3Cl)c3ccccc13)O2 ZINC000587376099 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587376101 JK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587376109 JK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587376111 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587376112 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587376115 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587376118 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCn1cccc1)O2 ZINC000587376119 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCn1cccc1)O2 ZINC000587376124 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587376153 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1 ZINC000587376156 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(Br)cc3Cl)o1)O2 ZINC000587376158 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587376159 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000587376160 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(Br)cc3Cl)o1)O2 ZINC000587376161 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc3c(c1)CCC3)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587376170 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc3c(c1)CCC3)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587376174 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(Cl)cc1Cl ZINC000587376184 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(Cl)cc1Cl ZINC000587376187 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Br)ccc1O)(c1ccccc1Cl)O2 ZINC000587376217 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Br)ccc1O)(c1ccccc1Cl)O2 ZINC000587376222 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c1)O2 ZINC000587376250 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c1)O2 ZINC000587376252 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376259 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376264 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376267 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376269 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)O2 ZINC000587376275 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)O2 ZINC000587376276 JK Annotated Bother Nc1nc2c(s1)[C@]1(C[C@H](c3ccccc3)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376290 JK Annotated Anodyne Nc1nc2c(s1)[C@]1(C[C@@H](c3ccccc3)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376291 JK Annotated Anodyne Nc1nc2c(s1)[C@]1(C[C@@H](c3ccccc3)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376292 JK Annotated Anodyne Nc1nc2c(s1)[C@]1(C[C@H](c3ccccc3)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376293 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587376312 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587376314 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376328 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376329 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376330 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376331 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587376348 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587376349 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587376350 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587376351 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587376447 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587376448 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587376449 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587376450 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376494 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376499 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376500 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376501 JK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376520 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n3ccccc13)O2 ZINC000587376531 JK Annotated Bother CC(C)c1csc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587376532 JK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587376533 JK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376534 JK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587376538 JK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587376540 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n3ccccc13)O2 ZINC000587376542 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587376578 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587376580 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Br)cc1Br)O2 ZINC000587376590 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Br)cc1Br)O2 ZINC000587376593 JK Annotated Anodyne O=C(O)c1sccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376621 JK Annotated Anodyne O=C(O)c1sccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376629 JK Annotated Anodyne O=C(O)c1sccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376634 JK Annotated Anodyne O=C(O)c1sccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376637 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)S1 ZINC000587376655 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)S1 ZINC000587376658 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)S1 ZINC000587376663 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)S1 ZINC000587376666 JK Annotated Anodyne CCCc1sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587376675 JK Annotated Anodyne CCCc1sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587376676 JK Annotated Anodyne CCCc1sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587376679 JK Annotated Anodyne CCCc1sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587376681 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587376702 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587376703 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587376704 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587376706 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376710 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376714 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376717 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376718 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCOC2 ZINC000587376732 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCOC2 ZINC000587376737 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCOC2 ZINC000587376742 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCOC2 ZINC000587376747 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nn(Cc3c(Cl)cccc3Cl)cc1-c1ccccc1)O2 ZINC000587376775 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)O2 ZINC000587376778 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nn(Cc3c(Cl)cccc3Cl)cc1-c1ccccc1)O2 ZINC000587376780 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)O2 ZINC000587376783 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccsc2)(c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587376811 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)O2 ZINC000587376814 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccsc2)(c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587376815 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)O2 ZINC000587376818 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)c2ccsc2)(c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587376819 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587376822 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccsc2)(c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587376823 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587376826 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCSc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587376827 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587376829 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCSc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587376830 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587376831 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587376833 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCSc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587376834 JK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587376837 JK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587376841 JK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587376842 JK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587376846 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(CC#N)s3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376859 JK Annotated Mild COc1ccc([C@]2(c3ccc(CC#N)s3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376861 JK Annotated Mild COc1ccc([C@@]2(c3ccc(CC#N)s3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376864 JK Annotated Mild COc1ccc([C@]2(c3ccc(CC#N)s3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376869 JK Annotated Mild Nc1sc2c(c1[C@@]1(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587376875 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587376877 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587376879 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587376884 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376892 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376895 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 ZINC000587376939 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 ZINC000587376940 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 ZINC000587376942 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 ZINC000587376944 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(NC(=O)OCc3ccccc3)cc1)O2 ZINC000587376945 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(NC(=O)OCc3ccccc3)cc1)O2 ZINC000587376946 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3Cl)c3cc(Cl)ccc3n1)O2 ZINC000587376981 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3Cl)c3cc(Cl)ccc3n1)O2 ZINC000587376983 JK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377000 JK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377005 JK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377007 JK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377009 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587377011 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587377013 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587377015 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587377017 JK Annotated Reactive Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587377023 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587377028 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587377030 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587377033 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccccc1Cl ZINC000587377064 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccccc1Cl ZINC000587377069 JK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587377078 JK Annotated Mild N#CCc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587377080 JK Annotated Mild N#CCc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587377081 JK Annotated Mild N#CCc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587377082 JK Annotated Mild C[C@@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377084 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377092 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377095 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377098 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1NC(=O)OC(C)(C)C)O2 ZINC000587377129 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1NC(=O)OC(C)(C)C)O2 ZINC000587377133 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1ccccc1 ZINC000587377143 JK Annotated Anodyne CSc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377145 JK Annotated Reactive COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1ccccc1 ZINC000587377146 JK Annotated Anodyne CSc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377151 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1)O2 ZINC000587377152 JK Annotated Anodyne CSc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377153 JK Annotated Reactive CSc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377154 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCO[C@H]1CCCCO1)O2 ZINC000587377155 JK Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377156 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCO[C@H]1CCCCO1)O2 ZINC000587377157 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1)O2 ZINC000587377158 JK Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377159 JK Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377162 JK Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377164 JK Annotated Anodyne N#CSC[C@@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377166 JK Annotated Reactive N#CSC[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377168 JK Annotated Reactive N#CSC[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377169 JK Annotated Reactive N#CSC[C@@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377170 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnc(N3CCCCC3)s2)[C@@H]1c1ccc(F)cc1 ZINC000587377171 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnc(N3CCCCC3)s2)[C@H]1c1ccc(F)cc1 ZINC000587377175 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cnc(N3CCCCC3)s2)[C@H]1c1ccc(F)cc1 ZINC000587377178 JK Annotated Reactive COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1ccccn1 ZINC000587377180 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2cnc(N3CCCCC3)s2)[C@@H]1c1ccc(F)cc1 ZINC000587377181 JK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@H](O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587377183 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@@H](O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587377186 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1ccccn1 ZINC000587377188 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@H](O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587377189 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccs2)([C@@H](O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587377192 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587377255 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587377260 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(c1ccc3c(c1)OCCO3)O2 ZINC000587377266 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(c1ccc3c(c1)OCCO3)O2 ZINC000587377270 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(Cl)cccc1Cl ZINC000587377277 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(Cl)cccc1Cl ZINC000587377279 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377292 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377295 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc(Cl)cc(Br)c1O)O2 ZINC000587377297 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377298 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377301 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cc(Cl)cc(Br)c1O)O2 ZINC000587377305 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc(Br)c3)c3ccccc13)O2 ZINC000587377313 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc(Br)c3)c3ccccc13)O2 ZINC000587377319 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OCc1ccccc1 ZINC000587377337 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OCc1ccccc1 ZINC000587377338 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 ZINC000587377440 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 ZINC000587377441 JK Annotated Bother Cc1cc(C)cc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2Br)c1 ZINC000587377476 JK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2Br)c1 ZINC000587377480 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3C#N)c(Br)c1)O2 ZINC000587377487 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3C#N)c(Br)c1)O2 ZINC000587377494 JK Annotated Mild COc1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1 ZINC000587377509 JK Annotated Anodyne COc1cc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1 ZINC000587377511 JK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377513 JK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377515 JK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377517 JK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377518 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587377539 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587377543 JK Annotated Anodyne CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377562 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377565 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377568 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377570 JK Annotated Mild COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Cl)cccc1Cl ZINC000587377582 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Cl)cccc1Cl ZINC000587377584 JK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377593 JK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377596 JK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377599 JK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377601 JK Annotated Anodyne CSc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377615 JK Annotated Reactive CSc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377618 JK Annotated Reactive CSc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377620 JK Annotated Reactive CSc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377623 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1oc3ccccc3c1CBr)O2 ZINC000587377654 JK Annotated Reactive CN(C)C(=O)Sc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377658 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1oc3ccccc3c1CBr)O2 ZINC000587377659 JK Annotated Reactive CN(C)C(=O)Sc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377662 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377664 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377667 JK Annotated Anodyne O=C(CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000587377668 JK Annotated Anodyne O=C(CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cccs1 ZINC000587377672 JK Annotated Anodyne O=C(CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000587377676 JK Annotated Anodyne O=C(CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cccs1 ZINC000587377678 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377695 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377698 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377699 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377702 JK Annotated Anodyne CSc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587377713 JK Annotated Reactive CSc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587377716 JK Annotated Reactive CSc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587377718 JK Annotated Reactive CSc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587377720 JK Annotated Reactive COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587377756 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587377757 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Cl)cc1Cl ZINC000587377764 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Cl)cc1Cl ZINC000587377765 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587377796 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587377799 JK Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OCc1ccccc1Cl ZINC000587377804 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OCc1ccccc1Cl ZINC000587377806 JK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587377838 JK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587377839 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587377851 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587377859 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587377861 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587377871 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587377873 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587377875 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1OCc1ccccc1)O2 ZINC000587377893 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1OCc1ccccc1)O2 ZINC000587377895 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Br)ccc1N)(c1ccccc1Cl)O2 ZINC000587377897 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Br)ccc1N)(c1ccccc1Cl)O2 ZINC000587377900 JK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378015 JK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378018 JK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378025 JK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378028 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1cccc(Cl)c1 ZINC000587378055 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587378082 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587378083 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587378084 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587378085 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)s2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587378086 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)s2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587378087 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)s2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587378088 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)s2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587378089 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378106 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378107 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378108 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378109 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378112 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378113 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378114 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378115 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1cccc(Cl)c1 ZINC000587378148 JK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378168 JK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378170 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1ccccc1 ZINC000587378200 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1ccccc1 ZINC000587378202 JK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378203 JK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378212 JK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)c(C)c2O1 ZINC000587378237 JK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)c(C)c2O1 ZINC000587378239 JK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378251 JK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378253 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OCc1ccccc1 ZINC000587378282 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OCc1ccccc1 ZINC000587378284 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587378331 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587378332 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587378346 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587378351 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587378353 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587378356 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378468 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378469 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378470 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378471 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587378494 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587378495 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587378496 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587378497 JK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378525 JK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378526 JK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378592 JK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378595 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(Br)c1 ZINC000587378614 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(Br)c1 ZINC000587378616 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378679 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378680 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378684 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378686 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378743 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378746 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378748 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378749 JK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378751 JK Annotated Mild N#CCc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378756 JK Annotated Mild N#CCc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378759 JK Annotated Mild N#CCc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378762 JK Annotated Mild CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587378764 JK Annotated Anodyne N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378765 JK Annotated Reactive N#Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378768 JK Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378770 JK Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378772 JK Annotated Reactive CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587378793 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587378820 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587378822 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587378824 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587378826 JK Annotated Anodyne Nc1ncc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378831 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(Cl)c1Cl ZINC000587378837 JK Annotated Anodyne Nc1ncc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378838 JK Annotated Anodyne Nc1ncc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378840 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(Cl)c1Cl ZINC000587378841 JK Annotated Anodyne Nc1ncc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378843 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)c1 ZINC000587378907 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)c1 ZINC000587378908 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)c1 ZINC000587378910 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)c1 ZINC000587378912 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1cccc(Cl)c1)O2 ZINC000587378953 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1cccc(Cl)c1)O2 ZINC000587378954 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccncc3)nc1-c1ccccc1Br)O2 ZINC000587378973 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccncc3)nc1-c1ccccc1Br)O2 ZINC000587378974 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1Br)(c1ccccc1Br)O2 ZINC000587378995 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1Br ZINC000587379024 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1Br ZINC000587379026 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587379044 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587379055 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587379056 JK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587379058 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)cc(Br)c1O)O2 ZINC000587379119 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)cc(Br)c1O)O2 ZINC000587379121 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(-c3ccccc3)c1)(c1cc(Br)ccc1O)O2 ZINC000587379123 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)O2 ZINC000587379146 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(-c3ccccc3)c1)(c1cc(Br)ccc1O)O2 ZINC000587379148 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)O2 ZINC000587379152 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)O2 ZINC000587379153 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)O2 ZINC000587379157 JK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379236 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc31)O2 ZINC000587379237 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc31)O2 ZINC000587379238 JK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379240 JK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379241 JK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379244 JK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379281 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379283 JK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379285 JK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379287 JK Annotated Anodyne O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379293 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC1)O2 ZINC000587379295 JK Annotated Anodyne O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379296 JK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379297 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](C1=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC1)O2 ZINC000587379298 JK Annotated Anodyne O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379299 JK Annotated Reactive C[C@@]1(c2ccc(Sc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379301 JK Annotated Anodyne C[C@]1(c2ccc(Sc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379304 JK Annotated Anodyne C[C@@]1(c2ccc(Sc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379308 JK Annotated Anodyne C[C@]1(c2ccc(Sc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379310 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379325 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379329 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379331 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379332 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(-c3ccc(Cl)cc3)o1)O2 ZINC000587379338 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(-c3ccc(Cl)cc3)o1)O2 ZINC000587379341 JK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587379456 JK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587379460 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)SC ZINC000587379461 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)SC ZINC000587379464 JK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379468 JK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379471 JK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379474 JK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379477 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587379490 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587379496 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587379498 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587379501 JK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587379540 JK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587379543 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 ZINC000587379596 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 ZINC000587379597 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 ZINC000587379598 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1cccs1 ZINC000587379599 JK Annotated Reactive Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379636 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379637 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379639 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379641 JK Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587379691 JK Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587379693 JK Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587379695 JK Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587379697 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379785 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379787 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379789 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379791 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379802 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379805 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379808 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379810 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccccc1Cl ZINC000587379855 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccccc1Cl ZINC000587379857 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)O2 ZINC000587379928 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)O2 ZINC000587379929 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)O2 ZINC000587379930 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)O2 ZINC000587379931 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587379940 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587379941 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587379942 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587379943 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(Cl)ccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21 ZINC000587380026 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 ZINC000587380302 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 ZINC000587380303 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000587380306 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000587380307 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)O2 ZINC000587380341 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)O2 ZINC000587380342 JK Annotated Mild CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587380347 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587380348 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380359 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380362 JK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587380420 JK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587380421 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Cl)ccc(Br)c1F)O2 ZINC000587380651 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Cl)ccc(Br)c1F)O2 ZINC000587380653 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1)O2 ZINC000587380814 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1)O2 ZINC000587380815 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587380826 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587380827 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C)O2 ZINC000587380828 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C)O2 ZINC000587380829 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)O2 ZINC000587380836 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)O2 ZINC000587380838 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(C(F)(F)F)cc2N[C@@H]1c1cccs1 ZINC000587380839 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(C(F)(F)F)cc2N[C@@H]1c1cccs1 ZINC000587380840 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(C(F)(F)F)cc2N[C@H]1c1cccs1 ZINC000587380841 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(C(F)(F)F)cc2N[C@H]1c1cccs1 ZINC000587380842 JK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(OCC(=O)O)cc2O1 ZINC000587380890 JK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(OCC(=O)O)cc2O1 ZINC000587380895 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)O2 ZINC000587381090 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)O2 ZINC000587381091 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 ZINC000587381100 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 ZINC000587381101 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)O2 ZINC000587381107 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)O2 ZINC000587381108 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587381119 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587381120 JK Annotated Reactive CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(F)cccc1Cl ZINC000587381353 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(F)cccc1Cl ZINC000587381354 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587381418 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 ZINC000587381482 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 ZINC000587381483 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 ZINC000587381494 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 ZINC000587381495 JK Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587381523 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587381526 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(F)F)cc1)(c1c(N)sc3c1CCC3)O2 ZINC000587381538 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(F)F)cc1)(c1c(N)sc3c1CCC3)O2 ZINC000587381542 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccnc3ccccc13)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587381720 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccnc3ccccc13)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587381721 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc(C(F)(F)F)c3)c3ccccc13)O2 ZINC000587381765 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc(C(F)(F)F)c3)c3ccccc13)O2 ZINC000587381766 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c1)O2 ZINC000587381797 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c1)O2 ZINC000587381798 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1SCc1ccccc1Cl)O2 ZINC000587381813 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1SCc1ccccc1Cl)O2 ZINC000587381814 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587381860 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587381865 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587381883 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587381886 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587381890 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587381892 JK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587381938 JK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587381939 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)O2 ZINC000587381997 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)O2 ZINC000587381999 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)O2 ZINC000587382005 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)O2 ZINC000587382006 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)O2 ZINC000587382007 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)O2 ZINC000587382008 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587382024 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587382025 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)O2 ZINC000587382043 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)O2 ZINC000587382046 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)O2 ZINC000587382048 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)O2 ZINC000587382051 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)O2 ZINC000587382103 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)O2 ZINC000587382104 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCC(F)(F)F)O2 ZINC000587382105 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCC(F)(F)F)O2 ZINC000587382106 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)O2 ZINC000587382187 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)O2 ZINC000587382188 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(F)F)cc1)(c1cncc(Br)c1C)O2 ZINC000587382211 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(F)F)cc1)(c1cncc(Br)c1C)O2 ZINC000587382212 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cn(CCCCCF)c3ccccc13)(C1C(C)(C)C1(C)C)O2 ZINC000587382257 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cn(CCCCCF)c3ccccc13)(C1C(C)(C)C1(C)C)O2 ZINC000587382258 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C(F)(F)F)c1 ZINC000587382267 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C(F)(F)F)c1 ZINC000587382268 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1)O2 ZINC000587382283 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1)O2 ZINC000587382284 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000587382325 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000587382326 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1c(F)cccc1Cl)(c1ccccc1Br)O2 ZINC000587382375 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1c(F)cccc1Cl)(c1ccccc1Br)O2 ZINC000587382378 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)ccc(Br)c1Cl)O2 ZINC000587382414 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(F)ccc(Br)c1Cl)O2 ZINC000587382416 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)O2 ZINC000587382422 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)O2 ZINC000587382423 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccccc1C(=O)O)(c1ccc(OC(F)F)cc1)O2 ZINC000587382516 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccccc1C(=O)O)(c1ccc(OC(F)F)cc1)O2 ZINC000587382517 JK Annotated Anodyne CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382613 JK Annotated Reactive CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382615 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc13)O2 ZINC000587382646 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc13)O2 ZINC000587382650 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3o1)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587382688 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3o1)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587382700 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc13)O2 ZINC000587382742 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc13)O2 ZINC000587382745 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Sc3cccc(C(F)(F)F)c3)nc3sccn13)O2 ZINC000587382747 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Sc3cccc(C(F)(F)F)c3)nc3sccn13)O2 ZINC000587382748 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587382757 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587382758 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccccc1OC(F)F)(c1ccccc1)O2 ZINC000587382790 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccccc1OC(F)F)(c1ccccc1)O2 ZINC000587382791 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1)O2 ZINC000587382792 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1)O2 ZINC000587382793 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 ZINC000587382808 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 ZINC000587382810 JK Annotated Bother CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382813 JK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382814 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587382832 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587382835 JK Annotated Anodyne COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382840 JK Annotated Anodyne COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382841 JK Annotated Anodyne COC(=O)N[C@@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382842 JK Annotated Anodyne COC(=O)N[C@@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382843 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(F)c(F)cc(F)c1F ZINC000587382864 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(F)c(F)cc(F)c1F ZINC000587382866 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)O2 ZINC000587382911 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)O2 ZINC000587382912 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc1)O2 ZINC000587382968 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc1)O2 ZINC000587382974 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)O2 ZINC000587383032 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)O2 ZINC000587383039 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)O2 ZINC000587383059 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)O2 ZINC000587383066 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Br)ccc(Cl)c1F)O2 ZINC000587383100 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Br)ccc(Cl)c1F)O2 ZINC000587383101 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccc(F)cc2)=C(C(F)(F)F)Oc2cc(O)ccc21 ZINC000587383162 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccc(F)cc2)=C(C(F)(F)F)Oc2cc(O)ccc21 ZINC000587383168 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1Cl)O2 ZINC000587383239 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1Cl)O2 ZINC000587383242 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1C(F)(F)F)O2 ZINC000587383324 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1C(F)(F)F)O2 ZINC000587383327 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1C(F)(F)F)O2 ZINC000587383344 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1C(F)(F)F)O2 ZINC000587383347 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc3ccccc3n1)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587383350 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc3ccccc3n1)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587383353 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)O2 ZINC000587383359 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)O2 ZINC000587383363 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587383451 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587383453 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccc(C(=O)c3ccc(F)cc3)c1)O2 ZINC000587383460 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccc(C(=O)c3ccc(F)cc3)c1)O2 ZINC000587383462 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc(C(F)(F)F)c1 ZINC000587383468 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc(C(F)(F)F)c1 ZINC000587383469 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc13)O2 ZINC000587383499 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc13)O2 ZINC000587383503 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3o1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587383504 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3o1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587383506 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc13)O2 ZINC000587383519 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc13)O2 ZINC000587383520 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1C(F)(F)F)(C(C)(C)C)O2 ZINC000587383533 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1C(F)(F)F)(C(C)(C)C)O2 ZINC000587383540 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1)(c1c(N)sc3c1CCC3)O2 ZINC000587383541 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1)(c1c(N)sc3c1CCC3)O2 ZINC000587383542 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)O2 ZINC000587383545 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)O2 ZINC000587383546 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587383564 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587383569 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc1)O2 ZINC000587383588 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc1)O2 ZINC000587383589 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 ZINC000587383644 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 ZINC000587383645 JK Annotated Reactive COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1cccc(F)c1 ZINC000587383674 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCc1cccc(F)c1 ZINC000587383677 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587383719 JK Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587383720 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1)O2 ZINC000587383743 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1)O2 ZINC000587383744 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(C(F)(F)F)cc1)O2 ZINC000587383806 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(C(F)(F)F)cc1)O2 ZINC000587383807 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(C(F)(F)F)cc1)O2 ZINC000587383808 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(C(F)(F)F)cc1)O2 ZINC000587383809 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587383855 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587383856 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587383859 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)O2 ZINC000587383863 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587383864 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)O2 ZINC000587383869 JK Annotated Reactive CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383870 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383871 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)O2 ZINC000587383885 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)O2 ZINC000587383887 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc31)O2 ZINC000587383943 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc31)O2 ZINC000587383949 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587384300 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587384301 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c1)O2 ZINC000587384481 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c1)O2 ZINC000587384482 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(F)cc3)c3nc(O)ccc13)O2 ZINC000587384543 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(F)cc3)c3nc(O)ccc13)O2 ZINC000587384544 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)O2 ZINC000587384667 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)O2 ZINC000587384668 JK Annotated Reactive CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587384669 JK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587384670 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc([C@H](C#N)c3ccc(F)cc3)cc1)O2 ZINC000587384763 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc([C@@H](C#N)c3ccc(F)cc3)cc1)O2 ZINC000587384764 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc([C@@H](C#N)c3ccc(F)cc3)cc1)O2 ZINC000587384765 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc([C@H](C#N)c3ccc(F)cc3)cc1)O2 ZINC000587384766 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)O2 ZINC000587384771 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)O2 ZINC000587384772 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)O2 ZINC000587384946 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)O2 ZINC000587384947 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)O2 ZINC000587384948 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)O2 ZINC000587384949 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)O2 ZINC000587384983 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)O2 ZINC000587384985 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)O2 ZINC000587384986 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)O2 ZINC000587384987 JK Annotated Anodyne CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385078 JK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385085 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)O2 ZINC000587385154 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)O2 ZINC000587385155 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(F)cc(F)c1)(c1cccnc1NC(=O)C(C)(C)C)O2 ZINC000587385358 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(F)cc(F)c1)(c1cccnc1NC(=O)C(C)(C)C)O2 ZINC000587385387 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(F)cc3Br)cc1)O2 ZINC000587385472 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(F)cc3Br)cc1)O2 ZINC000587385474 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc13)O2 ZINC000587385494 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc13)O2 ZINC000587385496 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(I)cc3)o1)O2 ZINC000587385790 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(I)cc3)o1)O2 ZINC000587385801 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587385890 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587385893 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccc(F)cc1 ZINC000587385968 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccc(F)cc1 ZINC000587385976 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1Cl)O2 ZINC000587386136 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1Cl)O2 ZINC000587386140 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)O2 ZINC000587386302 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)O2 ZINC000587386304 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(I)cc1)O2 ZINC000587386313 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(I)cc1)O2 ZINC000587386320 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(I)c(C)c3)c1C)O2 ZINC000587386347 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(I)c(C)c3)c1C)O2 ZINC000587386350 JK Annotated Clean CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587386404 JK Annotated Clean COc1ccc([C@]2(Cc3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587386433 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587386434 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(I)cc3)nc3ccccn13)O2 ZINC000587386607 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(I)cc3)nc3ccccn13)O2 ZINC000587386611 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587386688 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587386690 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1I)O2 ZINC000587386973 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1I)O2 ZINC000587386974 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587386981 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587386984 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(NC(C)C)ccc(NC(C)C)c21 ZINC000587387088 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(NC(C)C)ccc(NC(C)C)c21 ZINC000587387089 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc1)O2 ZINC000587387108 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc1)O2 ZINC000587387109 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N(c3ccccc3)C(C)C)cc1)O2 ZINC000587387383 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N(c3ccccc3)C(C)C)cc1)O2 ZINC000587387385 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3c3ccccc13)(c1ccc(N(C)C)cc1)O2 ZINC000587387420 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3c3ccccc13)(c1ccc(N(C)C)cc1)O2 ZINC000587387422 JK Annotated Bother CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3C1=N2 ZINC000587387441 JK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3C1=N2 ZINC000587387444 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(I)cc3)c1C)O2 ZINC000587387519 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(I)cc3)c1C)O2 ZINC000587387520 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3cccc(I)c13)O2 ZINC000587387582 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3cccc(I)c13)O2 ZINC000587387583 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(I)cc(Cl)cc13)O2 ZINC000587387631 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(I)cc(Cl)cc13)O2 ZINC000587387633 JK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3C1=N2 ZINC000587387893 JK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3C1=N2 ZINC000587387894 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587388170 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587388171 JK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388234 JK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388235 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CC(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388369 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CC(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388373 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388709 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388710 JK Annotated Anodyne Cc1ccc([C@@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388798 JK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388802 JK Annotated Anodyne Cc1ccc([C@@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388804 JK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388807 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)O2 ZINC000587388978 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)O2 ZINC000587388981 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc13)O2 ZINC000587389421 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc13)O2 ZINC000587389422 JK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587389566 JK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587389578 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3ccccc3)cc1)O2 ZINC000587389597 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3ccccc3)cc1)O2 ZINC000587389602 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)O2 ZINC000587389692 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)O2 ZINC000587389693 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c1)O2 ZINC000587390079 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c1)O2 ZINC000587390080 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc1)O2 ZINC000587390091 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc1)O2 ZINC000587390092 JK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587390175 JK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587390176 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587390261 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587390269 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC1)O2 ZINC000587390608 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 ZINC000587390621 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 ZINC000587390622 JK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587390730 JK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587390732 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3cccc4ccccc34)c1N1CCCC1)O2 ZINC000587390848 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3cccc4ccccc34)c1N1CCCC1)O2 ZINC000587390854 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)O2 ZINC000587390909 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)O2 ZINC000587390914 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCCCO3)O2 ZINC000587391225 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCCCO3)O2 ZINC000587391227 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc13)O2 ZINC000587391280 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc13)O2 ZINC000587391282 JK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391339 JK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391340 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3oc1=O)O2 ZINC000587391444 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3oc1=O)O2 ZINC000587391450 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587391454 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587391458 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c13)O2 ZINC000587391628 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c13)O2 ZINC000587391630 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)c1cc(C=O)ccc1n3Cc1ccccc1)O2 ZINC000587391641 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)c1cc(C=O)ccc1n3Cc1ccccc1)O2 ZINC000587391644 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587391820 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587391821 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn1)O2 ZINC000587391964 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn1)O2 ZINC000587391965 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@@H](C)n1c(C#N)nc3ccccc31)O2 ZINC000587392053 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@@H](C)n1c(C#N)nc3ccccc31)O2 ZINC000587392056 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@H](C)n1c(C#N)nc3ccccc31)O2 ZINC000587392059 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@H](C)n1c(C#N)nc3ccccc31)O2 ZINC000587392062 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)O2 ZINC000587392430 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)O2 ZINC000587392431 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)O2 ZINC000587392432 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)O2 ZINC000587392433 JK Annotated Reactive CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587392568 JK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587392569 JK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587392570 JK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587392572 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OCC(C)C)cc1)O2 ZINC000587392657 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OCC(C)C)cc1)O2 ZINC000587392658 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCC[C@H](C[C@H](O)c3ccccc3)N1C)O2 ZINC000587392868 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCC[C@@H](C[C@H](O)c3ccccc3)N1C)O2 ZINC000587392875 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCC[C@H](C[C@@H](O)c3ccccc3)N1C)O2 ZINC000587392877 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCC[C@@H](C[C@@H](O)c3ccccc3)N1C)O2 ZINC000587392880 JK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587392963 JK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587392964 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)O2 ZINC000587393355 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)O2 ZINC000587393356 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C\c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587393876 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C\c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587393877 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C/c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587393878 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C/c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587393879 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587394782 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587394783 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587394784 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587394786 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccccc1)O2 ZINC000587394825 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccccc1)O2 ZINC000587394827 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587395226 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587395227 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587395228 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587395229 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395281 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395283 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3nc(-c4cccc(C#N)c4)[nH]c3c1)O2 ZINC000587395396 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3nc(-c4cccc(C#N)c4)[nH]c3c1)O2 ZINC000587395398 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3c(C)ccc(C)c13)O2 ZINC000587395647 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3c(C)ccc(C)c13)O2 ZINC000587395648 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587395870 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587395875 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587395877 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587395881 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587396692 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587396694 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587396696 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587396698 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587396709 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587396711 JK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397257 JK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397258 JK Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397259 JK Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397260 JK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397598 JK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397599 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)O2 ZINC000587397903 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)c2cc3c(=O)c4ccccc4n(C)c3cc21 ZINC000587397904 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)c2cc3c(=O)c4ccccc4n(C)c3cc21 ZINC000587397905 JK Annotated Bother COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397921 JK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397922 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587398121 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587398122 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)O2 ZINC000587398144 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398531 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398532 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398533 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398534 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587398558 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587398561 JK Annotated Anodyne COc1ccc([C@@]2([C@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587399108 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587399115 JK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587399117 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587399118 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587399119 JK Annotated Anodyne COc1ccc([C@@]2([C@@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587399121 JK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399208 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399209 JK Annotated Mild CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399317 JK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399321 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587399430 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587399437 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587399451 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587399456 JK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCCC ZINC000587399531 JK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCCC ZINC000587399538 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587399578 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587399580 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(Cc4ccccc4)CC3)Oc3ccccc31)O2 ZINC000587399603 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(Cc4ccccc4)CC3)Oc3ccccc31)O2 ZINC000587399604 JK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399868 JK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399871 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)O2 ZINC000587399974 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)O2 ZINC000587399975 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccc(OCc3ccccc3)cc1)O2 ZINC000587400284 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccc(OCc3ccccc3)cc1)O2 ZINC000587400286 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587400294 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587400297 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23 ZINC000587400528 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23 ZINC000587400530 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc2ccccc12 ZINC000587400622 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc2ccccc12 ZINC000587400626 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3)cc1OCc1ccccc1)O2 ZINC000587400639 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3)cc1OCc1ccccc1)O2 ZINC000587400641 JK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1O ZINC000587400716 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)O2 ZINC000587400985 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587400988 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)O2 ZINC000587400989 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587400991 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)ccc1OCc1ccccc1)O2 ZINC000587401080 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)ccc1OCc1ccccc1)O2 ZINC000587401084 JK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587401230 JK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587401231 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587401456 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587401460 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587401461 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587401463 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(-c3ccccc3)nc3ccccc13)([C@H]1CCCNC1=O)O2 ZINC000587401501 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(-c3ccccc3)nc3ccccc13)([C@@H]1CCCNC1=O)O2 ZINC000587401502 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(-c3ccccc3)nc3ccccc13)([C@H]1CCCNC1=O)O2 ZINC000587401505 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(-c3ccccc3)nc3ccccc13)([C@@H]1CCCNC1=O)O2 ZINC000587401506 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401570 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401572 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401574 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401576 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000587401676 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000587401677 JK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OCC)cc1 ZINC000587401804 JK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OCC)cc1 ZINC000587401808 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587401946 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587401948 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402006 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402007 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587402153 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587402154 JK Annotated Anodyne CCCCCCCCCCCC1(CCCCCCCCCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402240 JK Annotated Mild CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402575 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402578 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402579 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402581 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@]3(C)O)C1)O2 ZINC000587402620 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@]3(C)O)C1)O2 ZINC000587402621 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402680 JK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402686 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(CC(=O)c6cc(C)cc(N)c6O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587402941 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(CC(=O)c6cc(C)cc(N)c6O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587402950 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)O2 ZINC000587402972 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)O2 ZINC000587402980 JK Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[C@H]2CCC(=O)C=C12 ZINC000587403543 JK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[C@H]2CCC(=O)C=C12 ZINC000587403546 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)O2 ZINC000587403610 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)O2 ZINC000587403612 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc1)O2 ZINC000587403738 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc1)O2 ZINC000587403740 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CCc3ccccc3)cc1)(c1cccc3ccccc13)O2 ZINC000587403905 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CCc3ccccc3)cc1)(c1cccc3ccccc13)O2 ZINC000587403906 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccc(C(=O)C(=O)c3ccccc3)cc1)(c1ccccc1)O2 ZINC000587403911 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccc(C(=O)C(=O)c3ccccc3)cc1)(c1ccccc1)O2 ZINC000587403912 JK Annotated Clean CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587403947 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587403948 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587403949 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587403950 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404041 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404045 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404046 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404047 JK Annotated Mild COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587404157 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587404158 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404398 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404399 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404400 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404401 JK Annotated Mild COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587404555 JK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587404565 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587404582 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587404593 JK Annotated Anodyne CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(CC(=O)c6cc(C)cc(N)c6O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587404594 JK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(CC(=O)c6cc(C)cc(N)c6O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587404598 JK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404722 JK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404724 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404727 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404731 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404735 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404738 JK Annotated Anodyne CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404779 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404780 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404781 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404783 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404810 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404811 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404812 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587404813 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587405002 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587405009 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587405012 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587405015 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587405196 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587405202 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587405284 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587405299 JK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@]12C ZINC000587405359 JK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@]12C ZINC000587405362 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)O2 ZINC000587405855 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)O2 ZINC000587405856 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)([C@H](O)c1ccc(C(C)(C)C)cc1)O2 ZINC000587405927 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)([C@@H](O)c1ccc(C(C)(C)C)cc1)O2 ZINC000587405934 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)([C@H](O)c1ccc(C(C)(C)C)cc1)O2 ZINC000587405936 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](O)c1ccc(C(C)(C)C)cc1)O2 ZINC000587405938 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H]1CC[C@H]3[C@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@]31C)O2 ZINC000587405991 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H]1CC[C@H]3[C@@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@@]13C)O2 ZINC000587405992 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H]1CC[C@H]3[C@@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@@]13C)O2 ZINC000587405993 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H]1CC[C@H]3[C@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@]31C)O2 ZINC000587405994 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccccc1)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)O2 ZINC000587406158 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccccc1)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)O2 ZINC000587406159 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]31C)O2 ZINC000587406271 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]31C)O2 ZINC000587406274 JK Annotated Anodyne Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587406645 JK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587406649 JK Annotated Reactive COc1cc2c(cc1OC)[C@@H](C1=COc3ccccc3[C@]13CC(=O)c1cc(C)cc(N)c1O3)OCC2 ZINC000587407256 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13CC(=O)c1cc(C)cc(N)c1O3)OCC2 ZINC000587407257 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13CC(=O)c1cc(C)cc(N)c1O3)OCC2 ZINC000587407258 JK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C1=COc3ccccc3[C@@]13CC(=O)c1cc(C)cc(N)c1O3)OCC2 ZINC000587407259 JK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccc(O)cc1)O2 ZINC000587407374 JK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccc(O)cc1)O2 ZINC000587407375 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587407410 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587407418 JK Annotated Mild COc1cccc(SC[C@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587407439 JK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587407442 JK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407649 JK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407654 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccc(-c3ccccc3)cc2)=COc2cc(O)ccc21 ZINC000587407785 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccc(-c3ccccc3)cc2)=COc2cc(O)ccc21 ZINC000587407788 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)O2 ZINC000587407883 JK Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)O2 ZINC000587407886 JK Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(CSc4ncccn4)cc(Cl)cc3c1=O)O2 ZINC000587408043 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(CSc4ncccn4)cc(Cl)cc3c1=O)O2 ZINC000587408044 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)O2 ZINC000587408158 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)O2 ZINC000587408160 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)O2 ZINC000587408163 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)O2 ZINC000587408165 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]1(C)C4)O2 ZINC000587408178 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]1(C)C4)O2 ZINC000587408179 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587408272 JK Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587408273 JK Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Sc3ccc(Br)cc3)n(C)c3ccccc13)O2 ZINC000587408345 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Sc3ccc(Br)cc3)n(C)c3ccccc13)O2 ZINC000587408346 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408418 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408421 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)O2 ZINC000587408429 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)O2 ZINC000587408435 JK Annotated Bother COC(=O)c1ccccc1Sc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(-c2ccccc2)nn1C ZINC000587408454 JK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(-c2ccccc2)nn1C ZINC000587408457 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccccn1)(c1ccc(Br)cc1)O2 ZINC000587408648 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccccn1)(c1ccc(Br)cc1)O2 ZINC000587408654 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nnnn1-c1ccccc1)(c1cccc3ccccc13)O2 ZINC000587408786 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nnnn1-c1ccccc1)(c1cccc3ccccc13)O2 ZINC000587408792 JK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408862 JK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408864 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Sc3ccccn3)c([N+](=O)[O-])c1)(c1ccccn1)O2 ZINC000587409163 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Sc3ccccn3)c([N+](=O)[O-])c1)(c1ccccn1)O2 ZINC000587409170 JK Annotated Bother COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587409186 JK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587409189 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Sc1cccc3cccnc13)O2 ZINC000587409245 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Sc1cccc3cccnc13)O2 ZINC000587409248 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587409251 JK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587409259 JK Annotated Bother COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(=O)c4cc(C)cc(N)c4O2)CC(C)(C)C3)cc1 ZINC000587409306 JK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(=O)c4cc(C)cc(N)c4O2)CC(C)(C)C3)cc1 ZINC000587409310 JK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc31)O2 ZINC000587409322 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc31)O2 ZINC000587409324 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc3ccccc3cc2C(=O)c2cc3ccccc3cc21 ZINC000587409486 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc13)O2 ZINC000587409533 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc13)O2 ZINC000587409541 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccccc1C(=O)O)(c1ccc(-c3ccccc3)cc1)O2 ZINC000587409710 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccccc1C(=O)O)(c1ccc(-c3ccccc3)cc1)O2 ZINC000587409715 JK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)CC(=O)c1cc(C)cc(N)c1O5 ZINC000587409923 JK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)CC(=O)c1cc(C)cc(N)c1O5 ZINC000587409924 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(SCc3ccc(Cl)cc3)n(C)c3ccccc13)O2 ZINC000587409932 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(SCc3ccc(Cl)cc3)n(C)c3ccccc13)O2 ZINC000587409933 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nnc(-c3ccco3)o1)(c1ccc3c(c1)CCC3)O2 ZINC000587409958 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nnc(-c3ccco3)o1)(c1ccc3c(c1)CCC3)O2 ZINC000587409959 JK Annotated Anodyne CC([C@H]1CC(=O)c2cc(C)cc(N)c2O1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587410023 JK Annotated Unstable CC([C@@H]1CC(=O)c2cc(C)cc(N)c2O1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587410026 JK Annotated Unstable Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587410229 JK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587410232 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c1)O2 ZINC000587410248 JK Annotated Bother CCC([C@H]1CC(=O)c2cc(C)cc(N)c2O1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587410260 JK Annotated Unstable CCC([C@@H]1CC(=O)c2cc(C)cc(N)c2O1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587410261 JK Annotated Unstable CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@]12C ZINC000587410300 JK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@]12C ZINC000587410301 JK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410323 JK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410324 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c1)O2 ZINC000587410395 JK Annotated Bother CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410426 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410428 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccc4ccccc4c3O2)cc1OC ZINC000587410514 JK Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccc4ccccc4c3O2)cc1OC ZINC000587410518 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC1)O2 ZINC000587410557 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC1)O2 ZINC000587410558 JK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587410620 JK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587410621 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O ZINC000587410991 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O ZINC000587410992 JK Annotated Reactive Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411042 JK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411046 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cc(C)cc(C)c4)c(Br)c1)[C@@H](C2)C3=O ZINC000587411134 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cc(C)cc(C)c4)c(Br)c1)[C@@H](C2)C3=O ZINC000587411138 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)s3)nc3ccccn13)O2 ZINC000587411145 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)s3)nc3ccccn13)O2 ZINC000587411150 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(SCC(=O)O)c3cccc1c23 ZINC000587411184 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(SCC(=O)O)c3cccc1c23 ZINC000587411193 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(Sc3ccc(Cl)cc3)n1-c1ccccc1)O2 ZINC000587411318 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(Sc3ccc(Cl)cc3)n1-c1ccccc1)O2 ZINC000587411319 JK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)C2CC2)cc1 ZINC000587411556 JK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)C2CC2)cc1 ZINC000587411559 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)nc1C ZINC000587411560 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)nc1C ZINC000587411561 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587411572 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587411574 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1ccc(OCC(=O)O)c(Cl)c1Cl)O2 ZINC000587411636 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1ccc(OCC(=O)O)c(Cl)c1Cl)O2 ZINC000587411638 JK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl ZINC000587411743 JK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl ZINC000587411744 JK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587411922 JK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587411934 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)c(OC)cc1Br)[C@@H](C2)C3=O ZINC000587411935 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)c(OC)cc1Br)[C@@H](C2)C3=O ZINC000587411938 JK Annotated Anodyne COc1ccc(Sc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccccc3)nn2C)cc1 ZINC000587411983 JK Annotated Anodyne COc1ccc(Sc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccccc3)nn2C)cc1 ZINC000587411988 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCn1cccc1)[C@@H](C2)C3=O ZINC000587412056 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCn1cccc1)[C@@H](C2)C3=O ZINC000587412059 JK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)CC(=O)c3cc(C)cc(N)c3O1)C=CC(C)(C)O2 ZINC000587412093 JK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)CC(=O)c3cc(C)cc(N)c3O1)C=CC(C)(C)O2 ZINC000587412097 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587412176 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587412189 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Cl)cc1)O2 ZINC000587412234 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Cl)cc1)O2 ZINC000587412239 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O ZINC000587412390 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O ZINC000587412391 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(-c4ccc(Br)cc4)sc31)O2 ZINC000587412420 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(-c4ccc(Br)cc4)sc31)O2 ZINC000587412421 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1scc(Br)c1Br)O2 ZINC000587412473 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1scc(Br)c1Br)O2 ZINC000587412474 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Sc3ccc(Cl)cc3)o1)O2 ZINC000587412485 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Sc3ccc(Cl)cc3)o1)O2 ZINC000587412486 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587412526 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587412531 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)cc(Br)c1O)[C@@H](C2)C3=O ZINC000587412557 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)cc(Br)c1O)[C@@H](C2)C3=O ZINC000587412574 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccc(Cl)c(Cl)c4)no1)[C@@H](C2)C3=O ZINC000587412684 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccc(Cl)c(Cl)c4)no1)[C@@H](C2)C3=O ZINC000587412694 JK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412837 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412838 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412839 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412840 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412865 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412866 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412867 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412868 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCc1ccccc1 ZINC000587412900 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCc1ccccc1 ZINC000587412903 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccccc4Br)c1)[C@@H](C2)C3=O ZINC000587412939 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccccc4Br)c1)[C@@H](C2)C3=O ZINC000587412942 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4Br)o1)[C@@H](C2)C3=O ZINC000587412960 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4Br)o1)[C@@H](C2)C3=O ZINC000587412961 JK Annotated Bother COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)C(C)(C)CCC4(C)C)[C@@H](C2)C3=O ZINC000587412973 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)C(C)(C)CCC4(C)C)[C@@H](C2)C3=O ZINC000587412975 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587413012 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587413013 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccc(Cl)cc4)no1)[C@@H](C2)C3=O ZINC000587413037 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccc(Cl)cc4)no1)[C@@H](C2)C3=O ZINC000587413045 JK Annotated Reactive CCOc1ccc(CCNc2nc(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)cc1OCC ZINC000587413148 JK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)cc1OCC ZINC000587413152 JK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413210 JK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413212 JK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413214 JK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413215 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587413225 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587413226 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@H](C)C3)O2 ZINC000587413231 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@@H](C)C3)O2 ZINC000587413232 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@@H](C)C3)O2 ZINC000587413233 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@H](C)C3)O2 ZINC000587413234 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587413403 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587413404 JK Annotated Reactive CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)cc1OCc1ccccc1 ZINC000587413409 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)cc1OCc1ccccc1 ZINC000587413410 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3cc(Br)ccc3o1)(c1cccs1)O2 ZINC000587413445 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3cc(Br)ccc3o1)(c1cccs1)O2 ZINC000587413446 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1c(C)cc(C)cc1Br)[C@@H](C2)C3=O ZINC000587413618 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(C)cc(C)cc1Br)[C@@H](C2)C3=O ZINC000587413622 JK Annotated Reactive COc1ccc([C@@]2(Cc3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587413666 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587413668 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)nc3sccn13)O2 ZINC000587413670 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)nc3sccn13)O2 ZINC000587413672 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1oc4ccccc4c1CBr)[C@@H](C2)C3=O ZINC000587413786 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1oc4ccccc4c1CBr)[C@@H](C2)C3=O ZINC000587413787 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587413788 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587413789 JK Annotated Reactive COc1ccc([C@@]2(Cc3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587413790 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587413791 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587414056 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587414057 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N=Nc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587414085 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N=Nc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587414087 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)O2 ZINC000587414172 JK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)O2 ZINC000587414179 JK Annotated Bother CCCOc1c(Br)cc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414183 JK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414185 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccncc4)nc1-c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414186 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccncc4)nc1-c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414189 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414210 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414211 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414212 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1sc3ccc(Cl)cc3c1C)O2 ZINC000587414290 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1sc3ccc(Cl)cc3c1C)O2 ZINC000587414291 JK Annotated Reactive CCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414328 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414330 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414336 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCc4ccccc4)cc1Br)[C@@H](C2)C3=O ZINC000587414367 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCc4ccccc4)cc1Br)[C@@H](C2)C3=O ZINC000587414373 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4Br)c1)[C@@H](C2)C3=O ZINC000587414461 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4Br)c1)[C@@H](C2)C3=O ZINC000587414463 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(-c4ccccc4Br)sc31)O2 ZINC000587414499 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(-c4ccccc4Br)sc31)O2 ZINC000587414502 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(Br)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587414523 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(Br)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587414525 JK Annotated Clean CCOc1c(Br)cc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414549 JK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414551 JK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587414635 JK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587414639 JK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587414640 JK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587414642 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc(-c4ccc(Cl)cc4Cl)no1)[C@@H](C2)C3=O ZINC000587414735 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(-c4ccc(Cl)cc4Cl)no1)[C@@H](C2)C3=O ZINC000587414736 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4C#N)c(Br)c1)[C@@H](C2)C3=O ZINC000587414787 JK Annotated Mild COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587414789 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4C#N)c(Br)c1)[C@@H](C2)C3=O ZINC000587414792 JK Annotated Mild COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587414794 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587414888 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587414890 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587414891 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587414893 JK Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc2ccccc2s1 ZINC000587414946 JK Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc2ccccc2s1 ZINC000587414951 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CCC3)O2 ZINC000587414980 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Br)cc1Br)[C@@H](C2)C3=O ZINC000587415040 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Br)cc1Br)[C@@H](C2)C3=O ZINC000587415041 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(N(C(=O)c3ccccc3Cl)C3CC3)nc1C)O2 ZINC000587415113 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(N(C(=O)c3ccccc3Cl)C3CC3)nc1C)O2 ZINC000587415114 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CCC3)O2 ZINC000587415142 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587415222 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587415225 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587415226 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587415229 JK Annotated Reactive Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415324 JK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415328 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C1)O2 ZINC000587415371 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](C1=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C1)O2 ZINC000587415372 JK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3nc1Sc1nc3ccccc3s1)O2 ZINC000587415408 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3nc1Sc1nc3ccccc3s1)O2 ZINC000587415409 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587415448 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587415449 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587415450 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587415451 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(Cl)c1)(c1c(N)sc3c1CCC3)O2 ZINC000587415566 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(Cl)c1)(c1c(N)sc3c1CCC3)O2 ZINC000587415568 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OCc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415590 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OCc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415591 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OCc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415593 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OCc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415594 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CCCC3)O2 ZINC000587415620 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CCCC3)O2 ZINC000587415621 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587415764 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587415765 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 ZINC000587415766 JK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 ZINC000587415767 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415778 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415779 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccccc4)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415780 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccccc4)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415781 JK Annotated Reactive COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587415813 JK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587415814 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n13)O2 ZINC000587415815 JK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n13)O2 ZINC000587415816 JK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415947 JK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415951 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc(Br)c4)c1)[C@@H](C2)C3=O ZINC000587416402 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc(Br)c4)c1)[C@@H](C2)C3=O ZINC000587416403 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1C)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587416408 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1C)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587416409 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O ZINC000587416422 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O ZINC000587416423 JK Annotated Reactive COc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416428 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416429 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416442 JK Annotated Bother COc1cc2c3c(c1)O[C@@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416443 JK Annotated Bother COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587416563 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587416564 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416601 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416603 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416644 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416646 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O ZINC000587416706 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O ZINC000587416707 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587416720 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587416721 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(Br)c5cccc1c45)[C@@H](C2)C3=O ZINC000587416770 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(Br)c5cccc1c45)[C@@H](C2)C3=O ZINC000587416771 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416789 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416790 JK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416811 JK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416812 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Br)cc4Cl)o1)[C@@H](C2)C3=O ZINC000587416836 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Br)cc4Cl)o1)[C@@H](C2)C3=O ZINC000587416837 JK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587416863 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(Br)cc4)cnc1Cl)[C@@H](C2)C3=O ZINC000587416865 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(Br)cc4)cnc1Cl)[C@@H](C2)C3=O ZINC000587416866 JK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416869 JK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416870 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1cccc(C)c1)[C@@H](C2)C3=O ZINC000587416873 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1cccc(C)c1)[C@@H](C2)C3=O ZINC000587416874 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CNc1ccc(Br)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587416875 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNc1ccc(Br)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587416876 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587416883 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587416884 JK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587416888 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc(Br)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587416904 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc(Br)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587416906 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C(C)(C)C)cc4)c1C)[C@@H](C2)C3=O ZINC000587417016 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C(C)(C)C)cc4)c1C)[C@@H](C2)C3=O ZINC000587417017 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417049 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Br)ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417053 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccc(OC)c(OC)c4)c1C)[C@@H](C2)C3=O ZINC000587417063 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccc(OC)c(OC)c4)c1C)[C@@H](C2)C3=O ZINC000587417064 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1cc(C)c(OC)c(C)c1)[C@@H](C2)C3=O ZINC000587417097 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1cc(C)c(OC)c(C)c1)[C@@H](C2)C3=O ZINC000587417098 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Br)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587417099 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Br)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587417102 JK Annotated Anodyne COc1cc2c3c(c1)OC1(c4cc(Br)ccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587417134 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(Br)cc4)c1)[C@@H](C2)C3=O ZINC000587417147 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(Br)cc4)c1)[C@@H](C2)C3=O ZINC000587417148 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587417159 JK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587417160 JK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417173 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417174 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nc4ccc(Br)cn14)[C@@H](C2)C3=O ZINC000587417201 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nc4ccc(Br)cn14)[C@@H](C2)C3=O ZINC000587417202 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(Br)cc(Br)cc14)[C@@H](C2)C3=O ZINC000587417236 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(Br)cc(Br)cc14)[C@@H](C2)C3=O ZINC000587417237 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cccc(Br)c14)[C@@H](C2)C3=O ZINC000587417238 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cccc(Br)c14)[C@@H](C2)C3=O ZINC000587417240 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1cccc(Cl)c1 ZINC000587417350 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1cccc(Cl)c1 ZINC000587417354 JK Annotated Anodyne CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587417365 JK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587417367 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)-c1cc(C(=O)CCl)ccc1C4)[C@@H](C2)C3=O ZINC000587417418 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)-c1cc(C(=O)CCl)ccc1C4)[C@@H](C2)C3=O ZINC000587417419 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1c(Br)c4ccccc4n1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587417468 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Br)c4ccccc4n1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587417472 JK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417518 JK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417520 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417528 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417529 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OC/C=C(/C)CCC=C(C)C)[C@@H](C2)C3=O ZINC000587417530 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OC/C=C(/C)CCC=C(C)C)[C@@H](C2)C3=O ZINC000587417539 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OC/C=C(\C)CCC=C(C)C)[C@@H](C2)C3=O ZINC000587417540 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OC/C=C(\C)CCC=C(C)C)[C@@H](C2)C3=O ZINC000587417541 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587417563 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587417565 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(-c4cccc(Br)c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587417566 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(Cl)cc4Cl)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587417577 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(Cl)cc4Cl)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587417580 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)c(Cl)c4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587417646 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)c(Cl)c4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587417647 JK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417652 JK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417653 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587417658 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587417659 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4Cl)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587417660 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4Cl)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587417661 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Cl)cc4Cl)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587417668 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Cl)cc4Cl)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587417669 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587417754 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587417755 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417760 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417761 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417762 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(Cl)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417763 JK Annotated Reactive CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417778 JK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417779 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(-c4cccc(Br)c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587417780 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)nc4cc(Cl)ccn14)[C@@H](C2)C3=O ZINC000587417801 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)nc4cc(Cl)ccn14)[C@@H](C2)C3=O ZINC000587417802 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCc1ccc(Br)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417809 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCc1ccc(Br)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417810 JK Annotated Anodyne CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417838 JK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417840 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417841 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Br)ccc1O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417845 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)cc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587417859 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)cc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587417861 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCNc1ccc(C)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417880 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCNc1ccc(C)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417885 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417897 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417900 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc(Cl)c4Cl)c1)[C@@H](C2)C3=O ZINC000587417935 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc(Cl)c4Cl)c1)[C@@H](C2)C3=O ZINC000587417936 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587417948 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587417951 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(Cl)cc4C)c1)[C@@H](C2)C3=O ZINC000587417964 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(Cl)cc4C)c1)[C@@H](C2)C3=O ZINC000587417966 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nc4ccc(Br)cn14)[C@@H](C2)C3=O ZINC000587418005 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nc4ccc(Br)cn14)[C@@H](C2)C3=O ZINC000587418006 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587418038 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587418040 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587418091 JK Annotated Mild COc1cc2c3c(c1)O[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587418092 JK Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(Cl)c(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587418103 JK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(Cl)c(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587418104 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCC(F)(F)F)[C@@H](C2)C3=O ZINC000587418129 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCC(F)(F)F)[C@@H](C2)C3=O ZINC000587418130 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(=O)O)cc(C(F)(F)F)c4)cc1)[C@@H](C2)C3=O ZINC000587418150 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(=O)O)cc(C(F)(F)F)c4)cc1)[C@@H](C2)C3=O ZINC000587418151 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c(Br)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587418169 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c(Br)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587418174 JK Annotated Anodyne CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587418210 JK Annotated Reactive CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587418211 JK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587418212 JK Annotated Reactive CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587418213 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C(c4ccccc4)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587418239 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C(c4ccccc4)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587418242 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(Br)cc4)c1)[C@@H](C2)C3=O ZINC000587418262 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(Br)cc4)c1)[C@@H](C2)C3=O ZINC000587418265 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@]1(Cc4ccc(Cl)cc4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418313 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@]1(Cc4ccc(Cl)cc4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418314 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@]1(Cc4ccc(Cl)cc4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418315 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@]1(Cc4ccc(Cl)cc4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587418316 JK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418324 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418326 JK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418327 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418328 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(-c4ccc(Cl)cc4)o1)[C@@H](C2)C3=O ZINC000587418333 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(-c4ccc(Cl)cc4)o1)[C@@H](C2)C3=O ZINC000587418361 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587418383 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587418387 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418395 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OCc1ccccc1Cl ZINC000587418396 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418397 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OCc1ccccc1Cl ZINC000587418401 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4ccc(Br)cc4c1Cl)[C@@H](C2)C3=O ZINC000587418440 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4ccc(Br)cc4c1Cl)[C@@H](C2)C3=O ZINC000587418444 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587418461 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587418463 JK Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1cc4oc(=O)c(C)c(C)c4cc1Cl)[C@@H](C2)C3=O ZINC000587418492 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1cc4oc(=O)c(C)c(C)c4cc1Cl)[C@@H](C2)C3=O ZINC000587418502 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1cc4oc(=O)c(C)c(C)c4cc1Cl)[C@@H](C2)C3=O ZINC000587418504 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1cc4oc(=O)c(C)c(C)c4cc1Cl)[C@@H](C2)C3=O ZINC000587418507 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418611 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418614 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587418639 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587418641 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587418647 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587418651 JK Annotated Anodyne COc1ccc([C@@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418653 JK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418655 JK Annotated Reactive COc1ccc([C@@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418657 JK Annotated Reactive COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418659 JK Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCCc4c1c(Br)c(C)n4-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587418683 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1c(Br)c(C)n4-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587418685 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(-c4ccc(C(F)(F)F)cc4)nc1Cl)[C@@H](C2)C3=O ZINC000587418761 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(-c4ccc(C(F)(F)F)cc4)nc1Cl)[C@@H](C2)C3=O ZINC000587418767 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587418787 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc4c(Br)cn(C(=O)OC(C)(C)C)c4c1)[C@@H](C2)C3=O ZINC000587418790 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587418791 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc4c(Br)cn(C(=O)OC(C)(C)C)c4c1)[C@@H](C2)C3=O ZINC000587418792 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418815 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418817 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccc(C(F)(F)F)cc4)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587418840 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccc(C(F)(F)F)cc4)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587418843 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccc(C(F)(F)F)cc4)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587418845 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccc(C(F)(F)F)cc4)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587418846 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418930 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587418934 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418938 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587418944 JK Annotated Bother COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418974 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418976 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587419018 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587419020 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4COc5ccc(Br)cc5C4)c1)[C@@H](C2)C3=O ZINC000587419077 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4COc5ccc(Br)cc5C4)c1)[C@@H](C2)C3=O ZINC000587419084 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587419112 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587419118 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587419131 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587419137 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587419140 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587419143 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587419177 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587419180 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587419185 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587419188 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4cccc(Br)c4)c1)[C@@H](C2)C3=O ZINC000587419192 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4cccc(Br)c4)c1)[C@@H](C2)C3=O ZINC000587419194 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CNc1ccc(Cl)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587419197 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNc1ccc(Cl)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587419235 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCOc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587419244 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCOc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587419252 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(Br)cc4)nc1C(C)C)[C@@H](C2)C3=O ZINC000587419271 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(Br)cc4)nc1C(C)C)[C@@H](C2)C3=O ZINC000587419273 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCc4ccccc4Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587419295 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCc4ccccc4Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587419299 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4o1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587419309 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4o1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587419313 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(Cl)c(Cl)cc4Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587419381 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(Cl)c(Cl)cc4Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587419390 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C(F)(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587419396 JK Annotated Reactive CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1Cl ZINC000587419400 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1Cl ZINC000587419403 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C(F)(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587419412 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419423 JK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419425 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587419437 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587419451 JK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(Cl)cc1 ZINC000587419487 JK Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(Cl)cc1 ZINC000587419491 JK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(Cl)cc1 ZINC000587419494 JK Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(Cl)cc1 ZINC000587419497 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4o1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419570 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4o1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419572 JK Annotated Anodyne CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419674 JK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419676 JK Annotated Mild CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419829 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419831 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419835 JK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419838 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587419860 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587419864 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)cc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587419900 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)cc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587419903 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4cccc(Br)c4)cc1)[C@@H](C2)C3=O ZINC000587419906 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4cccc(Br)c4)cc1)[C@@H](C2)C3=O ZINC000587419908 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Cl)cc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587419913 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Cl)cc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587419917 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cccc(Br)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587419924 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cccc(Br)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587419925 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCn1nc(C)c(Cl)c1C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420005 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1SCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587420009 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587420011 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587420012 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCn1nc(C)c(Cl)c1C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420025 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1SCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587420039 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccc(Cl)c(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587420048 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccc(Cl)c(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587420051 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C(F)(F)F)c1)(c1c(N)sc(C)c1C)[C@@H](C2)C3=O ZINC000587420069 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C(F)(F)F)c1)(c1c(N)sc(C)c1C)[C@@H](C2)C3=O ZINC000587420082 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420089 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420092 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587420094 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587420096 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nn(Cc4c(Cl)cccc4Cl)cc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587420118 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nn(Cc4c(Cl)cccc4Cl)cc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587420123 JK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587420126 JK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587420130 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(Br)cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587420139 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ncc(C(F)(F)F)cc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587420140 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(Br)cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587420146 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ncc(C(F)(F)F)cc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587420157 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(C(F)(F)F)ccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587420158 JK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(C(F)(F)F)ccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587420161 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(-c4cc(Cl)ccc4Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587420184 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(Cl)ccc4Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587420191 JK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420201 JK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420203 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(C(F)(F)F)cc4N[C@H]1c1cccs1)[C@@H](C2)C3=O ZINC000587420330 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(C(F)(F)F)cc4N[C@@H]1c1cccs1)[C@@H](C2)C3=O ZINC000587420335 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(C(F)(F)F)cc4N[C@H]1c1cccs1)[C@@H](C2)C3=O ZINC000587420337 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(C(F)(F)F)cc4N[C@@H]1c1cccs1)[C@@H](C2)C3=O ZINC000587420339 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc(C(F)(F)F)c1 ZINC000587420366 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc(C(F)(F)F)c1 ZINC000587420372 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(C(F)(F)F)c(Br)cc14)[C@@H](C2)C3=O ZINC000587420395 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(C(F)(F)F)c(Br)cc14)[C@@H](C2)C3=O ZINC000587420396 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1cc(C)n4-c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420406 JK Annotated Clean COc1cc2c3c(c1)O[C@@]1(CCCc4c1cc(C)n4-c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420407 JK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(=O)n(Cc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420411 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(=O)n(Cc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420412 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420441 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420443 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccc(Cl)c(Cl)c4)c4ccccc41)[C@@H](C2)C3=O ZINC000587420454 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H](c4ccc(Cl)c(Cl)c4)c4ccccc41)[C@@H](C2)C3=O ZINC000587420457 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccc(Cl)c(Cl)c4)c4ccccc41)[C@@H](C2)C3=O ZINC000587420459 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H](c4ccc(Cl)c(Cl)c4)c4ccccc41)[C@@H](C2)C3=O ZINC000587420462 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420464 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420471 JK Annotated Bother COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587420475 JK Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587420476 JK Annotated Mild CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587420503 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587420509 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587420543 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587420546 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420570 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420579 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420584 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4Cl)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587420585 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420589 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4Cl)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587420590 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587420612 JK Annotated Mild CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(Cl)c1 ZINC000587420621 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587420623 JK Annotated Mild CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(Cl)c1 ZINC000587420624 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4Cl)c4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587420634 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4Cl)c4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587420635 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420637 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420642 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420651 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420661 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420665 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420670 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc(C(F)(F)F)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587420680 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc(C(F)(F)F)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587420685 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587420694 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587420714 JK Annotated Reactive CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OCc1ccccc1Cl ZINC000587420716 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OCc1ccccc1Cl ZINC000587420720 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cc(C(F)(F)F)c(C#N)cc14)[C@@H](C2)C3=O ZINC000587420755 JK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cc(C(F)(F)F)c(C#N)cc14)[C@@H](C2)C3=O ZINC000587420759 JK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420775 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420778 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(C(F)(F)F)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587420834 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(C(F)(F)F)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587420839 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ncccc4C(F)(F)F)c4ccccc14)[C@@H](C2)C3=O ZINC000587420861 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ncccc4C(F)(F)F)c4ccccc14)[C@@H](C2)C3=O ZINC000587420863 JK Annotated Anodyne COc1cc2c3c(c1)OC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420871 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCO4)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587420958 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCO4)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587420959 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(=O)Nc1c(C)cc(C)cc1Cl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587420995 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)Nc1c(C)cc(C)cc1Cl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587420999 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccnc4ccccc14)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587421004 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)c(Cl)c(C)c4)c1)[C@@H](C2)C3=O ZINC000587421005 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)c(Cl)c(C)c4)c1)[C@@H](C2)C3=O ZINC000587421006 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587421014 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587421015 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587421020 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587421021 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587421030 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587421031 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc5cc(Br)ccc5c4)o1)[C@@H](C2)C3=O ZINC000587421034 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc5cc(Br)ccc5c4)o1)[C@@H](C2)C3=O ZINC000587421035 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587421085 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587421087 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OCc4ccc(Cl)cc4Cl)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587421129 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OCc4ccc(Cl)cc4Cl)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587421130 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421197 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421199 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(Cl)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587421223 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(Cl)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587421225 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccnc4ccccc14)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587421229 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421232 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421234 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421238 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421242 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)c(Cl)cc4C(C)C)c1)[C@@H](C2)C3=O ZINC000587421277 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(C(F)(F)F)cc4)n1)[C@@H](C2)C3=O ZINC000587421282 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)c(Cl)cc4C(C)C)c1)[C@@H](C2)C3=O ZINC000587421283 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(C(F)(F)F)cc4)n1)[C@@H](C2)C3=O ZINC000587421284 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(Cl)c(C)c4)c1)[C@@H](C2)C3=O ZINC000587421285 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(Cl)c(C)c4)c1)[C@@H](C2)C3=O ZINC000587421287 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421312 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421317 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587421319 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587421322 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587421372 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587421381 JK Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4cccs4)Nc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587421390 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4cccs4)Nc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587421393 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4cccs4)Nc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587421394 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4cccs4)Nc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587421396 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587421428 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587421430 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4n1C(F)F)(c1cccs1)[C@@H](C2)C3=O ZINC000587421447 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4n1C(F)F)(c1cccs1)[C@@H](C2)C3=O ZINC000587421450 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C(F)F)cc4C(F)F)c1)[C@@H](C2)C3=O ZINC000587421463 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C(F)F)cc4C(F)F)c1)[C@@H](C2)C3=O ZINC000587421468 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587421628 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587421629 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421632 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421633 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421671 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421674 JK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4ccc(Cl)cc4Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587421678 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4ccc(Cl)cc4Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587421681 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587421750 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587421755 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H](C2)C3=O ZINC000587421760 JK Annotated Mild COc1cc2c3c(c1)O[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H](C2)C3=O ZINC000587421768 JK Annotated Mild COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421817 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421819 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421820 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421822 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587421827 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587421831 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587421898 JK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587421900 JK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587421968 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587422010 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4cccc(C(F)(F)F)c4)n1)[C@@H](C2)C3=O ZINC000587422041 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4cccc(C(F)(F)F)c4)n1)[C@@H](C2)C3=O ZINC000587422043 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422105 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422114 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587422143 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587422144 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1C(F)(F)F)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587422153 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1C(F)(F)F)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587422154 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)[C@@H](C2)C3=O ZINC000587422157 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)[C@@H](C2)C3=O ZINC000587422158 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587422184 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587422186 JK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422230 JK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422236 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587422240 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587422242 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587422243 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587422246 JK Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(Oc4ccccc4Cl)=C(C)Oc4c1ccc(O)c4C)[C@@H](C2)C3=O ZINC000587422410 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4c(Cl)cccc4Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587422455 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587422458 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4c(Cl)cccc4Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587422460 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(Cl)cc(Cl)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587422470 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587422471 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)cc(Cl)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587422472 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)nc4cc(Cl)ccn14)[C@@H](C2)C3=O ZINC000587422496 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)nc4cc(Cl)ccn14)[C@@H](C2)C3=O ZINC000587422505 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4cccc(C(F)(F)F)c4)c4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422540 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4cccc(C(F)(F)F)c4)c4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422545 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4c(Cl)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587422561 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4c(Cl)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587422564 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422600 JK Annotated Bother COc1cc2c3c(c1)O[C@](CSc1ccccc1C(=O)O)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587422601 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422607 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Cl)cc4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587422610 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Cl)cc4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587422613 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)c1cc(Cl)cc(Cl)c1N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587422660 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COC(=O)c1cc(Cl)cc(Cl)c1N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587422668 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587422688 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587422691 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccccc4Cl)=C(C)Oc4c1ccc(O)c4C)[C@@H](C2)C3=O ZINC000587422695 JK Annotated Anodyne CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587422768 JK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587422771 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587422777 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587422780 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422789 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ccccc1C(=O)O)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587422802 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587422810 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587422812 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cn(CCCCCF)c4ccccc14)(C1C(C)(C)C1(C)C)[C@@H](C2)C3=O ZINC000587422863 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cn(CCCCCF)c4ccccc14)(C1C(C)(C)C1(C)C)[C@@H](C2)C3=O ZINC000587422871 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)cc4C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587422883 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)cc4C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587422890 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc1)[C@@H](C2)C3=O ZINC000587422907 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc1)[C@@H](C2)C3=O ZINC000587422908 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(Cl)cc1 ZINC000587422976 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(Cl)cc1 ZINC000587422978 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423086 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(OC(F)(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587423169 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(OC(F)(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587423171 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587423184 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587423185 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc4c(c1)CCC4)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423206 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc4c(c1)CCC4)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423209 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(-c4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587423210 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(-c4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587423213 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587423235 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587423237 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4nc(C5CC5)cc(C(F)(F)F)n4)cc1)[C@@H](C2)C3=O ZINC000587423254 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nc(C5CC5)cc(C(F)(F)F)n4)cc1)[C@@H](C2)C3=O ZINC000587423257 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4nc(C)cc(C(F)F)n4)c1)[C@@H](C2)C3=O ZINC000587423258 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4nc(C)cc(C(F)F)n4)c1)[C@@H](C2)C3=O ZINC000587423261 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587423290 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587423291 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1c(F)cccc1Cl)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587423381 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1c(F)cccc1Cl)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587423386 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587423389 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587423390 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423556 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423557 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423558 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423559 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]([C@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587423560 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587423561 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]([C@@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587423562 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587423563 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OCc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587423618 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OCc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587423620 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587423630 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587423633 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4c(Cl)cccc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587423661 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4c(Cl)cccc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587423664 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1C(F)(F)F)(C1CC1)[C@@H](C2)C3=O ZINC000587423694 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1C(F)(F)F)(C1CC1)[C@@H](C2)C3=O ZINC000587423696 JK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2Cl)c1 ZINC000587423706 JK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2Cl)c1 ZINC000587423709 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587423737 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587423740 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423771 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423773 JK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O ZINC000587423783 JK Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O ZINC000587423794 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587423796 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O ZINC000587423798 JK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)[C@@H](C2)C3=O ZINC000587423800 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587423805 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1c(Cl)cccc1Cl ZINC000587423830 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1c(Cl)cccc1Cl ZINC000587423832 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(SC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423846 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(Cl)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587423850 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(Cl)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587423851 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(SC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423852 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587423939 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587423940 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587423941 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587423942 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O ZINC000587423965 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O ZINC000587423966 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587424025 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587424026 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(Sc4cccc(C(F)(F)F)c4)nc4sccn14)[C@@H](C2)C3=O ZINC000587424042 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Sc4cccc(C(F)(F)F)c4)nc4sccn14)[C@@H](C2)C3=O ZINC000587424047 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OCc1ccccc1 ZINC000587424063 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OCc1ccccc1 ZINC000587424065 JK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424078 JK Annotated Reactive CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424080 JK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424082 JK Annotated Reactive CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424084 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424115 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424117 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424132 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424133 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(Cl)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424204 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(Cl)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424205 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587424220 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587424229 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587424239 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4c(Cl)cc(Cl)cc4Cl)o1)[C@@H](C2)C3=O ZINC000587424242 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587424243 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4c(Cl)cc(Cl)cc4Cl)o1)[C@@H](C2)C3=O ZINC000587424246 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4ccc(C(=O)O)cc4c1Cl)[C@@H](C2)C3=O ZINC000587424257 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(F)(F)F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587424262 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4ccc(C(=O)O)cc4c1Cl)[C@@H](C2)C3=O ZINC000587424265 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(F)(F)F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587424270 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OCc4cccc(C(F)(F)F)c4)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587424272 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OCc4cccc(C(F)(F)F)c4)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587424274 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(C)c([N+](=O)[O-])c4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424316 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(C)c([N+](=O)[O-])c4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424318 JK Annotated Bother COc1cc2c3c(c1)OC1(CCC(NC(=O)Nc4cc(Cl)ccc4Cl)CC1)[C@@H](C2)C3=O ZINC000587424358 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587424366 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587424367 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O ZINC000587424384 JK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O ZINC000587424392 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(Oc4cccc(C(F)(F)F)c4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587424475 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4cccc(C(F)(F)F)c4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587424477 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc4ccccc4n1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424573 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc4ccccc4n1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424574 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(F)c(F)cc(F)c4F)c1)[C@@H](C2)C3=O ZINC000587424603 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(F)c(F)cc(F)c4F)c1)[C@@H](C2)C3=O ZINC000587424604 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(F)c(F)c(F)c(F)c4F)c1)[C@@H](C2)C3=O ZINC000587424619 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(F)c(F)c(F)c(F)c4F)c1)[C@@H](C2)C3=O ZINC000587424620 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1c(F)cccc1Cl ZINC000587424661 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1c(F)cccc1Cl ZINC000587424662 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(F)cccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587424779 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(F)cccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587424780 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587424787 JK Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587424788 JK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(OC(F)F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587424893 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC(F)F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587424894 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1F)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587425535 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1F)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587425538 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(F)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587425949 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(F)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587425950 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587426107 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587426108 JK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587426144 JK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587426145 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Nc4cccc5c(C=O)c(C(C)(C)C)[nH]c45)c(F)c1)[C@@H](C2)C3=O ZINC000587426156 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Nc4cccc5c(C=O)c(C(C)(C)C)[nH]c45)c(F)c1)[C@@H](C2)C3=O ZINC000587426157 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)cc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587426189 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)cc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587426190 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1Br)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426295 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1Br)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426296 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4c(Nc5ccc(C=O)cc5F)cccc14)[C@@H](C2)C3=O ZINC000587426434 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4c(Nc5ccc(C=O)cc5F)cccc14)[C@@H](C2)C3=O ZINC000587426435 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426449 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426450 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(F)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587426453 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(F)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587426454 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c1)[C@@H](C2)C3=O ZINC000587426473 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c1)[C@@H](C2)C3=O ZINC000587426474 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc(CCC(=O)OCc4ccccc4)c1F)[C@@H](C2)C3=O ZINC000587426479 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(CCC(=O)OCc4ccccc4)c1F)[C@@H](C2)C3=O ZINC000587426480 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc(C#Cc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587426617 JK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc(C#Cc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587426621 JK Annotated Mild COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587426630 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587426632 JK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587426744 JK Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)Cc3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587426750 JK Annotated Anodyne COc1cccc([C@@]2([C@H](C)CN(C)Cc3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587426753 JK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587426755 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc1)[C@@H](C2)C3=O ZINC000587426826 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc1)[C@@H](C2)C3=O ZINC000587426830 JK Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(NC(=O)OCC4c5ccccc5-c5ccccc54)CC1)[C@@H](C2)C3=O ZINC000587426924 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(F)cc(F)c1)(c1cccnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587427177 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(F)cc(F)c1)(c1cccnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587427182 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(I)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587427183 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(I)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587427186 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(F)ccc(NC(=O)OCc4ccccc4)c1F)[C@@H](C2)C3=O ZINC000587427202 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(NC(=O)OCc4ccccc4)c1F)[C@@H](C2)C3=O ZINC000587427206 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)N(c4ccccc4)C(C)C)cc1)[C@@H](C2)C3=O ZINC000587427213 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)N(c4ccccc4)C(C)C)cc1)[C@@H](C2)C3=O ZINC000587427216 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(Br)cc4F)c1C)[C@@H](C2)C3=O ZINC000587427248 JK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(Br)cc4F)c1C)[C@@H](C2)C3=O ZINC000587427251 JK Annotated Clean COc1cc2c3c(c1)O[C@@](CBr)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O ZINC000587427283 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O ZINC000587427284 JK Annotated Reactive COc1cc2c3c(c1)O[C@](C)(Cc1c([N+](=O)[O-])ccc(OCc4ccccc4)c1F)[C@@H](C2)C3=O ZINC000587427305 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)(Cc1c([N+](=O)[O-])ccc(OCc4ccccc4)c1F)[C@@H](C2)C3=O ZINC000587427309 JK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587427314 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587427316 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(F)c(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587427345 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(F)c(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587427347 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(F)cc4)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587427446 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(F)cc4)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587427448 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1Oc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427520 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1Oc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427529 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1ccc(F)cc1 ZINC000587427607 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1ccc(F)cc1 ZINC000587427608 JK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587427694 JK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587427698 JK Annotated Mild COc1ccc([C@]2(Cc3ccccc3F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587427806 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587427808 JK Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(N(Cc4ccccc4)Cc4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587427852 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587427882 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587427883 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4sc5ccccc5n14)[C@@H](C2)C3=O ZINC000587427947 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4sc5ccccc5n14)[C@@H](C2)C3=O ZINC000587427950 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cccc(C(=O)c4ccc(F)cc4)c1)[C@@H](C2)C3=O ZINC000587427954 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cccc(C(=O)c4ccc(F)cc4)c1)[C@@H](C2)C3=O ZINC000587427958 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@@H](C2)C3=O ZINC000587427963 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@@H](C2)C3=O ZINC000587427964 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587428132 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587428134 JK Annotated Reactive CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587428217 JK Annotated Clean COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc([C@@H](C#N)c4ccc(F)cc4)cc1)[C@@H](C2)C3=O ZINC000587428340 JK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc([C@H](C#N)c4ccc(F)cc4)cc1)[C@@H](C2)C3=O ZINC000587428343 JK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc([C@H](C#N)c4ccc(F)cc4)cc1)[C@@H](C2)C3=O ZINC000587428344 JK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc([C@@H](C#N)c4ccc(F)cc4)cc1)[C@@H](C2)C3=O ZINC000587428345 JK Annotated Mild COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587428350 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587428357 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)cc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587428414 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)cc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587428417 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587428516 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587428518 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428525 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428530 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(c4ccc(C=O)cc4)c4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587428584 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(c4ccc(C=O)cc4)c4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587428585 JK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587428620 JK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587428621 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(F)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587428999 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(F)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587429000 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587429145 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587429151 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587429152 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587429153 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(OCc4ccccc4)c1)([C@@H](C)CN(C)C)[C@@H](C2)C3=O ZINC000587429207 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(OCc4ccccc4)c1)([C@H](C)CN(C)C)[C@@H](C2)C3=O ZINC000587429208 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(OCc4ccccc4)c1)([C@@H](C)CN(C)C)[C@@H](C2)C3=O ZINC000587429209 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(OCc4ccccc4)c1)([C@H](C)CN(C)C)[C@@H](C2)C3=O ZINC000587429210 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587429458 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587429459 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429514 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429515 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(F)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587429516 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(F)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587429517 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429532 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429533 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCc4cccc(F)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587429534 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCc4cccc(F)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587429535 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(F)cc4Br)cc1)[C@@H](C2)C3=O ZINC000587429673 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(F)cc4Br)cc1)[C@@H](C2)C3=O ZINC000587429679 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587429730 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587429735 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(I)cc4)c1C)[C@@H](C2)C3=O ZINC000587429745 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(I)cc4)c1C)[C@@H](C2)C3=O ZINC000587429753 JK Annotated Clean COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429773 JK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429777 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(C)cc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429785 JK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429786 JK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429787 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(C)cc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429790 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587429793 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587429797 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587429851 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587429859 JK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429889 JK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429899 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CCOc4cc(C)cc(C)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587429913 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CCOc4cc(C)cc(C)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587429918 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C4CC4)nc4ccccc4c1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429944 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C4CC4)nc4ccccc4c1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429950 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1c(C)c(CN=O)c4ccccn14)[C@@H](C2)C3=O ZINC000587430044 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1c(C)c(CN=O)c4ccccn14)[C@@H](C2)C3=O ZINC000587430045 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1c(N)sc4c1CC[C@@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587430054 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1c(N)sc4c1CC[C@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587430055 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1c(N)sc4c1CC[C@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587430056 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1c(N)sc4c1CC[C@@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587430057 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1Oc1cccc(F)c1)[C@@H](C2)C3=O ZINC000587430066 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1Oc1cccc(F)c1)[C@@H](C2)C3=O ZINC000587430067 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(F)cc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430095 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(F)cc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430099 JK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3C1=N2 ZINC000587430131 JK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3C1=N2 ZINC000587430134 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C45CC6CC(CC(C6)C4)C5)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587430161 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C45CC6CC(CC(C6)C4)C5)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587430164 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O ZINC000587430441 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O ZINC000587430442 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(NC(C)C)ccc(NC(C)C)c41)[C@@H](C2)C3=O ZINC000587430617 JK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(NC(C)C)ccc(NC(C)C)c41)[C@@H](C2)C3=O ZINC000587430619 JK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587430845 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587430847 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430916 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430919 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn1)[C@@H](C2)C3=O ZINC000587431098 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn1)[C@@H](C2)C3=O ZINC000587431099 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431133 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431134 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587431147 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587431148 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(c4ccccc4)c4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587431245 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(c4ccccc4)c4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587431248 JK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587431279 JK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587431287 JK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587431289 JK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587431292 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CC(C)C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587431354 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CC(C)C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587431361 JK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431595 JK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431598 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587431617 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587431623 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587431626 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587431628 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4cccc5ccccc45)c1N1CCCC1)[C@@H](C2)C3=O ZINC000587431646 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4cccc5ccccc45)c1N1CCCC1)[C@@H](C2)C3=O ZINC000587431648 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn(C)c1Oc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587431655 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn(C)c1Oc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587431659 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@H](C)n1c(C#N)nc4ccccc41)[C@@H](C2)C3=O ZINC000587431747 JK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@@H](C)n1c(C#N)nc4ccccc41)[C@@H](C2)C3=O ZINC000587431749 JK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@H](C)n1c(C#N)nc4ccccc41)[C@@H](C2)C3=O ZINC000587431751 JK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@@H](C)n1c(C#N)nc4ccccc41)[C@@H](C2)C3=O ZINC000587431752 JK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431809 JK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431810 JK Annotated Bother CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431841 JK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431848 JK Annotated Mild CCCCCCCCC[C@@]1(CC(=O)N[C@H]2CCCCC2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431849 JK Annotated Mild CCCCCCCCC[C@@]1(CC(=O)N[C@@H]2CCCCC2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431850 JK Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(OC(=O)c4cccc([N+](=O)[O-])c4)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587431933 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(OC(=O)c4cccc([N+](=O)[O-])c4)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587431940 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587432095 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587432096 JK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587432271 JK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587432274 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(C)cc4Oc4cccc(NC5CCCCCCC5)c41)[C@@H](C2)C3=O ZINC000587432329 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(C)cc4Oc4cccc(NC5CCCCCCC5)c41)[C@@H](C2)C3=O ZINC000587432332 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587432539 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587432540 JK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(C)c1C ZINC000587432605 JK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(C)c1C ZINC000587432606 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)n(-c4ccccc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587432609 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)n(-c4ccccc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587432610 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587432621 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587432622 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cc(C)ccc4C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432790 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cc(C)ccc4C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432794 JK Annotated Bother CCOc1ccc(Oc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(C)nn2-c2ccccc2)cc1 ZINC000587432919 JK Annotated Anodyne CCOc1ccc(Oc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(C)nn2-c2ccccc2)cc1 ZINC000587432924 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587433118 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587433119 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cc4ccccc4oc1=O)[C@@H](C2)C3=O ZINC000587433151 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cc4ccccc4oc1=O)[C@@H](C2)C3=O ZINC000587433152 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587433159 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587433160 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587433163 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587433164 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587433199 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587433200 JK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433301 JK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433302 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587433319 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587433320 JK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587433321 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587433322 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccccc1OC)[C@@H](C2)C3=O ZINC000587433413 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccccc1OC)[C@@H](C2)C3=O ZINC000587433414 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1occc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433542 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1occc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433547 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587433687 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4c(C)cc(C)cc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587433688 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433711 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433712 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Nc4c5ccccc5nc5occc45)cc1)[C@@H](C2)C3=O ZINC000587433951 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Nc4c5ccccc5nc5occc45)cc1)[C@@H](C2)C3=O ZINC000587433952 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1oc4ccccc4c1N)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587434064 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1oc4ccccc4c1N)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587434065 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccc(C)cc4[N+](=O)[O-])n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587434107 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(Oc4ccc(C)cc4[N+](=O)[O-])n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587434111 JK Annotated Bother COc1cc2c3c(c1)OC1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC1)[C@@H](C2)C3=O ZINC000587434580 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCC[C@@H](C[C@H](O)c4ccccc4)N1C)[C@@H](C2)C3=O ZINC000587434595 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCC[C@H](C[C@@H](O)c4ccccc4)N1C)[C@@H](C2)C3=O ZINC000587434596 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCC[C@H](C[C@H](O)c4ccccc4)N1C)[C@@H](C2)C3=O ZINC000587434597 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCC[C@@H](C[C@@H](O)c4ccccc4)N1C)[C@@H](C2)C3=O ZINC000587434598 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434622 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434623 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O ZINC000587434788 JK Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O ZINC000587434789 JK Annotated Bother COc1cc2c3c(c1)O[C@@H]([C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587435221 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587435222 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587435223 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587435225 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587436145 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587436146 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4o1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587436565 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4o1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587436566 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccc5oc6ccccc6c5c4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587436730 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccc5oc6ccccc6c5c4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587436732 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccc5oc6ccccc6c5c4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587436735 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccc5oc6ccccc6c5c4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587436736 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587437299 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587437301 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc5cccnc45)c1)[C@@H](C2)C3=O ZINC000587437449 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc5cccnc45)c1)[C@@H](C2)C3=O ZINC000587437453 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C45CC6CC(CC(C6)C4)C5)[nH]c4c(C)ccc(C)c14)[C@@H](C2)C3=O ZINC000587437523 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C45CC6CC(CC(C6)C4)C5)[nH]c4c(C)ccc(C)c14)[C@@H](C2)C3=O ZINC000587437526 JK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437786 JK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437791 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc4nc(-c5cccc(C#N)c5)[nH]c4c1)[C@@H](C2)C3=O ZINC000587438414 JK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc4nc(-c5cccc(C#N)c5)[nH]c4c1)[C@@H](C2)C3=O ZINC000587438418 JK Annotated Mild CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438593 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438594 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438595 JK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438596 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1cc(C)c(C)cc1C)[C@@H](C2)C3=O ZINC000587438869 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438876 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1cc(C)c(C)cc1C)[C@@H](C2)C3=O ZINC000587438877 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438913 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438914 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438923 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438926 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438929 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(OC)c(OC)c4OC)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438933 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(OC)c(OC)c4OC)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438936 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(C=O)cc1OCC[C@H](C)CCCC(C)C)[C@@H](C2)C3=O ZINC000587439773 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(C=O)cc1OCC[C@@H](C)CCCC(C)C)[C@@H](C2)C3=O ZINC000587439774 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(C=O)cc1OCC[C@@H](C)CCCC(C)C)[C@@H](C2)C3=O ZINC000587439775 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(C=O)cc1OCC[C@H](C)CCCC(C)C)[C@@H](C2)C3=O ZINC000587439776 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc2ccccc12 ZINC000587439779 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc2ccccc12 ZINC000587439780 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4C)[nH]c4ccc(C(C)(C)C)cc14)[C@@H](C2)C3=O ZINC000587439998 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4C)[nH]c4ccc(C(C)(C)C)cc14)[C@@H](C2)C3=O ZINC000587440007 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C45CC6CC(CC(C6)C4)C5)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587440082 JK Annotated Anodyne CCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440091 JK Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(C45CC6CC(CC(C6)C4)C5)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587440094 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440100 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440208 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440209 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440210 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440211 JK Annotated Mild CCCCCCCCOc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587440582 JK Annotated Mild CCCCCCCCOc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587440588 JK Annotated Mild CCCC[C@H](CC)COc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)cc1C=O ZINC000587440589 JK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)cc1C=O ZINC000587440601 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)cc1C=O ZINC000587440608 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)cc1C=O ZINC000587440610 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1cccc(C)c1 ZINC000587440700 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1cccc(C)c1 ZINC000587440704 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440780 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440798 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440859 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440864 JK Annotated Mild CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587440921 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587440923 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440950 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440953 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440954 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440955 JK Annotated Mild CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587441119 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587441128 JK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3)CC(OC)=CC4 ZINC000587441129 JK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3)CC(OC)=CC4 ZINC000587441141 JK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OCC)cc1 ZINC000587441295 JK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OCC)cc1 ZINC000587441310 JK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1OCC ZINC000587441329 JK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1OCC ZINC000587441333 JK Annotated Anodyne COc1cc2c3c(c1)OC1(c4ccccc4C(=Cc4ccc(OC)c(O)c4)c4ccccc41)[C@@H](C2)C3=O ZINC000587441390 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCCOc4cccc(C(C)=O)c4)c1)[C@@H](C2)C3=O ZINC000587441489 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCCOc4cccc(C(C)=O)c4)c1)[C@@H](C2)C3=O ZINC000587441491 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C(C)(C)C)cc4)c1)[C@@H](C2)C3=O ZINC000587441656 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C(C)(C)C)cc4)c1)[C@@H](C2)C3=O ZINC000587441663 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)ccc4C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587441786 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)ccc4C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587441794 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441863 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441864 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441865 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441866 JK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4cc(C)c(C)cc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587441911 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4cc(C)c(C)cc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587441912 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccc(C)c(C)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441931 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccc(C)c(C)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441932 JK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441988 JK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441989 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441990 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441991 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(O)cc1)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587442098 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587442107 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587442109 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587442118 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4Cc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587442219 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4Cc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587442223 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(Oc5ccc(C=O)cc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587442291 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587442297 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587442299 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(Oc5ccc(C=O)cc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587442306 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442356 JK Annotated Mild COc1cc2c3c(c1)O[C@](c1cc(-c4ccccc4)nc4ccccc14)([C@H]1CCCNC1=O)[C@@H](C2)C3=O ZINC000587442463 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(-c4ccccc4)nc4ccccc14)([C@H]1CCCNC1=O)[C@@H](C2)C3=O ZINC000587442464 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(-c4ccccc4)nc4ccccc14)([C@@H]1CCCNC1=O)[C@@H](C2)C3=O ZINC000587442465 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(-c4ccccc4)nc4ccccc14)([C@@H]1CCCNC1=O)[C@@H](C2)C3=O ZINC000587442466 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587442497 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587442498 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442542 JK Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(OCC[C@H](C)CCCC(C)C)c(C=O)cc1OC)[C@@H](C2)C3=O ZINC000587442594 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OCC[C@@H](C)CCCC(C)C)c(C=O)cc1OC)[C@@H](C2)C3=O ZINC000587442596 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OCC[C@@H](C)CCCC(C)C)c(C=O)cc1OC)[C@@H](C2)C3=O ZINC000587442597 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OCC[C@H](C)CCCC(C)C)c(C=O)cc1OC)[C@@H](C2)C3=O ZINC000587442599 JK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1OCC ZINC000587442665 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587442757 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)cc(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587442759 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)ccc4C(C)C)c1)[C@@H](C2)C3=O ZINC000587442793 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)ccc4C(C)C)c1)[C@@H](C2)C3=O ZINC000587442794 JK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442829 JK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442830 JK Annotated Anodyne CCOc1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1OCC ZINC000587442956 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443042 JK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443044 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443417 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443423 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443447 JK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443452 JK Annotated Mild COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587443541 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587443545 JK Annotated Anodyne COc1ccc([C@@]2([C@@H](C)c3ccc(CC(C)C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587443551 JK Annotated Anodyne COc1ccc([C@@]2([C@H](C)c3ccc(CC(C)C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587443553 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4C5=CCc6cc(OC(C)=O)ccc6[C@@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587443573 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4C5=CCc6cc(OC(C)=O)ccc6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587443584 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4C5=CCc6cc(OC(C)=O)ccc6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587443590 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4C5=CCc6cc(OC(C)=O)ccc6[C@@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587443596 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1ccc(C)cc1 ZINC000587443645 JK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1ccc(C)cc1 ZINC000587443649 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(C)cc(C(C)(C)C)cc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587443754 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(C)cc(C(C)(C)C)cc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587443756 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587444090 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587444099 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@H]5[C@H](CC[C@@]41C)C1=C(C[C@H]5C)CC(OC)(OC)CC1)[C@@H](C2)C3=O ZINC000587444130 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@H]5[C@H](CC[C@@]41C)C1=C(C[C@H]5C)CC(OC)(OC)CC1)[C@@H](C2)C3=O ZINC000587444135 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)ccc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587444210 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)ccc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587444214 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)c4ccccc41)[C@@H](C2)C3=O ZINC000587444384 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)c4ccccc41)[C@@H](C2)C3=O ZINC000587444394 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(N5CCOCC5)c5cccc1c45)[C@@H](C2)C3=O ZINC000587444411 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(N5CCOCC5)c5cccc1c45)[C@@H](C2)C3=O ZINC000587444414 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OCC4c5ccccc5-c5ccccc54)C1)[C@@H](C2)C3=O ZINC000587444425 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OCC4c5ccccc5-c5ccccc54)C1)[C@@H](C2)C3=O ZINC000587444426 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c1)[C@@H](C2)C3=O ZINC000587444452 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c1)[C@@H](C2)C3=O ZINC000587444453 JK Annotated Anodyne CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444486 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444487 JK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444659 JK Annotated Mild COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444822 JK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444828 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587444856 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587444857 JK Annotated Anodyne CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444980 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444982 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444984 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444985 JK Annotated Mild COc1cc2c3c(c1)O[C@](C[C@@H](CC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587444989 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](CC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587444992 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](CC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587444993 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](CC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587444995 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587445065 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587445066 JK Annotated Anodyne COc1cc2c3c(c1)OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587445105 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587445515 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587445518 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc1)[C@@H](C2)C3=O ZINC000587445594 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)N5CCCCC5)cc4)cc1)[C@@H](C2)C3=O ZINC000587445595 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(OC)ccc41)[C@@H](C2)C3=O ZINC000587445784 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(OC)ccc41)[C@@H](C2)C3=O ZINC000587445785 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](CC4CCC(C(C)(C)C)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587446110 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](CC4CCC(C(C)(C)C)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587446113 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](CC4CCC(C(C)(C)C)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587446115 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](CC4CCC(C(C)(C)C)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587446118 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(CCc4ccccc4)cc1)(c1cccc4ccccc14)[C@@H](C2)C3=O ZINC000587446483 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(CCc4ccccc4)cc1)(c1cccc4ccccc14)[C@@H](C2)C3=O ZINC000587446486 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587446882 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587446883 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]41)[C@@H](C2)C3=O ZINC000587446965 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]41)[C@@H](C2)C3=O ZINC000587446966 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447016 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447017 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447018 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447019 JK Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CC[C@H](C(C)=O)[C@@]6(C)CC(=O)[C@@H]54)C1)[C@@H](C2)C3=O ZINC000587447158 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CC[C@H](C(C)=O)[C@@]6(C)CC(=O)[C@@H]54)C1)[C@@H](C2)C3=O ZINC000587447159 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O ZINC000587447237 JK Annotated Bother COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O ZINC000587447238 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447269 JK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447270 JK Annotated Mild COc1cccc(SC[C@@]2(c3ccc(Br)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587447874 JK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587447878 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccc(O)cc4)Oc4cc(OC)c(CC=C(C)C)cc41)[C@@H](C2)C3=O ZINC000587447971 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccc(O)cc4)Oc4cc(OC)c(CC=C(C)C)cc41)[C@@H](C2)C3=O ZINC000587447973 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5C=CC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448040 JK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5C=CC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448045 JK Annotated Mild COc1cc2c3c(c1)OC1(c4cc5ccccc5cc4C(=O)c4cc5ccccc5cc41)[C@@H](C2)C3=O ZINC000587448140 JK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@]2(C)C=CC(=O)C=C12 ZINC000587448143 JK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@]2(C)C=CC(=O)C=C12 ZINC000587448148 JK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)([C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587448561 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)([C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587448562 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)([C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587448563 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587448564 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448614 JK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448615 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587448643 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587448645 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]41)[C@@H](C2)C3=O ZINC000587448844 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]41)[C@@H](C2)C3=O ZINC000587448845 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ccccn1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587448957 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ccccn1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587448959 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448978 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448985 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccccc4Br)nc1C)[C@@H](C2)C3=O ZINC000587449046 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccccc4Br)nc1C)[C@@H](C2)C3=O ZINC000587449048 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587449051 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587449054 JK Annotated Bother COc1cc2c3c(c1)O[C@@](CSc1nc(-c4ccccc4)cs1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587449086 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nc(-c4ccccc4)cs1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587449091 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1(CC(=O)O)CCCCC1)(c1ccc(Cl)s1)[C@@H](C2)C3=O ZINC000587449100 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1(CC(=O)O)CCCCC1)(c1ccc(Cl)s1)[C@@H](C2)C3=O ZINC000587449102 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587449130 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587449131 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1sc(Sc4nc5ccccc5o4)nc1Cl)[C@@H](C2)C3=O ZINC000587449156 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Sc4nc5ccccc5o4)nc1Cl)[C@@H](C2)C3=O ZINC000587449159 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(SCc4ccc(Cl)c(Cl)c4)n1C)[C@@H](C2)C3=O ZINC000587449200 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(SCc4ccc(Cl)c(Cl)c4)n1C)[C@@H](C2)C3=O ZINC000587449201 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Sc4c(Cl)cccc4Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587449210 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Sc4c(Cl)cccc4Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587449217 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)CC2=O ZINC000587449358 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(C(Br)Br)CC2=O ZINC000587449368 JK Annotated Reactive COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449414 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449424 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449428 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449431 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CSc1nc4cc(Cl)c5cccnc5c4o1)[C@@H](C2)C3=O ZINC000587449605 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CSc1nc4cc(Cl)c5cccnc5c4o1)[C@@H](C2)C3=O ZINC000587449608 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Br)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587449825 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Br)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587449826 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(OCc5ccccc5)cc4)n1)[C@@H](C2)C3=O ZINC000587449842 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(OCc5ccccc5)cc4)n1)[C@@H](C2)C3=O ZINC000587449844 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Sc4ccc(Cl)cc4)o1)[C@@H](C2)C3=O ZINC000587449870 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Sc4ccc(Cl)cc4)o1)[C@@H](C2)C3=O ZINC000587449871 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)CC2=O ZINC000587449949 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)CC2=O ZINC000587449950 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)CC2=O ZINC000587449951 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)CC2=O ZINC000587449952 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1sc4ccc(Cl)cc4c1C)[C@@H](C2)C3=O ZINC000587449998 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1sc4ccc(Cl)cc4c1C)[C@@H](C2)C3=O ZINC000587449999 JK Annotated Reactive CCC([C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587450167 JK Annotated Unstable COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CSc4nc5ccccc5s4)c1)[C@@H](C2)C3=O ZINC000587450174 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(OCc5ccccc5)cc4)cs1)[C@@H](C2)C3=O ZINC000587450176 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(OCc5ccccc5)cc4)cs1)[C@@H](C2)C3=O ZINC000587450178 JK Annotated Anodyne CCC([C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587450180 JK Annotated Unstable COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cc(Br)sc1N)[C@@H](C2)C3=O ZINC000587450370 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cc(Br)sc1N)[C@@H](C2)C3=O ZINC000587450372 JK Annotated Anodyne COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587450416 JK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587450417 JK Annotated Mild CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450468 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450474 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CSc4nc5ccccc5s4)c1)[C@@H](C2)C3=O ZINC000587450488 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(SCc4ccc(Cl)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587450489 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(SCc4ccc(Cl)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587450504 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587450512 JK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587450514 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587450601 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587450603 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587450605 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587450606 JK Annotated Reactive COc1cc2c3c(c1)O[C@]1(C=C(c4ccc(OC)c(OC)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587450742 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccc(OC)c(OC)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587450743 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O ZINC000587450775 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O ZINC000587450779 JK Annotated Bother COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O ZINC000587450782 JK Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O ZINC000587450784 JK Annotated Bother COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CCC6=C(CCC7(C6)OCCO7)C5=CC[C@@]41C)[C@@H](C2)C3=O ZINC000587450951 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CCC6=C(CCC7(C6)OCCO7)C5=CC[C@@]41C)[C@@H](C2)C3=O ZINC000587450961 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc4c(CSc5ncccn5)cc(Cl)cc4c1=O)[C@@H](C2)C3=O ZINC000587450986 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc4c(CSc5ncccn5)cc(Cl)cc4c1=O)[C@@H](C2)C3=O ZINC000587450987 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn(C)c1Sc1ccccc1)[C@@H](C2)C3=O ZINC000587451089 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn(C)c1Sc1ccccc1)[C@@H](C2)C3=O ZINC000587451090 JK Annotated Anodyne COc1cc2c3c(c1)OC(c1nc4ccccc4s1)(c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587451246 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@]45CC[C@H]6[C@@](C)(CCC[C@@]6(C)C(=O)O)[C@@H]4CC[C@@]1(C)C5)[C@@H](C2)C3=O ZINC000587451249 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@]45CC[C@H]6[C@@](C)(CCC[C@@]6(C)C(=O)O)[C@@H]4CC[C@@]1(C)C5)[C@@H](C2)C3=O ZINC000587451255 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587451285 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587451286 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)(c1ccc(OCC(=O)O)c(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587451293 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccs1)(c1ccc(OCC(=O)O)c(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587451294 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1=S=C(c4ccc(-c5ccc(C=O)s5)s4)C=C1)[C@@H](C2)C3=O ZINC000587451380 JK Annotated Clean COc1cc2c3c(c1)O[C@H](C1=S=C(c4ccc(-c5ccc(C=O)s5)s4)C=C1)[C@@H](C2)C3=O ZINC000587451385 JK Annotated Clean COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cnc(-c4ccc(Cl)cc4)s1)[C@@H](C2)C3=O ZINC000587451394 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cnc(-c4ccc(Cl)cc4)s1)[C@@H](C2)C3=O ZINC000587451396 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cnc(-c4ccc(Cl)cc4)s1)[C@@H](C2)C3=O ZINC000587451397 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cnc(-c4ccc(Cl)cc4)s1)[C@@H](C2)C3=O ZINC000587451398 JK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cs1 ZINC000587451410 JK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cs1 ZINC000587451413 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(N(C(=O)c4ccccc4Cl)C4CC4)nc1C)[C@@H](C2)C3=O ZINC000587451470 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(N(C(=O)c4ccccc4Cl)C4CC4)nc1C)[C@@H](C2)C3=O ZINC000587451475 JK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587451528 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(CSc4ccc(Cl)cc4)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587451613 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(CSc4ccc(Cl)cc4)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587451614 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccnc(SC)n1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587451637 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccnc(SC)n1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587451638 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Sc4ccc(C)cc4)o1)[C@@H](C2)C3=O ZINC000587451641 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Sc4ccc(C)cc4)o1)[C@@H](C2)C3=O ZINC000587451642 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Sc4ccccn4)c([N+](=O)[O-])c1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587451649 JK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Sc4ccccn4)c([N+](=O)[O-])c1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587451650 JK Annotated Bother COc1ccc(Sc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(-c3ccccc3)nn2C)cc1 ZINC000587451655 JK Annotated Anodyne COc1ccc(Sc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(-c3ccccc3)nn2C)cc1 ZINC000587451656 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587451776 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587451779 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587451877 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587451880 JK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587451887 JK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587451891 JK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587451902 JK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587451904 JK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587451906 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4cc(Br)ccc4o1)(c1cccs1)[C@@H](C2)C3=O ZINC000587452038 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4cc(Br)ccc4o1)(c1cccs1)[C@@H](C2)C3=O ZINC000587452044 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Oc4ccc(-c5ccccc5)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587452068 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)s4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587452071 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)s4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587452073 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccc(-c5ccccc5)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587452077 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(CC#N)s1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587452149 JK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(CC#N)s1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587452155 JK Annotated Mild CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587452167 JK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587452170 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4OCc4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587452213 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4OCc4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587452215 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587452236 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587452241 JK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(SCC(=O)O)c5cccc1c45)[C@@H](C2)C3=O ZINC000587452263 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(SCC(=O)O)c5cccc1c45)[C@@H](C2)C3=O ZINC000587452267 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587452340 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587452342 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccccc5Br)sc41)[C@@H](C2)C3=O ZINC000587452363 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccccc5Br)sc41)[C@@H](C2)C3=O ZINC000587452367 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccc(Br)cc5)sc41)[C@@H](C2)C3=O ZINC000587452406 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccc(Br)cc5)sc41)[C@@H](C2)C3=O ZINC000587452407 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCCc1ccc(O)cc1)(CCc1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452451 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCc1ccc(O)cc1)(CCc1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452453 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1Br)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587452537 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1Br)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587452538 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nnc(-c4ccco4)o1)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587452774 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1nnc(-c4ccco4)o1)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587452786 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Sc4ccccc4Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587452789 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Sc4ccccc4Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587452790 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn(C)c1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587452877 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn(C)c1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587452881 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(Cl)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587452884 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c(Cl)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587452888 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@]1(O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587452926 JK Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@]1(O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587452931 JK Annotated Mild COc1cc2c3c(c1)O[C@@H](C(C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587452961 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CC[C@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587452966 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587452968 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](c1ccccc1)c1ccccc1O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452971 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](c1ccccc1)c1ccccc1O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452973 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](c1ccccc1)c1ccccc1O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452975 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](c1ccccc1)c1ccccc1O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452977 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CC[C@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587452991 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CC[C@@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587452994 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CC[C@@H](C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587452995 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCC(C)(C)C4)[C@@H](C2)C3=O ZINC000587453031 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCC(C)(C)C4)[C@@H](C2)C3=O ZINC000587453040 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)nc4sccn14)[C@@H](C2)C3=O ZINC000587453054 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)nc4sccn14)[C@@H](C2)C3=O ZINC000587453055 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587453291 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587453293 JK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(O)cc(Sc4ccccc4OC)cc1Cl)[C@@H](C2)C3=O ZINC000587453303 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)cc(Sc4ccccc4OC)cc1Cl)[C@@H](C2)C3=O ZINC000587453310 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(SCc4ccccc4)ncn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587453385 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(SCc4ccccc4)ncn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587453391 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C(=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587453456 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C(=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587453459 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587453471 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587453485 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(Cl)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453570 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(Cl)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453577 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)c(Cl)c4)nc4sccn14)[C@@H](C2)C3=O ZINC000587453591 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)c(Cl)c4)nc4sccn14)[C@@H](C2)C3=O ZINC000587453595 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(ccc5c4CCCC5(C)C)C4=C1[C@@H](C)CO4)[C@@H](C2)C3=O ZINC000587453630 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(ccc5c4CCCC5(C)C)C4=C1[C@@H](C)CO4)[C@@H](C2)C3=O ZINC000587453636 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccc(Br)cc4)nc1C)[C@@H](C2)C3=O ZINC000587453692 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccc(Br)cc4)nc1C)[C@@H](C2)C3=O ZINC000587453693 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(N(C(=O)c4ccc(C)cc4)C4CC4)nc1C)[C@@H](C2)C3=O ZINC000587453809 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(N(C(=O)c4ccc(C)cc4)C4CC4)nc1C)[C@@H](C2)C3=O ZINC000587453812 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(OC)c1OC)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587453887 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(OC)c1OC)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587453890 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453891 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453892 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(OC)c1OC)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587453893 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(OC)c1OC)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587453896 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSCC(=O)Nc1ccccc1Cl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454032 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSCC(=O)Nc1ccccc1Cl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454034 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1nc(C)c(C)[nH]1)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587454130 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nc(C)c(C)[nH]1)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587454136 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1Sc1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454146 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1Sc1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454148 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(SC)c4)c1C)[C@@H](C2)C3=O ZINC000587454281 JK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(SC)c4)c1C)[C@@H](C2)C3=O ZINC000587454287 JK Annotated Reactive COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc4c(c1)Nc1ccccc1S4)[C@@H](C2)C3=O ZINC000587454290 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc4c(c1)Nc1ccccc1S4)[C@@H](C2)C3=O ZINC000587454298 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc4c(c1)Nc1ccccc1S4)[C@@H](C2)C3=O ZINC000587454303 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc4c(c1)Nc1ccccc1S4)[C@@H](C2)C3=O ZINC000587454306 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454348 JK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454351 JK Annotated Bother CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454369 JK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454371 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@H](Br)CC)CC2=O ZINC000587454382 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@H](Br)CC)CC2=O ZINC000587454383 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@@H](Br)CC)CC2=O ZINC000587454384 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@@H](Br)CC)CC2=O ZINC000587454386 JK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(OC)cccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587454453 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587454454 JK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454455 JK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454456 JK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl ZINC000587454467 JK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl ZINC000587454468 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Sc4ccc(Cl)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587454469 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Sc4ccc(Cl)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587454470 JK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587454475 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587454476 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4cc([C@H](C)C(=O)O)ccc4Sc4ccccc41)[C@@H](C2)C3=O ZINC000587454517 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4cc([C@@H](C)C(=O)O)ccc4Sc4ccccc41)[C@@H](C2)C3=O ZINC000587454518 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(Cc4cc([C@@H](C)C(=O)O)ccc4Sc4ccccc41)[C@@H](C2)C3=O ZINC000587454519 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(Cc4cc([C@H](C)C(=O)O)ccc4Sc4ccccc41)[C@@H](C2)C3=O ZINC000587454520 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454588 JK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454589 JK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455129 JK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455130 JK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455131 JK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455132 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3)c(Br)c1)CC2=O ZINC000587455330 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3)c(Br)c1)CC2=O ZINC000587455334 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)cc(Br)c1O)CC2=O ZINC000587455361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)cc(Br)c1O)CC2=O ZINC000587455362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1)CC2=O ZINC000587455373 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1)CC2=O ZINC000587455374 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(Br)c1OCC(=O)OCC)CC2=O ZINC000587455375 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(Br)c1OCC(=O)OCC)CC2=O ZINC000587455376 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587455393 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587455394 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(c1ccc(OC)cc1Br)CC2=O ZINC000587455407 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(c1ccc(OC)cc1Br)CC2=O ZINC000587455408 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr ZINC000587455411 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr ZINC000587455412 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr ZINC000587455413 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr ZINC000587455414 JK Annotated Reactive COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455467 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455468 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cnn(-c3ccccc3)c1C)CC2=O ZINC000587455539 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cnn(-c3ccccc3)c1C)CC2=O ZINC000587455550 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CBr)ccc21 ZINC000587455551 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CBr)ccc21 ZINC000587455552 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1Br)CC2=O ZINC000587455563 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1Br)CC2=O ZINC000587455564 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587455565 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587455566 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587455567 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(=O)C(C)(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587455568 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)CC2=O ZINC000587455581 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)CC2=O ZINC000587455582 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1Br)([C@H](C)Br)CC2=O ZINC000587455589 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1Br)([C@@H](C)Br)CC2=O ZINC000587455590 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1Br)([C@@H](C)Br)CC2=O ZINC000587455591 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1Br)([C@H](C)Br)CC2=O ZINC000587455592 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(CBr)cc1)CC2=O ZINC000587455743 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(CBr)cc1)CC2=O ZINC000587455748 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)c(OC)cc1Br)CC2=O ZINC000587455749 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)c(OC)cc1Br)CC2=O ZINC000587455753 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)c(Br)c1)CC2=O ZINC000587455776 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)c(Br)c1)CC2=O ZINC000587455777 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Br)ccc1OC)CC2=O ZINC000587455813 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Br)ccc1OC)CC2=O ZINC000587455814 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2=O ZINC000587455858 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2=O ZINC000587455861 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O ZINC000587455868 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O ZINC000587455871 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)CC2=O ZINC000587455884 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)CC2=O ZINC000587455886 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587455904 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587455909 JK Annotated Reactive CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455953 JK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455954 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)c(OC)cc1Cl)CC2=O ZINC000587455982 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)c(OC)cc1Cl)CC2=O ZINC000587455984 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C3CCCCC3)cc1)CC2=O ZINC000587456044 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C3CCCCC3)cc1)CC2=O ZINC000587456045 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(OCc3ccccc3)c1)CC2=O ZINC000587456046 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(OCc3ccccc3)c1)CC2=O ZINC000587456047 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CBr)cc21 ZINC000587456048 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CBr)cc21 ZINC000587456049 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)CC2=O ZINC000587456052 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)CC2=O ZINC000587456053 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)CC2=O ZINC000587456054 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)CC2=O ZINC000587456055 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587456062 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587456063 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCCCC3)cc1)CC2=O ZINC000587456074 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCCCC3)cc1)CC2=O ZINC000587456075 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(Br)c1OCC)CC2=O ZINC000587456100 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(Br)c1OCC)CC2=O ZINC000587456101 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3C#N)c(Br)c1)CC2=O ZINC000587456117 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3C#N)c(Br)c1)CC2=O ZINC000587456118 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O)c(Cl)c1Br)CC2=O ZINC000587456131 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O)c(Cl)c1Br)CC2=O ZINC000587456135 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)c(Br)c1O)CC2=O ZINC000587456228 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)c(Br)c1O)CC2=O ZINC000587456229 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OCc3ccccc3)c1)CC2=O ZINC000587456240 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OCc3ccccc3)c1)CC2=O ZINC000587456241 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587456292 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587456293 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(Br)c1)CC2=O ZINC000587456302 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(Br)c1)CC2=O ZINC000587456303 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)CC2=O ZINC000587456316 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)CC2=O ZINC000587456317 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CBr)[C@@]2(C)CBr ZINC000587456322 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CBr)[C@@]2(C)CBr ZINC000587456323 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(CBr)cc1)CC2=O ZINC000587456324 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(CBr)cc1)CC2=O ZINC000587456325 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(Br)c1)CC2=O ZINC000587456326 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(Br)c1)CC2=O ZINC000587456349 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1C)(c1ccc(OC)cc1Br)CC2=O ZINC000587456361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1C)(c1ccc(OC)cc1Br)CC2=O ZINC000587456363 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(CC)cc([N+](=O)[O-])c1OC)CC2=O ZINC000587456365 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(CC)cc([N+](=O)[O-])c1OC)CC2=O ZINC000587456367 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(C)cc(C)cc1Br)CC2=O ZINC000587456379 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(C)cc(C)cc1Br)CC2=O ZINC000587456383 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)c(C)cc1OC)CC2=O ZINC000587456391 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)c(C)cc1OC)CC2=O ZINC000587456393 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(Br)c1N)CC2=O ZINC000587456416 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(Br)c1N)CC2=O ZINC000587456419 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC ZINC000587456443 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC ZINC000587456445 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cc(C)cc(C)c3)c(Br)c1)CC2=O ZINC000587456490 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cc(C)cc(C)c3)c(Br)c1)CC2=O ZINC000587456491 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccc(OC)cc1Br)CC2=O ZINC000587456493 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccc(OC)cc1Br)CC2=O ZINC000587456495 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc(Br)c1N)CC2=O ZINC000587456497 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc(Br)c1N)CC2=O ZINC000587456499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-n3cnc(C)c3)cc1)CC2=O ZINC000587456504 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-n3cnc(C)c3)cc1)CC2=O ZINC000587456505 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(Br)c1O)CC2=O ZINC000587456530 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(Br)c1O)CC2=O ZINC000587456531 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCc3ccccn3)c(OC)c1)CC2=O ZINC000587456534 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCc3ccccn3)c(OC)c1)CC2=O ZINC000587456535 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(c1ccccc1Br)CC2=O ZINC000587456540 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(c1ccccc1Br)CC2=O ZINC000587456541 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)CC2=O ZINC000587456544 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)CC2=O ZINC000587456545 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)CC2=O ZINC000587456546 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)CC2=O ZINC000587456547 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)c(N)c(Cl)c1)CC2=O ZINC000587456558 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)c(N)c(Cl)c1)CC2=O ZINC000587456559 JK Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](Br)CCCCC[C@@H]1Br ZINC000587456596 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H](C)Br)CC2=O ZINC000587456597 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H](C)Br)CC2=O ZINC000587456598 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H](C)Br)CC2=O ZINC000587456599 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H](C)Br)CC2=O ZINC000587456600 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)CC2=O ZINC000587456615 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)([C@H](C)Br)CC2=O ZINC000587456616 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)CC2=O ZINC000587456617 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)([C@@H](C)Br)CC2=O ZINC000587456618 JK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4c5c(cc(OC)c41)OC(C)(C)C=C5)[C@@H](C2)C3=O ZINC000587456631 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4c5c(cc(OC)c41)OC(C)(C)C=C5)[C@@H](C2)C3=O ZINC000587456632 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccccc1N)CC2=O ZINC000587456719 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccccc1N)CC2=O ZINC000587456721 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Br)cc3)nc1C(C)C)CC2=O ZINC000587456728 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Br)cc3)nc1C(C)C)CC2=O ZINC000587456741 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccccc3Br)c1)CC2=O ZINC000587456762 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccccc3Br)c1)CC2=O ZINC000587456764 JK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(C)coc4-c4ccc5c(c41)CCCC5(C)C)[C@@H](C2)C3=O ZINC000587456774 JK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(C)coc4-c4ccc5c(c41)CCCC5(C)C)[C@@H](C2)C3=O ZINC000587456775 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc(Br)cc3)c1)CC2=O ZINC000587456790 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc(Br)cc3)c1)CC2=O ZINC000587456793 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccc(Br)cc2)c2ccccc21 ZINC000587456807 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccc(Br)cc2)c2ccccc21 ZINC000587456808 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(N)ccc2-c2ccc(Br)cc21 ZINC000587456809 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(N)ccc2-c2ccc(Br)cc21 ZINC000587456810 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCC(=O)OCC)CC2=O ZINC000587456817 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCC(=O)OCC)CC2=O ZINC000587456818 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(Br)cc3)cc1)CC2=O ZINC000587456819 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(Br)cc3)cc1)CC2=O ZINC000587456820 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587456825 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587456828 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)CC2=O ZINC000587456842 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(CBr)c1)CC2=O ZINC000587456847 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(CBr)c1)CC2=O ZINC000587456848 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)CC2=O ZINC000587456854 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587456872 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587456873 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3c(CCl)cc(Br)cc3c1=O)CC2=O ZINC000587456900 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1coc3c(CCl)cc(Br)cc3c1=O)CC2=O ZINC000587456907 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1C)(c1cc(Br)ccc1OC)CC2=O ZINC000587456916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1C)(c1cc(Br)ccc1OC)CC2=O ZINC000587456918 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OC(C)=O)cc1Br)CC2=O ZINC000587456921 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C)CC(=O)O)(c1ccc(Br)cc1)CC2=O ZINC000587456927 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OC(C)=O)cc1Br)CC2=O ZINC000587456928 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)CC(=O)O)(c1ccc(Br)cc1)CC2=O ZINC000587456929 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCc3ccccc3)cc1Br)CC2=O ZINC000587456930 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C)CC(=O)O)(c1ccc(Br)cc1)CC2=O ZINC000587456931 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCc3ccccc3)cc1Br)CC2=O ZINC000587456932 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C)CC(=O)O)(c1ccc(Br)cc1)CC2=O ZINC000587456933 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)cc(Cl)c1OC)CC2=O ZINC000587456955 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)cc(Cl)c1OC)CC2=O ZINC000587456958 JK Annotated Reactive CCCCOc1c(Br)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587457054 JK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587457057 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2CC12CCOCC2 ZINC000587457058 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2CC12CCOCC2 ZINC000587457061 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)c(OC)cc(Br)c1Br)CC2=O ZINC000587457075 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)c(OC)cc(Br)c1Br)CC2=O ZINC000587457078 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3-c1cccc(Br)c1)CC2=O ZINC000587457099 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3-c1cccc(Br)c1)CC2=O ZINC000587457103 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCC1(C)COC1)CC2=O ZINC000587457114 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCC1(C)COC1)CC2=O ZINC000587457115 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(Br)c1OC)CC2=O ZINC000587457186 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(Br)c1OC)CC2=O ZINC000587457187 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1oc3ccccc3c1CBr)CC2=O ZINC000587457196 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1oc3ccccc3c1CBr)CC2=O ZINC000587457197 JK Annotated Reactive C=CCOc1c(Br)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC ZINC000587457198 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC ZINC000587457199 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1ccc(C)cc1)CC2=O ZINC000587457220 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1ccc(C)cc1)CC2=O ZINC000587457222 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2-c2cc(Br)ccc21 ZINC000587457224 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(Br)c1)CC2=O ZINC000587457227 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(Br)c1)CC2=O ZINC000587457228 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)CC2=O ZINC000587457229 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)CC2=O ZINC000587457230 JK Annotated Reactive CCCOc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587457233 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2-c2cc(Br)ccc21 ZINC000587457234 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc(Br)cc1)CC2=O ZINC000587457235 JK Annotated Mild CCCOc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587457236 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc(Br)cc1)CC2=O ZINC000587457238 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1ccccn1)CC2=O ZINC000587457239 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1ccccn1)CC2=O ZINC000587457240 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccccc3Br)o1)CC2=O ZINC000587457241 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccccc3Br)o1)CC2=O ZINC000587457242 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587457251 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587457253 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587457255 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587457256 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)CC2=O ZINC000587457259 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)CC2=O ZINC000587457262 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1cccc(Br)c1)CC2=O ZINC000587457266 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1cccc(Br)c1)CC2=O ZINC000587457267 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587457292 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587457293 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1ccccc1)CC2=O ZINC000587457295 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1ccccc1)CC2=O ZINC000587457297 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(Br)cc1)CC2=O ZINC000587457308 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(Br)cc1)CC2=O ZINC000587457310 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCC1OCCCO1)CC2=O ZINC000587457322 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCC1OCCCO1)CC2=O ZINC000587457325 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)CC2=O ZINC000587457342 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)CC2=O ZINC000587457345 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)cc(O)n3C)([C@H](C)Br)CC2=O ZINC000587457348 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(Br)ccc1N)(c1ccccc1Cl)CC2=O ZINC000587457349 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)cc(O)n3C)([C@@H](C)Br)CC2=O ZINC000587457350 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(Br)ccc1N)(c1ccccc1Cl)CC2=O ZINC000587457351 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccccc1C)CC2=O ZINC000587457353 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccccc1C)CC2=O ZINC000587457355 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)nc3ncccn13)CC2=O ZINC000587457360 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)nc3ncccn13)CC2=O ZINC000587457361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(Br)cc31)CC2=O ZINC000587457362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(Br)cc31)CC2=O ZINC000587457363 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)nc3c(C)cccn13)CC2=O ZINC000587457380 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)nc3c(C)cccn13)CC2=O ZINC000587457381 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)CC2=O ZINC000587457394 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)C(C)(C)CCC3(C)C)CC2=O ZINC000587457395 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)CC2=O ZINC000587457396 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)CC2=O ZINC000587457397 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(O)c(Br)c1)CC2=O ZINC000587457401 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(O)c(Br)c1)CC2=O ZINC000587457402 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1c(-c3ccccc3)noc1C)CC2=O ZINC000587457413 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(-c3ccccc3)noc1C)CC2=O ZINC000587457414 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3cc(OC)ccc3c1)CC2=O ZINC000587457421 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3cc(OC)ccc3c1)CC2=O ZINC000587457422 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)CC2=O ZINC000587457425 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCc3ccccc3)cc1)([C@@H](C)Br)CC2=O ZINC000587457426 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)CC2=O ZINC000587457427 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCc3ccccc3)cc1)([C@H](C)Br)CC2=O ZINC000587457428 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457457 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457458 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc(Br)c3)nc3ccccn13)CC2=O ZINC000587457475 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc(Br)c3)nc3ccccn13)CC2=O ZINC000587457476 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1ccc(Br)cc1)CC2=O ZINC000587457485 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1ccc(Br)cc1)CC2=O ZINC000587457486 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Br)ccc1O)CC2=O ZINC000587457489 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Br)ccc1O)CC2=O ZINC000587457490 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3cccc(Br)c3)cc1)CC2=O ZINC000587457497 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3cccc(Br)c3)cc1)CC2=O ZINC000587457498 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2cc(Br)ccc21 ZINC000587457511 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2cc(Br)ccc21 ZINC000587457512 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587457513 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587457514 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Br)ccc1O)(c1ccccc1Cl)CC2=O ZINC000587457527 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Br)ccc1O)(c1ccccc1Cl)CC2=O ZINC000587457528 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457531 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457532 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3cccc(Br)c3)c1)CC2=O ZINC000587457549 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3cccc(Br)c3)c1)CC2=O ZINC000587457550 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1cccc(Br)c1)CC2=O ZINC000587457551 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1cccc(Br)c1)CC2=O ZINC000587457552 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)nc3ccccn13)CC2=O ZINC000587457563 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)nc3ccccn13)CC2=O ZINC000587457564 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1cccc(C)c1)CC2=O ZINC000587457607 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1cccc(C)c1)CC2=O ZINC000587457608 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(Br)cc1)CC2=O ZINC000587457619 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(Br)cc1)CC2=O ZINC000587457620 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457631 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457632 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587457633 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587457634 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccc(Br)cc3)cnc1Cl)CC2=O ZINC000587457650 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccc(Br)cc3)cnc1Cl)CC2=O ZINC000587457651 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)CC2=O ZINC000587457679 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)Cl)CC2=O ZINC000587457680 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccc(Br)cc3c1C(=O)O)CC2=O ZINC000587457685 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccc(Br)cc3c1C(=O)O)CC2=O ZINC000587457686 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc3cc(Br)cc(C)c3o1)(C(C)C)CC2=O ZINC000587457715 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc3cc(Br)cc(C)c3o1)(C(C)C)CC2=O ZINC000587457716 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(Br)cn3)c1)CC2=O ZINC000587457717 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(Br)cn3)c1)CC2=O ZINC000587457718 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](Cl)c1ccc(OC)cc1)CC2=O ZINC000587457745 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](Cl)c1ccc(OC)cc1)CC2=O ZINC000587457746 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](Cl)c1ccc(OC)cc1)CC2=O ZINC000587457747 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](Cl)c1ccc(OC)cc1)CC2=O ZINC000587457748 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587457773 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587457774 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1ccc(Br)cc1)CC2=O ZINC000587457781 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1ccc(Br)cc1)CC2=O ZINC000587457782 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc(Br)c1)CC2=O ZINC000587457783 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc(Br)c1)CC2=O ZINC000587457784 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Br)ccc1NC)CC2=O ZINC000587457791 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Br)ccc1NC)CC2=O ZINC000587457792 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3Br)c1C)CC2=O ZINC000587457797 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3Br)c1C)CC2=O ZINC000587457798 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(Br)cc3)cc1)CC2=O ZINC000587457799 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(Br)cc3)cc1)CC2=O ZINC000587457800 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Br)cc3Cl)o1)CC2=O ZINC000587457823 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(Br)c(OC)ccc3c1)CC2=O ZINC000587457824 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Br)cc3Cl)o1)CC2=O ZINC000587457825 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cccc(Br)c1)CC2=O ZINC000587457826 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cccc(Br)c1)CC2=O ZINC000587457827 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(Br)c(OC)ccc3c1)CC2=O ZINC000587457829 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(Br)cc3)cc1)CC2=O ZINC000587457846 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(Br)cc3)cc1)CC2=O ZINC000587457847 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnn1Cc1ccc(Cl)cc1)CC2=O ZINC000587457849 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnn1Cc1ccc(Cl)cc1)CC2=O ZINC000587457851 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587457870 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587457872 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Br)cc3)o1)CC2=O ZINC000587457877 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Br)cc3)o1)CC2=O ZINC000587457878 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(Br)cc(Br)cc31)CC2=O ZINC000587457885 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c(Br)cc(Br)cc31)CC2=O ZINC000587457886 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(=O)n(Cc3ccc(C)cc3)c1)CC2=O ZINC000587457893 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(=O)n(Cc3ccc(C)cc3)c1)CC2=O ZINC000587457894 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587457899 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587457900 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587457901 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587457902 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CCCCC1)CC2=O ZINC000587457929 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CCCCC1)CC2=O ZINC000587457930 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O ZINC000587457933 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O ZINC000587457934 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O ZINC000587457935 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1cccc(OC)c1)CC2=O ZINC000587457936 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 ZINC000587457939 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 ZINC000587457940 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 ZINC000587457941 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 ZINC000587457942 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cccc(Br)c1)CC2=O ZINC000587457974 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cccc(Br)c1)CC2=O ZINC000587457975 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2Oc2cc(O)cc(O)c21 ZINC000587457988 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc(Br)c3)c1)CC2=O ZINC000587457991 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc(Br)c3)c1)CC2=O ZINC000587457992 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2Oc2cc(O)cc(O)c21 ZINC000587457995 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(Br)c3cccc1c23 ZINC000587457998 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(Br)c3cccc1c23 ZINC000587458008 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Br)cc3)cc1)CC2=O ZINC000587458027 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Br)cc3)cc1)CC2=O ZINC000587458033 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)(c3ccc(Br)cc3)CC1)CC2=O ZINC000587458065 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1cc(C)c(OC)c(C)c1)CC2=O ZINC000587458086 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1cc(C)c(OC)c(C)c1)CC2=O ZINC000587458088 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587458093 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587458095 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cncc(Br)c1C)CC2=O ZINC000587458106 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cncc(Br)c1C)CC2=O ZINC000587458108 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(Br)cc21 ZINC000587458109 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(Br)cc21 ZINC000587458111 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 ZINC000587458134 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 ZINC000587458136 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 ZINC000587458139 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 ZINC000587458141 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Br)cc(Br)cc31)CC2=O ZINC000587458153 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Br)cc(Br)cc31)CC2=O ZINC000587458154 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(Br)c21 ZINC000587458253 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(Br)c21 ZINC000587458254 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(Br)c3)c3ccccc13)CC2=O ZINC000587458259 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(Br)c3)c3ccccc13)CC2=O ZINC000587458260 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Br)ccc21 ZINC000587458267 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Br)ccc21 ZINC000587458268 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587458285 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587458286 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C(CCl)(CCl)CCC1(CCl)CCl ZINC000587458312 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3c(Cl)cccc3Cl)c3ccccc13)CC2=O ZINC000587458321 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3c(Cl)cccc3Cl)c3ccccc13)CC2=O ZINC000587458326 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3nc(C)c(Br)c3C)cc1)CC2=O ZINC000587458339 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3nc(C)c(Br)c3C)cc1)CC2=O ZINC000587458340 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)O)(c3ccc(Br)cc3)CC1)CC2=O ZINC000587458352 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)CC2=O ZINC000587458357 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)(C)C)cc3)c1C)CC2=O ZINC000587458359 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccccc1Br)CC2=O ZINC000587458381 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccccc1Br)CC2=O ZINC000587458382 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1OCc1ccccc1)CC2=O ZINC000587458393 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1OCc1ccccc1)CC2=O ZINC000587458394 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCNc1ccc(C)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587458395 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCNc1ccc(C)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587458396 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587458397 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587458398 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OCc3ccccc3)cc1Cl)CC2=O ZINC000587458402 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OCc3ccccc3)cc1Cl)CC2=O ZINC000587458403 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587458424 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587458425 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3ccc(Br)o3)cc1)CC2=O ZINC000587458445 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3ccc(Br)o3)cc1)CC2=O ZINC000587458446 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 ZINC000587458447 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 ZINC000587458448 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 ZINC000587458449 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 ZINC000587458452 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3ncc(Br)cn3)c1)CC2=O ZINC000587458477 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3ncc(Br)cn3)c1)CC2=O ZINC000587458478 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccc(Br)cc3c1Cl)CC2=O ZINC000587458481 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccc(Br)cc3c1Cl)CC2=O ZINC000587458482 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nc3ccc(Br)cn13)CC2=O ZINC000587458483 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nc3ccc(Br)cn13)CC2=O ZINC000587458484 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 ZINC000587458487 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 ZINC000587458488 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 ZINC000587458489 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 ZINC000587458490 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587458529 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587458530 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nc3ccc(Br)cn13)CC2=O ZINC000587458556 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nc3ccc(Br)cn13)CC2=O ZINC000587458558 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)n1Cc1ccc(OC)cc1)CC2=O ZINC000587458560 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)n1Cc1ccc(OC)cc1)CC2=O ZINC000587458564 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O ZINC000587458565 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O ZINC000587458566 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1cccc(Cl)c1)CC2=O ZINC000587458599 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1cccc(Cl)c1)CC2=O ZINC000587458600 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587458612 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587458616 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Br)cc1CC)CC2=O ZINC000587458712 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Br)cc1CC)CC2=O ZINC000587458715 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(N)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587458720 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(N)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587458721 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)cc3c(C)cccn13)CC2=O ZINC000587458726 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)cc3c(C)cccn13)CC2=O ZINC000587458739 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2c(Cl)cc(Br)cc21 ZINC000587458742 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2c(Cl)cc(Br)cc21 ZINC000587458751 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2nnc(C)o2)=COc2ccc(Br)cc21 ZINC000587458765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)CC2=O ZINC000587458776 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2nnc(C)o2)=COc2ccc(Br)cc21 ZINC000587458781 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(NC(=O)c3ccccc3)c1C)CC2=O ZINC000587458782 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@H](C)c3ccccc3)c1C)CC2=O ZINC000587458786 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Br)ccc(NC)c21 ZINC000587458787 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Br)ccc(NC)c21 ZINC000587458791 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2ccc(Br)cc21 ZINC000587458795 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2ccc(Br)cc21 ZINC000587458801 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@H](C)c3ccccc3)c1C)CC2=O ZINC000587458803 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n([C@@H](C)c3ccccc3)c1C)CC2=O ZINC000587458805 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n([C@@H](C)c3ccccc3)c1C)CC2=O ZINC000587458808 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1c[nH]c3c(CC)cccc13)([C@H](Cl)c1ccccc1)CC2=O ZINC000587458816 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1c[nH]c3c(CC)cccc13)([C@@H](Cl)c1ccccc1)CC2=O ZINC000587458817 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3c(CC)cccc13)([C@@H](Cl)c1ccccc1)CC2=O ZINC000587458819 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc13)CC2=O ZINC000587458820 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3c(CC)cccc13)([C@H](Cl)c1ccccc1)CC2=O ZINC000587458823 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1C(F)(F)F)(C1CC1)CC2=O ZINC000587458824 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587458829 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc13)CC2=O ZINC000587458831 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587458834 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1C(F)(F)F)(C1CC1)CC2=O ZINC000587458835 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587458841 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587458845 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(OC)cc1)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587458848 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(OC)cc1)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587458861 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000587458869 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Br)cc3)cc1)CC2=O ZINC000587458872 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Br)cc3)cc1)CC2=O ZINC000587458877 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3ccc(C(=O)O)cc3c1Cl)CC2=O ZINC000587458887 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000587458889 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCc1ccccc1)CC2=O ZINC000587458890 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCc1ccccc1)CC2=O ZINC000587458892 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Br)cccc21 ZINC000587458894 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Br)cccc21 ZINC000587458897 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1ccc(Br)cc1)CC2=O ZINC000587458898 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1ccc(Br)cc1)CC2=O ZINC000587458900 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3ccc(C(=O)O)cc3c1Cl)CC2=O ZINC000587458901 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587458927 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587458928 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(Br)cc2-c2ccccc21 ZINC000587458935 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(Br)cc2-c2ccccc21 ZINC000587458939 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3ccc(Br)cc13)CC2=O ZINC000587458975 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3ccc(Br)cc13)CC2=O ZINC000587458983 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1ccc(C(=O)c3cncc(Br)c3)cc1)CC2=O ZINC000587458985 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1ccc(C(=O)c3cncc(Br)c3)cc1)CC2=O ZINC000587458986 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3cc(Br)ccc3c1)CC2=O ZINC000587458998 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3cc(Br)ccc3c1)CC2=O ZINC000587458999 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)(c3cccc(Br)c3)CC1)CC2=O ZINC000587459003 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc(Br)c3)[nH]c3ccccc13)CC2=O ZINC000587459011 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc(Br)c3)[nH]c3ccccc13)CC2=O ZINC000587459014 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(=O)O)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587459031 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C(=O)O)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587459039 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o1)CC2=O ZINC000587459061 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1Br)(c1ccc(C)cc1)CC2=O ZINC000587459070 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1Br)(c1ccc(C)cc1)CC2=O ZINC000587459072 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o1)CC2=O ZINC000587459073 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)c(OC)c3)nn3ccnc(Cl)c13)CC2=O ZINC000587459076 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)c(OC)c3)nn3ccnc(Cl)c13)CC2=O ZINC000587459084 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Br)cc(C)c(N)c21 ZINC000587459090 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3Cl)nc1-c1ccccc1)CC2=O ZINC000587459092 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3Cl)nc1-c1ccccc1)CC2=O ZINC000587459093 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Br)cc(C)c(N)c21 ZINC000587459094 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCOc3ccccc3Cl)c3ccccc13)CC2=O ZINC000587459096 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCOc3ccccc3Cl)c3ccccc13)CC2=O ZINC000587459101 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc(Cl)cc3Cl)cn1C)CC2=O ZINC000587459131 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccc(Cl)cc3Cl)cn1C)CC2=O ZINC000587459132 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587459133 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587459134 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)CC2=O ZINC000587459135 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)CC2=O ZINC000587459136 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccccc1Cl)(c1ccccc1Cl)CC2=O ZINC000587459141 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccccc1Cl)(c1ccccc1Cl)CC2=O ZINC000587459142 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1OCc1cccc(OC)c1)CC2=O ZINC000587459159 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1OCc1cccc(OC)c1)CC2=O ZINC000587459160 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@@H](C)Cl)CC2=O ZINC000587459244 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@H](C)Cl)CC2=O ZINC000587459246 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@@H](C)Cl)CC2=O ZINC000587459248 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@H](C)Cl)CC2=O ZINC000587459249 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]([C@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)CC2=O ZINC000587459266 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]([C@@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)CC2=O ZINC000587459269 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]([C@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)CC2=O ZINC000587459270 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]([C@@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)CC2=O ZINC000587459271 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1c(Cl)cccc1Cl)CC2=O ZINC000587459290 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1c(Cl)cccc1Cl)CC2=O ZINC000587459292 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O ZINC000587459309 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(Br)cc(Br)cc13)CC2=O ZINC000587459319 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(Br)cc(Br)cc13)CC2=O ZINC000587459320 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587459330 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587459332 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O ZINC000587459334 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)CC2=O ZINC000587459391 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)-c1cc(C(=O)CCl)ccc1C3)CC2=O ZINC000587459392 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587459399 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587459401 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cccc(Br)c3)o1)CC2=O ZINC000587459463 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cccc(Br)c3)o1)CC2=O ZINC000587459465 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Cl)c13)CC2=O ZINC000587459473 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Cl)c13)CC2=O ZINC000587459476 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Br)cc3)c(OC)c1)CC2=O ZINC000587459499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Br)cc3)c(OC)c1)CC2=O ZINC000587459500 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Br)cc1N)CC2=O ZINC000587459501 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Br)cc1N)CC2=O ZINC000587459504 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)[nH]c3ccccc13)CC2=O ZINC000587459520 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)[nH]c3ccccc13)CC2=O ZINC000587459523 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1)CC2=O ZINC000587459543 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1)CC2=O ZINC000587459545 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CNc1ccc(Br)cc1)(c1ccccc1)CC2=O ZINC000587459564 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNc1ccc(Br)cc1)(c1ccccc1)CC2=O ZINC000587459565 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Br)ccc1N)CC2=O ZINC000587459591 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Br)ccc1N)CC2=O ZINC000587459592 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1C(=O)N(CC)CC)CC2=O ZINC000587459621 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1C(=O)N(CC)CC)CC2=O ZINC000587459622 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(Br)c3)c1C)CC2=O ZINC000587459624 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(Br)c3)c1C)CC2=O ZINC000587459626 JK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 ZINC000587459660 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 ZINC000587459665 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccc(Cl)cc1)CC2=O ZINC000587459675 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccc(Cl)cc1)CC2=O ZINC000587459677 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587459685 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587459697 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587459725 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587459727 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)CC2=O ZINC000587459738 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)CC2=O ZINC000587459743 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C)c(Cl)c3C)c1)CC2=O ZINC000587459746 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C)c(Cl)c3C)c1)CC2=O ZINC000587459753 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCn1nc(C)c(Cl)c1C)(c1ccc(Cl)cc1)CC2=O ZINC000587459770 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCn1nc(C)c(Cl)c1C)(c1ccc(Cl)cc1)CC2=O ZINC000587459774 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1c(Br)c(C)n3-c1ccc(C)cc1)CC2=O ZINC000587459788 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1c(Br)c(C)n3-c1ccc(C)cc1)CC2=O ZINC000587459789 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C=O)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587459792 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C=O)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587459795 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccccc3Cl)c(OC)c1)CC2=O ZINC000587459802 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccccc3Cl)c(OC)c1)CC2=O ZINC000587459806 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCn1cccc1)CC2=O ZINC000587459831 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCn1cccc1)CC2=O ZINC000587459833 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587459857 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])CC2=O ZINC000587459866 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])CC2=O ZINC000587459870 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587459875 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1cccc(OC)c1)CC2=O ZINC000587459882 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1cccc(OC)c1)CC2=O ZINC000587459884 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1c(-c3ccccc3Cl)noc1C)CC2=O ZINC000587459887 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1c(-c3ccccc3Cl)noc1C)CC2=O ZINC000587459897 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1cccc(Br)c1)CC2=O ZINC000587459915 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1cccc(Br)c1)CC2=O ZINC000587459918 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(/C(Cl)=N/Nc1ccc(Br)cc1)CC2=O ZINC000587459925 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(/C(Cl)=N/Nc1ccc(Br)cc1)CC2=O ZINC000587459936 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(Cl)cccc3Cl)cc1)CC2=O ZINC000587459970 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)cc1)CC2=O ZINC000587459971 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2=O ZINC000587459978 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2=O ZINC000587459979 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCC3=CCCCC3)c1C)CC2=O ZINC000587459988 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCC3=CCCCC3)c1C)CC2=O ZINC000587459989 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC)cc3)c1C)CC2=O ZINC000587459996 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC)cc3)c1C)CC2=O ZINC000587459997 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1c(C)cc(C)cc1Cl)(c1ccccc1)CC2=O ZINC000587460036 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1c(C)cc(C)cc1Cl)(c1ccccc1)CC2=O ZINC000587460037 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587460069 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587460071 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccc(Cl)cc3)c3ccccc13)CC2=O ZINC000587460077 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccc(Cl)cc3)c3ccccc13)CC2=O ZINC000587460079 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cnc(Br)c3nc(C(C)(C)C)oc13)CC2=O ZINC000587460102 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Br)c3nc(C(C)(C)C)oc13)CC2=O ZINC000587460105 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Br)[nH]c(-c3ccncc3)c1C)CC2=O ZINC000587460159 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Br)[nH]c(-c3ccncc3)c1C)CC2=O ZINC000587460161 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)c(C)cc(Br)c21 ZINC000587460163 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)c(C)cc(Br)c21 ZINC000587460166 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H]1CCCC[C@H]1C(=O)O)(c1ccc(Cl)cc1)CC2=O ZINC000587460170 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H]1CCCC[C@H]1C(=O)O)(c1ccc(Cl)cc1)CC2=O ZINC000587460180 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)cc(Br)c31)CC2=O ZINC000587460192 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)cc(Br)c31)CC2=O ZINC000587460194 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)CC2=O ZINC000587460200 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)CC2=O ZINC000587460204 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(-c3ccc(Cl)cc3)o1)CC2=O ZINC000587460215 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(-c3ccc(Cl)cc3)o1)CC2=O ZINC000587460221 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)CC2=O ZINC000587460285 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)CC2=O ZINC000587460291 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)CC2=O ZINC000587460295 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)CC2=O ZINC000587460298 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)CC2=O ZINC000587460305 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)CC2=O ZINC000587460309 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)CC2=O ZINC000587460311 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)CC2=O ZINC000587460319 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1Oc1c(C)ccc(C)c1C)CC2=O ZINC000587460345 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1Oc1c(C)ccc(C)c1C)CC2=O ZINC000587460347 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3c(Cl)cccc3Cl)c1C)CC2=O ZINC000587460348 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3c(Cl)cccc3Cl)c1C)CC2=O ZINC000587460349 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O ZINC000587460352 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O ZINC000587460375 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cnccc1C)(c1cccc(C(F)(F)F)c1C)CC2=O ZINC000587460412 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)c(C)cc1O)(c1ccccc1Cl)CC2=O ZINC000587460418 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnccc1C)(c1cccc(C(F)(F)F)c1C)CC2=O ZINC000587460419 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460420 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(Cl)nc3)c3ccccc13)CC2=O ZINC000587460421 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)c(C)cc1O)(c1ccccc1Cl)CC2=O ZINC000587460423 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3ccc(Cl)nc3)c3ccccc13)CC2=O ZINC000587460424 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(Cl)c3)c1C)CC2=O ZINC000587460428 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(Cl)c3)c1C)CC2=O ZINC000587460429 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(OC)cc3)c1C)CC2=O ZINC000587460430 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(OC)cc3)c1C)CC2=O ZINC000587460440 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(Cl)c(C(=O)OC)c1)CC2=O ZINC000587460457 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(Cl)c(C(=O)OC)c1)CC2=O ZINC000587460459 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3c(Cl)cccc3c1Cl)CC2=O ZINC000587460460 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3c(Cl)cccc3c1Cl)CC2=O ZINC000587460463 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460488 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460489 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C(=O)OC)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587460500 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(=O)OC)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587460502 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3ncccn13)CC2=O ZINC000587460524 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3ncccn13)CC2=O ZINC000587460525 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)CC2=O ZINC000587460528 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)CC2=O ZINC000587460529 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)CC2=O ZINC000587460534 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)CC2=O ZINC000587460535 JK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(Br)c21 ZINC000587460543 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(Br)c21 ZINC000587460544 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ncc(Br)cn3)cc1)CC2=O ZINC000587460551 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ncc(Br)cn3)cc1)CC2=O ZINC000587460552 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460615 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460618 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O ZINC000587460623 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O ZINC000587460628 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)CC2=O ZINC000587460665 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(Cl)cc3)c1C)CC2=O ZINC000587460673 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C(CCl)OC=C1OCc1cccc(OC)c1)CC2=O ZINC000587460705 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C(CCl)OC=C1OCc1cccc(OC)c1)CC2=O ZINC000587460706 JK Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)c2c(Cl)cccc2C(=O)c2cccc(Cl)c21 ZINC000587460755 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)CC2=O ZINC000587460780 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)cccc1C(F)(F)F)CC2=O ZINC000587460782 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)cccc1C(F)(F)F)CC2=O ZINC000587460783 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)CC2=O ZINC000587460786 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587460788 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587460790 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587460796 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587460800 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O ZINC000587460819 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O ZINC000587460838 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)CC2=O ZINC000587460839 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)CC2=O ZINC000587460841 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O ZINC000587460842 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]([C@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)CC2=O ZINC000587460844 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]([C@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)CC2=O ZINC000587460845 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@]1(c1ccccc1Cl)N(C)C(=O)CCl)CC2=O ZINC000587460846 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(Cl)cc3)n(C)c3ccccc13)CC2=O ZINC000587460847 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(Cl)cc3)n(C)c3ccccc13)CC2=O ZINC000587460853 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1oc(-c3ccc(Cl)cc3)cc1C(=O)OCC)CC2=O ZINC000587460859 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1oc(-c3ccc(Cl)cc3)cc1C(=O)OCC)CC2=O ZINC000587460861 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)CC2=O ZINC000587460876 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587460882 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587460883 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)CC2=O ZINC000587460887 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587460918 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587460921 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)CC2=O ZINC000587460931 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)CC2=O ZINC000587460934 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)CC2=O ZINC000587460936 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)CC2=O ZINC000587460938 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)CC2=O ZINC000587460943 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1F)CC2=O ZINC000587460948 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)c(Cl)c3)cc1)CC2=O ZINC000587460952 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)c(Cl)c3)cc1)CC2=O ZINC000587460955 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCCO3)(c1ccccc1Cl)CC2=O ZINC000587460992 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCCO3)(c1ccccc1Cl)CC2=O ZINC000587460993 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc([N+](=O)[O-])c(Cl)c3C)c1)CC2=O ZINC000587460999 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc([N+](=O)[O-])c(Cl)c3C)c1)CC2=O ZINC000587461002 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C)c3cc(Br)c(OC)cc13)CC2=O ZINC000587461022 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C)c3cc(Br)c(OC)cc13)CC2=O ZINC000587461024 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(Br)n1)CC2=O ZINC000587461041 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(Br)n1)CC2=O ZINC000587461042 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)CC2=O ZINC000587461043 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccccc2Cl)=C(C)Oc2cc(O)ccc21 ZINC000587461049 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccccc2Cl)=C(C)Oc2cc(O)ccc21 ZINC000587461050 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)CC2=O ZINC000587461057 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1n(C)c1ccc(Br)cc31)CC2=O ZINC000587461059 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1n(C)c1ccc(Br)cc31)CC2=O ZINC000587461062 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)CC2=O ZINC000587461075 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)CC2=O ZINC000587461076 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O ZINC000587461085 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O ZINC000587461086 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O ZINC000587461087 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O ZINC000587461088 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(NC(=O)OC(C)(C)C)ncc1Br)CC2=O ZINC000587461107 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(NC(=O)OC(C)(C)C)ncc1Br)CC2=O ZINC000587461108 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(CCC(=O)O)=COc2ccc(Br)cc21 ZINC000587461116 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(CCC(=O)O)=COc2ccc(Br)cc21 ZINC000587461117 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnccc1C)(c1cncc(Br)c1C)CC2=O ZINC000587461132 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnccc1C)(c1cncc(Br)c1C)CC2=O ZINC000587461133 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@H](C)Cl)CC2=O ZINC000587461136 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@H](C)Cl)CC2=O ZINC000587461137 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@@H](C)Cl)CC2=O ZINC000587461138 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@@H](C)Cl)CC2=O ZINC000587461140 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O ZINC000587461146 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O ZINC000587461147 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(C)cc(C)c3)c1C)CC2=O ZINC000587461172 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(C)cc(C)c3)c1C)CC2=O ZINC000587461173 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2=O ZINC000587461178 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2=O ZINC000587461179 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1ccc(Cl)c(N)c1)CC2=O ZINC000587461186 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1ccc(Cl)c(N)c1)CC2=O ZINC000587461187 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)OC)CC2=O ZINC000587461198 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)OC)CC2=O ZINC000587461199 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O ZINC000587461209 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O ZINC000587461210 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OCc3ccccc3)c(OC)c1)CC2=O ZINC000587461225 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OCc3ccccc3)c(OC)c1)CC2=O ZINC000587461226 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCCCl)cc1)([C@@H](CC)c1ccccc1)CC2=O ZINC000587461245 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCCCl)cc1)([C@H](CC)c1ccccc1)CC2=O ZINC000587461249 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCCCl)cc1)([C@@H](CC)c1ccccc1)CC2=O ZINC000587461251 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCCCl)cc1)([C@H](CC)c1ccccc1)CC2=O ZINC000587461253 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)nc3ccc(Cl)cn13)CC2=O ZINC000587461288 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)nc3ccc(Cl)cn13)CC2=O ZINC000587461290 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cccc(Cl)c2C(=O)c2c(Cl)cccc21 ZINC000587461297 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587461302 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587461304 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)CC2=O ZINC000587461379 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)CC2=O ZINC000587461390 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccccc1OCOC)CC2=O ZINC000587461442 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccccc1OCOC)CC2=O ZINC000587461445 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccccc1Cl)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587461454 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccccc1Cl)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587461463 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccccc3Cl)c3ccccc13)CC2=O ZINC000587461478 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccccc3Cl)c3ccccc13)CC2=O ZINC000587461482 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(C=C(CO)OC=C1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587461499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CO)OC=C1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587461507 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(Cl)cc2Cl)=COc2cc(O)ccc21 ZINC000587461514 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(Cl)cc2Cl)=COc2cc(O)ccc21 ZINC000587461518 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)OC)c1ccc(Cl)cc1)(c1ccccc1)CC2=O ZINC000587461523 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)OC)c1ccc(Cl)cc1)(c1ccccc1)CC2=O ZINC000587461533 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(OC)c(OC)c1)(c1ccccc1Cl)CC2=O ZINC000587461534 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)OC)c1ccc(Cl)cc1)(c1ccccc1)CC2=O ZINC000587461536 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)cc3C(F)(F)F)s1)CC2=O ZINC000587461537 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(OC)c(OC)c1)(c1ccccc1Cl)CC2=O ZINC000587461538 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)OC)c1ccc(Cl)cc1)(c1ccccc1)CC2=O ZINC000587461539 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)cc3C(F)(F)F)s1)CC2=O ZINC000587461544 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCO3)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587461557 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCO3)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587461562 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1ccc(OC)cc1OC)CC2=O ZINC000587461566 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3c(Cl)cc(Cl)cc3Cl)o1)CC2=O ZINC000587461570 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1ccc(OC)cc1OC)CC2=O ZINC000587461571 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3C)nc3ccc(Cl)cn13)CC2=O ZINC000587461573 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3C)nc3ccc(Cl)cn13)CC2=O ZINC000587461577 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3c(Cl)cc(Cl)cc3Cl)o1)CC2=O ZINC000587461579 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c1)CC2=O ZINC000587461585 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1)CC2=O ZINC000587461590 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(OC)c(OC)c(OC)cc3nc1Cl)CC2=O ZINC000587461595 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c1)CC2=O ZINC000587461596 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1)CC2=O ZINC000587461598 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc13)CC2=O ZINC000587461600 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(OC)c(OC)c(OC)cc3nc1Cl)CC2=O ZINC000587461602 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc13)CC2=O ZINC000587461605 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Oc2c(Cl)cc(Cl)cc21 ZINC000587461646 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2c(Cl)cc(Cl)cc21 ZINC000587461655 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2c(Cl)cc(Cl)cc21 ZINC000587461659 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Oc2c(Cl)cc(Cl)cc21 ZINC000587461663 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587461682 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587461684 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O ZINC000587461690 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O ZINC000587461696 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccccc3)n(CC)c3ccccc13)CC2=O ZINC000587461697 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O ZINC000587461698 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccccc3)n(CC)c3ccccc13)CC2=O ZINC000587461699 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc3c(c1)OCO3)CC2=O ZINC000587461700 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])cc3Cl)c1)CC2=O ZINC000587461703 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])cc3Cl)c1)CC2=O ZINC000587461705 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccccc3)c1C)CC2=O ZINC000587461709 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccccc3)c1C)CC2=O ZINC000587461713 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cc(OCc3ccccc3)cc1Cl)CC2=O ZINC000587461719 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cc(OCc3ccccc3)cc1Cl)CC2=O ZINC000587461722 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)O)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587461723 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CC1)CC2=O ZINC000587461728 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)O)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587461729 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CC1)CC2=O ZINC000587461730 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC2=O ZINC000587461732 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC2=O ZINC000587461740 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587461759 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587461767 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587461768 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587461770 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O ZINC000587461771 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O ZINC000587461781 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)CC2=O ZINC000587461782 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCN3C(=O)c1ccccc1)CC2=O ZINC000587461786 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)CC2=O ZINC000587461787 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)CC2=O ZINC000587461788 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OCC)cc3)c1C)CC2=O ZINC000587461790 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OCC)cc3)c1C)CC2=O ZINC000587461794 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(Br)cc13)CC2=O ZINC000587461809 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(Br)cc13)CC2=O ZINC000587461810 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587461819 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587461820 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1C(F)(F)F)CC2=O ZINC000587461867 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1C(F)(F)F)CC2=O ZINC000587461868 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O ZINC000587461883 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O ZINC000587461884 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)CCCl)CC2=O ZINC000587461895 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCCl)CC2=O ZINC000587461896 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(C(C)(C)C(=O)OC)cc1)CC2=O ZINC000587461919 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(C(C)(C)C(=O)OC)cc1)CC2=O ZINC000587461922 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc(Cl)cc3)c1)CC2=O ZINC000587461933 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc(Cl)cc3)c1)CC2=O ZINC000587461935 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)CC2=O ZINC000587461961 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)CC2=O ZINC000587461966 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)c(C(=O)OC)c(C)n1C)CC2=O ZINC000587461983 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)c(C(=O)OC)c(C)n1C)CC2=O ZINC000587461987 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)CC2=O ZINC000587462003 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)CC2=O ZINC000587462005 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(Cl)c(C)c3)c1)CC2=O ZINC000587462032 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(Cl)c(C)c3)c1)CC2=O ZINC000587462035 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc3c(c1)CCC3)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587462039 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc3c(c1)CCC3)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587462054 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1C(F)(F)F)(C(C)(C)C)CC2=O ZINC000587462061 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(Cl)cc1)CC2=O ZINC000587462065 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000587462066 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(Cl)cc1)CC2=O ZINC000587462067 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000587462068 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1C(F)(F)F)(C(C)(C)C)CC2=O ZINC000587462070 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c1)CC2=O ZINC000587462081 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c1)CC2=O ZINC000587462083 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)CC2=O ZINC000587462106 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1F)CC2=O ZINC000587462108 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cccc(OCOC)c1)(c1ccccc1Cl)CC2=O ZINC000587462109 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OCOC)c1)(c1ccccc1Cl)CC2=O ZINC000587462113 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)CC2=O ZINC000587462117 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)CC2=O ZINC000587462121 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccccc2Cl)=C(C)Oc2c1ccc(O)c2C ZINC000587462123 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccccc2Cl)=C(C)Oc2c1ccc(O)c2C ZINC000587462127 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OCC(=O)O)cc1)CC2=O ZINC000587462140 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OCC(=O)O)cc1)CC2=O ZINC000587462142 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587462166 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587462173 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1ccccc1Cl)CC2=O ZINC000587462180 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1ccccc1Cl)CC2=O ZINC000587462182 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)CC2=O ZINC000587462185 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)CC2=O ZINC000587462188 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)(c1ccccc1Cl)CC2=O ZINC000587462203 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)(c1ccccc1Cl)CC2=O ZINC000587462205 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(Cl)c3)c(OCC)c1)CC2=O ZINC000587462225 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(Cl)c3)c(OCC)c1)CC2=O ZINC000587462228 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccccc3Cl)c3cc(Cl)ccc3n1)CC2=O ZINC000587462237 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccccc3Cl)c3cc(Cl)ccc3n1)CC2=O ZINC000587462238 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccccc3Cl)c(OC)c1)CC2=O ZINC000587462253 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3c(Cl)cccc3Cl)c1)CC2=O ZINC000587462256 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3c(Cl)cccc3Cl)c1)CC2=O ZINC000587462257 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)CC2=O ZINC000587462272 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)CC2=O ZINC000587462273 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)CC2=O ZINC000587462308 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)CC2=O ZINC000587462309 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)CC2=O ZINC000587462344 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)CC2=O ZINC000587462345 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O ZINC000587462406 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O ZINC000587462407 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587462433 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587462436 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(Cl)cc2)=COc2cc(O)ccc21 ZINC000587462477 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(Cl)cc2)=COc2cc(O)ccc21 ZINC000587462484 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccccc3Cl)c(OC)c1)CC2=O ZINC000587462491 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1C)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587462495 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1C)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587462502 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)OC)c1)CC2=O ZINC000587462509 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OC)cccc1-c1cc(O)ccc1Cl)CC2=O ZINC000587462521 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)OC)c1)CC2=O ZINC000587462527 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OC)cccc1-c1cc(O)ccc1Cl)CC2=O ZINC000587462528 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(Cl)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587462539 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)CC2=O ZINC000587462541 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)CC2=O ZINC000587462543 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(Cl)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587462548 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccccc3Cl)c1)CC2=O ZINC000587462556 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccccc3Cl)c1)CC2=O ZINC000587462559 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587462589 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587462591 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3Cl)c(OCC)c1)CC2=O ZINC000587462607 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3Cl)c(OCC)c1)CC2=O ZINC000587462608 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o1)CC2=O ZINC000587462610 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o1)CC2=O ZINC000587462612 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587462617 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587462619 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Cl)cc3Cl)c3ccccc13)CC2=O ZINC000587462634 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Cl)cc3Cl)c3ccccc13)CC2=O ZINC000587462635 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1cccc(OCOC)c1)CC2=O ZINC000587462697 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1cccc(OCOC)c1)CC2=O ZINC000587462698 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587462699 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587462740 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587462741 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1CCCC(F)(F)F)CC2=O ZINC000587462746 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1CCCC(F)(F)F)CC2=O ZINC000587462747 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1)CC2=O ZINC000587462772 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1)CC2=O ZINC000587462773 JK Annotated Reactive CCCc1c(O)ccc2c1OC(c1nc(Cl)ccc1C)(c1nc(Cl)ccc1C)CC2=O ZINC000587462780 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)CC2=O ZINC000587462796 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)CC2=O ZINC000587462798 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587462831 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1ccccc1OCOC)CC2=O ZINC000587462832 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587462833 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1ccccc1OCOC)CC2=O ZINC000587462834 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)c1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587462835 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)CC2=O ZINC000587462840 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)cc(Cl)c2Oc2cc(O)cc(O)c21 ZINC000587462843 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)CC2=O ZINC000587462844 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(Cl)cc3)cc1Cl)CC2=O ZINC000587462849 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(Cl)cc3)cc1Cl)CC2=O ZINC000587462850 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)cc(Cl)c2Oc2cc(O)cc(O)c21 ZINC000587462851 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587462869 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587462870 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC1)CC2=O ZINC000587462884 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC1)CC2=O ZINC000587462886 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)CC2=O ZINC000587462887 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)CC2=O ZINC000587462888 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587462901 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587462902 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1OCc1ccccc1Cl)CC2=O ZINC000587462921 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1OCc1ccccc1Cl)CC2=O ZINC000587462922 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)OC)c(Cl)c1)CC2=O ZINC000587462931 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)OC)c(Cl)c1)CC2=O ZINC000587462935 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1cc3cc(Cl)ccc3o1)CC2=O ZINC000587462938 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1cc3cc(Cl)ccc3o1)CC2=O ZINC000587462941 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn13)CC2=O ZINC000587462956 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn13)CC2=O ZINC000587462957 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1cccc(Cl)c1)CC2=O ZINC000587462974 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1cccc(Cl)c1)CC2=O ZINC000587462975 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587463013 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587463014 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cn(CC)nc1C)(C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587463015 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cn(CC)nc1C)(C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587463016 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCN(C(=O)C(F)(F)F)CC1)CC2=O ZINC000587463049 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCN(C(=O)C(F)(F)F)CC1)CC2=O ZINC000587463050 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587463084 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587463085 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccccc1Cl)CC2=O ZINC000587463125 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccccc1Cl)CC2=O ZINC000587463126 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(=O)OC)c(Cl)c3)cc1)CC2=O ZINC000587463131 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(=O)OC)c(Cl)c3)cc1)CC2=O ZINC000587463132 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC1)CC2=O ZINC000587463166 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cccc(OC)c3)c(Cl)c1)CC2=O ZINC000587463185 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cccc(OC)c3)c(Cl)c1)CC2=O ZINC000587463186 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o1)CC2=O ZINC000587463197 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o1)CC2=O ZINC000587463198 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3cccc(Cl)c3)c(OCC)c1)CC2=O ZINC000587463208 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3cccc(Cl)c3)c(OCC)c1)CC2=O ZINC000587463209 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCCCC(=O)OCC)(c1cccc(Cl)c1)CC2=O ZINC000587463210 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCCCC(=O)OCC)(c1cccc(Cl)c1)CC2=O ZINC000587463211 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587463230 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587463231 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587463232 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587463233 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)(c1cccc(OCOC)c1)CC2=O ZINC000587463254 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)(c1cccc(OCOC)c1)CC2=O ZINC000587463255 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N3CCNCC3)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587463270 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N3CCNCC3)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587463271 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(Cl)cc3)cc1)CC2=O ZINC000587463286 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(Cl)cc3)cc1)CC2=O ZINC000587463287 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)CC2=O ZINC000587463304 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)CC2=O ZINC000587463305 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(Cl)ncnc1Cl)CC2=O ZINC000587463316 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(Cl)ncnc1Cl)CC2=O ZINC000587463317 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3ncc(C(=O)OCC)c(Cl)c3c1)CC2=O ZINC000587463330 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3ncc(C(=O)OCC)c(Cl)c3c1)CC2=O ZINC000587463331 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Br)cc1C(F)(F)F)CC2=O ZINC000587463336 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Br)cc1C(F)(F)F)CC2=O ZINC000587463337 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)CC2=O ZINC000587463358 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)CC2=O ZINC000587463359 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)nc3ccc(Cl)cn13)CC2=O ZINC000587463362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)nc3ccc(Cl)cn13)CC2=O ZINC000587463363 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(C(F)(F)F)c1F)CC2=O ZINC000587463376 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(C(F)(F)F)c1F)CC2=O ZINC000587463377 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCc3ccccc3Cl)cc1Cl)CC2=O ZINC000587463410 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCc3ccccc3Cl)cc1Cl)CC2=O ZINC000587463411 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587463419 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587463420 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(Cl)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587463430 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(Cl)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587463432 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)CC2=O ZINC000587463436 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C(F)(F)F)cc3)c1C)CC2=O ZINC000587463437 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)OC)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463476 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)OC)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463477 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCC(=O)O)cc1)(c1ccccc1Cl)CC2=O ZINC000587463480 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC(=O)O)cc1)(c1ccccc1Cl)CC2=O ZINC000587463481 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(Cc3ccccc3Cl)c1C)CC2=O ZINC000587463500 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(Cc3ccccc3Cl)c1C)CC2=O ZINC000587463501 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](Cc1ccc3ccccc3n1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587463509 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc3ccccc3n1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587463511 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587463514 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587463516 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463553 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463555 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)([C@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587463562 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587463568 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)OC)c(Cl)c1)CC2=O ZINC000587463569 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)([C@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587463571 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)OC)c(Cl)c1)CC2=O ZINC000587463572 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587463575 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccccc3Cl)c(OC)c1)CC2=O ZINC000587463583 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccccc3Cl)c(OC)c1)CC2=O ZINC000587463586 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463594 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(C(F)(F)F)c1)(c1c(N)sc(C)c1C)CC2=O ZINC000587463599 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C(F)(F)F)c1)(c1c(N)sc(C)c1C)CC2=O ZINC000587463604 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc(C(F)(F)F)c3)c1)CC2=O ZINC000587463605 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc(C(F)(F)F)c3)c1)CC2=O ZINC000587463611 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1C(F)(F)F)([C@H](C)Br)CC2=O ZINC000587463645 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1C(F)(F)F)([C@@H](C)Br)CC2=O ZINC000587463646 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1C(F)(F)F)([C@@H](C)Br)CC2=O ZINC000587463648 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1C(F)(F)F)([C@H](C)Br)CC2=O ZINC000587463650 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCC(F)(F)F)CC2=O ZINC000587463691 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCC(F)(F)F)CC2=O ZINC000587463698 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3ccc(OC)cc3c1Cl)CC2=O ZINC000587463705 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)O)cc1)CC2=O ZINC000587463709 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3ccc(OC)cc3c1Cl)CC2=O ZINC000587463710 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)O)cc1)CC2=O ZINC000587463712 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccc(OCC)cc1)CC2=O ZINC000587463745 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccc(OCC)cc1)CC2=O ZINC000587463746 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463754 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3Cl)nc1-c1ccc(C)cc1)CC2=O ZINC000587463759 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3Cl)nc1-c1ccc(C)cc1)CC2=O ZINC000587463762 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccccc1Cl)CC2=O ZINC000587463771 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccccc1Cl)CC2=O ZINC000587463772 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CC2=O ZINC000587463773 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CC2=O ZINC000587463774 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1ccccc1Cl)CC2=O ZINC000587463775 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1ccccc1Cl)CC2=O ZINC000587463776 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)CC2=O ZINC000587463779 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)CC2=O ZINC000587463780 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587463785 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587463786 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587463797 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587463798 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3cccc(Cl)c3)c1)CC2=O ZINC000587463799 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3cccc(Cl)c3)c1)CC2=O ZINC000587463801 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)CC2=O ZINC000587463805 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)CC2=O ZINC000587463806 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(Cl)c3)c(OC)c1)CC2=O ZINC000587463837 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(Cl)c3)c(OC)c1)CC2=O ZINC000587463839 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncc(C(F)(F)F)cc3Cl)cc1)CC2=O ZINC000587463840 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncc(C(F)(F)F)cc3Cl)cc1)CC2=O ZINC000587463842 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(SC(F)(F)F)c1)CC2=O ZINC000587463857 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(SC(F)(F)F)c1)CC2=O ZINC000587463860 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(Cl)cc1)CC2=O ZINC000587463871 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(Cl)cc1)CC2=O ZINC000587463872 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Cl)ccc(Cl)c21 ZINC000587463908 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Cl)ccc(Cl)c21 ZINC000587463909 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Cl)cc3)nc1-c1ccccc1)CC2=O ZINC000587463913 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Cl)cc3)nc1-c1ccccc1)CC2=O ZINC000587463916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(F)(F)F)ccc1F)CC2=O ZINC000587463917 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(F)(F)F)ccc1F)CC2=O ZINC000587463920 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463921 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463925 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(C(F)(F)F)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587463944 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(F)(F)F)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587463947 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ncccc3C(F)(F)F)c3ccccc13)CC2=O ZINC000587463951 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ncccc3C(F)(F)F)c3ccccc13)CC2=O ZINC000587463953 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)cc(C(F)(F)F)c1)CC2=O ZINC000587463979 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)cc(C(F)(F)F)c1)CC2=O ZINC000587463980 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C#N)cc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463999 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](Cc1ccc(C#N)cc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464000 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(C)cc1)CC2=O ZINC000587464007 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(C)cc1)CC2=O ZINC000587464008 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(C(=O)OC)cc(C(F)(F)F)c3)cc1)CC2=O ZINC000587464017 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(C(=O)OC)cc(C(F)(F)F)c3)cc1)CC2=O ZINC000587464018 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n1)CC2=O ZINC000587464020 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n1)CC2=O ZINC000587464021 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)CC2=O ZINC000587464038 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)cc(OC(F)(F)F)c1)CC2=O ZINC000587464039 JK Annotated Reactive CCCc1c(O)ccc2c1OC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464046 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)CC2=O ZINC000587464049 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)CC2=O ZINC000587464050 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C(F)(F)F)cc3C)c1)CC2=O ZINC000587464095 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C(F)(F)F)cc3C)c1)CC2=O ZINC000587464096 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587464101 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587464102 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1)CC2=O ZINC000587464133 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1)CC2=O ZINC000587464134 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1OC(F)(F)F)CC2=O ZINC000587464149 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1OC(F)(F)F)CC2=O ZINC000587464150 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc13)CC2=O ZINC000587464160 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc13)CC2=O ZINC000587464161 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(-c3cccc(C(F)(F)F)c3)c1)CC2=O ZINC000587464162 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(-c3cccc(C(F)(F)F)c3)c1)CC2=O ZINC000587464163 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OC(F)(F)F)c1O)CC2=O ZINC000587464178 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OC(F)(F)F)c1O)CC2=O ZINC000587464179 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000587464213 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000587464214 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3o1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464223 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3o1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464224 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC(F)(F)F)c1)CC2=O ZINC000587464242 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC(F)(F)F)c1)CC2=O ZINC000587464243 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)(c1cc(Br)ccc1OC(F)(F)F)CC2=O ZINC000587464246 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(Br)ccc1OC(F)(F)F)CC2=O ZINC000587464247 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(C(F)(F)F)ccc3Cl)o1)CC2=O ZINC000587464250 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(C(F)(F)F)ccc3Cl)o1)CC2=O ZINC000587464251 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1)CC2=O ZINC000587464278 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1)CC2=O ZINC000587464279 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(C(F)(F)F)c(Br)cc13)CC2=O ZINC000587464290 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(C(F)(F)F)c(Br)cc13)CC2=O ZINC000587464291 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)CC2=O ZINC000587464304 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC(F)(F)F)c1F)CC2=O ZINC000587464305 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464313 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464314 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464321 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464322 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464323 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464324 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464325 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(C#N)=C(SC)SC)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464326 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c1)CC2=O ZINC000587464337 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c1)CC2=O ZINC000587464338 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464341 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464342 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)CC2=O ZINC000587464346 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)CC2=O ZINC000587464347 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3o1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464352 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3o1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464353 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464358 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464359 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464360 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)CC2=O ZINC000587464362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)CC2=O ZINC000587464363 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Nc3cccc(C(F)(F)F)c3)s1)CC2=O ZINC000587464390 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Nc3cccc(C(F)(F)F)c3)s1)CC2=O ZINC000587464391 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(C(F)(F)F)c1)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587464392 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(C(F)(F)F)c1)([C@H](CC)C(=O)OCC)CC2=O ZINC000587464393 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C(F)(F)F)c1)([C@H](CC)C(=O)OCC)CC2=O ZINC000587464394 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C(F)(F)F)c1)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587464395 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 ZINC000587464410 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 ZINC000587464411 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 ZINC000587464412 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 ZINC000587464413 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1)CC2=O ZINC000587464423 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1)CC2=O ZINC000587464424 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464429 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464430 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](CNc1cccc(C(F)(F)F)c1)(c1ccccc1)CC2=O ZINC000587464441 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNc1cccc(C(F)(F)F)c1)(c1ccccc1)CC2=O ZINC000587464442 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1)CC2=O ZINC000587464449 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1)CC2=O ZINC000587464450 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(CCN3CCC(C(F)(F)F)CC3)c1)CC2=O ZINC000587464465 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(CCN3CCC(C(F)(F)F)CC3)c1)CC2=O ZINC000587464466 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587464473 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587464474 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587464475 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 ZINC000587464476 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc1)CC2=O ZINC000587464483 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc1)CC2=O ZINC000587464484 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)cc1F)CC2=O ZINC000587464501 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)cc1F)CC2=O ZINC000587464502 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n1)CC2=O ZINC000587464505 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n1)CC2=O ZINC000587464506 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1Cl)CC2=O ZINC000587464509 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1Cl)CC2=O ZINC000587464510 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587464559 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587464560 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1Cl)CC2=O ZINC000587464572 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1Cl)CC2=O ZINC000587464573 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587464576 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587464577 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464592 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464593 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ncc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464594 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ncc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464595 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1)CC2=O ZINC000587464606 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1)CC2=O ZINC000587464607 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccnc3ccccc13)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464610 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccnc3ccccc13)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464611 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)CC2=O ZINC000587464620 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)(F)F)cc1)CC2=O ZINC000587464621 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587464624 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587464625 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464666 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464667 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Nc3ccccc3C(F)(F)F)s1)CC2=O ZINC000587464713 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Nc3ccccc3C(F)(F)F)s1)CC2=O ZINC000587464714 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC1)CC2=O ZINC000587464715 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c1C)CC2=O ZINC000587464720 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c1C)CC2=O ZINC000587464721 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc1)CC2=O ZINC000587464732 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc1)CC2=O ZINC000587464733 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(F)(F)F)C1)CC2=O ZINC000587464740 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(F)(F)F)C1)CC2=O ZINC000587464741 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(F)(F)F)C1)CC2=O ZINC000587464742 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(F)(F)F)C1)CC2=O ZINC000587464743 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464754 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464755 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(C(F)(F)F)c3)c3ccccc13)CC2=O ZINC000587464775 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(C(F)(F)F)c3)c3ccccc13)CC2=O ZINC000587464776 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)CC2=O ZINC000587464781 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)CC2=O ZINC000587464782 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)F)c(OC)c1)CC2=O ZINC000587464840 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)F)c(OC)c1)CC2=O ZINC000587464841 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3c(F)cccc3Cl)cc1)CC2=O ZINC000587464852 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3c(F)cccc3Cl)cc1)CC2=O ZINC000587464853 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(C(F)(F)F)cc2N[C@@H]1c1cccs1 ZINC000587464897 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(C(F)(F)F)cc2N[C@H]1c1cccs1 ZINC000587464898 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(C(F)(F)F)cc2N[C@H]1c1cccs1 ZINC000587464899 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(C(F)(F)F)cc2N[C@@H]1c1cccs1 ZINC000587464900 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)CC2=O ZINC000587464907 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cn(-c3cccc(C(F)(F)F)c3)nn1)CC2=O ZINC000587464908 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2COc2cc(C(F)(F)F)ccc21 ZINC000587464913 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2COc2cc(C(F)(F)F)ccc21 ZINC000587464914 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464923 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464924 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(c1cccc(SC(F)(F)F)c1)CC2=O ZINC000587464935 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(c1cccc(SC(F)(F)F)c1)CC2=O ZINC000587464936 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O ZINC000587464966 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O ZINC000587464967 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)ccc(Cl)c1Cl)CC2=O ZINC000587465040 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)ccc(Cl)c1Cl)CC2=O ZINC000587465041 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC(F)F)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587465042 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(F)F)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587465043 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3F)nc1-c1cn(C)nc1C)CC2=O ZINC000587465133 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3F)nc1-c1cn(C)nc1C)CC2=O ZINC000587465137 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(Br)c1F)CC2=O ZINC000587465159 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(Br)c1F)CC2=O ZINC000587465161 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3F)c(OCC)c1)CC2=O ZINC000587465168 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3F)c(OCC)c1)CC2=O ZINC000587465174 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(F)cc3F)n(C)c3ccccc13)CC2=O ZINC000587465186 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(F)cc3F)n(C)c3ccccc13)CC2=O ZINC000587465189 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(F)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587465233 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(F)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587465234 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3n1C(F)F)(c1cccs1)CC2=O ZINC000587465276 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3n1C(F)F)(c1cccs1)CC2=O ZINC000587465279 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3c(F)c(F)cc(F)c3F)o1)CC2=O ZINC000587465326 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3c(F)c(F)cc(F)c3F)o1)CC2=O ZINC000587465327 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3nc(C(F)F)cc3C(F)F)o1)CC2=O ZINC000587465340 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3nc(C(F)F)cc3C(F)F)o1)CC2=O ZINC000587465341 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(F)cccc3Cl)c(OCC)c1)CC2=O ZINC000587465348 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(F)cccc3Cl)c(OCC)c1)CC2=O ZINC000587465357 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cc(C(=O)OC)ccc3F)c1O)CC2=O ZINC000587465372 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cc(C(=O)OC)ccc3F)c1O)CC2=O ZINC000587465373 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC(F)F)c(OCC)c1)CC2=O ZINC000587465398 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(F)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587465425 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N(CC)CC)CC2=O ZINC000587465426 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(F)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587465427 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N(CC)CC)CC2=O ZINC000587465433 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c1)CC2=O ZINC000587465436 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c1)CC2=O ZINC000587465437 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1cccc(Cl)c1F)CC2=O ZINC000587465444 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1cccc(Cl)c1F)CC2=O ZINC000587465453 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1cccc(Cl)c1F)CC2=O ZINC000587465455 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1cccc(Cl)c1F)CC2=O ZINC000587465457 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc(Br)c1F)CC2=O ZINC000587465498 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(Br)c1F)CC2=O ZINC000587465504 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587465516 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587465517 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1F)(c1ccccc1Br)CC2=O ZINC000587465528 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1F)(c1ccccc1Br)CC2=O ZINC000587465529 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)cc(Br)c1)CC2=O ZINC000587465535 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)cc(Br)c1)CC2=O ZINC000587465537 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC(F)F)c(OCC)c1)CC2=O ZINC000587465563 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3c(F)c(F)cc(F)c3F)c1)CC2=O ZINC000587465600 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3c(F)c(F)cc(F)c3F)c1)CC2=O ZINC000587465601 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)CC2=O ZINC000587465653 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)CC2=O ZINC000587465655 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](CCc1ccc(Br)cc1F)(C(C)(C)C)CC2=O ZINC000587465689 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccc(Br)cc1F)(C(C)(C)C)CC2=O ZINC000587465707 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1cccc(F)c1)CC2=O ZINC000587465737 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1cccc(F)c1)CC2=O ZINC000587465739 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cccnc1NC(=O)C(C)(C)C)CC2=O ZINC000587465740 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cccnc1NC(=O)C(C)(C)C)CC2=O ZINC000587465745 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)CC2=O ZINC000587465794 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC1OCC(C)(C)CO1)(c1ccccc1F)CC2=O ZINC000587465800 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCC1OCC(C)(C)CO1)(c1ccccc1F)CC2=O ZINC000587465801 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)CC2=O ZINC000587465802 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(F)cc3Br)cc1)CC2=O ZINC000587465805 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(F)cc3Br)cc1)CC2=O ZINC000587465807 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccccc3F)c(OC)c1)CC2=O ZINC000587465887 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccccc3F)c(OC)c1)CC2=O ZINC000587465888 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nc(Cl)ncc3F)c(OC)c1)CC2=O ZINC000587466075 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nc(Cl)ncc3F)c(OC)c1)CC2=O ZINC000587466076 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1Br)CC2=O ZINC000587466089 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1Br)CC2=O ZINC000587466091 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(F)c(Cl)c3)c1C)CC2=O ZINC000587466100 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(F)c(Cl)c3)c1C)CC2=O ZINC000587466104 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])CC2=O ZINC000587466120 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])CC2=O ZINC000587466129 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3F)nc1-c1cnn(CC)c1)CC2=O ZINC000587466181 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3F)nc1-c1cnn(CC)c1)CC2=O ZINC000587466183 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(C#Cc3ccccc3)cc1)CC2=O ZINC000587466208 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(C#Cc3ccccc3)cc1)CC2=O ZINC000587466217 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)CC2=O ZINC000587466232 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)CC2=O ZINC000587466239 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587466300 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587466320 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1cccc(Br)c1)CC2=O ZINC000587466347 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1cccc(Br)c1)CC2=O ZINC000587466349 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Br)cc1F)CC2=O ZINC000587466394 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Br)cc1F)CC2=O ZINC000587466397 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Br)c(OC)c1F)CC2=O ZINC000587466399 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Br)c(OC)c1F)CC2=O ZINC000587466404 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(F)cc3Cl)c3ccccc13)CC2=O ZINC000587466413 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(F)cc3Cl)c3ccccc13)CC2=O ZINC000587466426 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c1)CC2=O ZINC000587466427 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(F)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587466430 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c1)CC2=O ZINC000587466432 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1cccc(F)c1)CC2=O ZINC000587466433 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1Oc1cccc(F)c1)CC2=O ZINC000587466435 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cccc(Br)c1)CC2=O ZINC000587466436 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cccc(Br)c1)CC2=O ZINC000587466437 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(F)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587466444 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(F)c(Cl)c3)c1)CC2=O ZINC000587466446 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3)c(OCC)c1)CC2=O ZINC000587466457 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(F)c(Cl)c3)c1)CC2=O ZINC000587466459 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3)c(OCC)c1)CC2=O ZINC000587466461 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)ccc1OC(F)F)CC2=O ZINC000587466494 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccccc1F)CC2=O ZINC000587466502 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccccc1F)CC2=O ZINC000587466503 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)ccc1OC(F)F)CC2=O ZINC000587466504 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1F)CC2=O ZINC000587466513 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1F)CC2=O ZINC000587466515 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc([C@@H](C#N)c3ccc(F)cc3)cc1)CC2=O ZINC000587466521 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000587466522 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc([C@H](C#N)c3ccc(F)cc3)cc1)CC2=O ZINC000587466523 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc([C@H](C#N)c3ccc(F)cc3)cc1)CC2=O ZINC000587466525 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)CC2=O ZINC000587466526 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc([C@@H](C#N)c3ccc(F)cc3)cc1)CC2=O ZINC000587466527 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000587466529 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)CC2=O ZINC000587466533 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)CC2=O ZINC000587466537 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)CC2=O ZINC000587466540 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587466544 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587466545 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Br)cc1Br)CC2=O ZINC000587466556 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Br)cc1Br)CC2=O ZINC000587466557 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCCF)CC2=O ZINC000587466564 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCCF)CC2=O ZINC000587466565 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCN(Cc1ccccc1)C(=O)OC(C)(C)C)CC2=O ZINC000587466601 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCN(Cc1ccccc1)C(=O)OC(C)(C)C)CC2=O ZINC000587466602 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C)c(F)c3)c1C)CC2=O ZINC000587466622 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C)c(F)c3)c1C)CC2=O ZINC000587466623 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(c1cc([N+](=O)[O-])ccc1NC)CC2=O ZINC000587466644 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(c1cc([N+](=O)[O-])ccc1NC)CC2=O ZINC000587466645 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1ccc(OC)c(F)c1)CC2=O ZINC000587466663 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1ccc(OC)c(F)c1)CC2=O ZINC000587466667 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)CC2=O ZINC000587466702 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)CC2=O ZINC000587466706 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N(C)C)[nH]c3cccc(I)c13)CC2=O ZINC000587466717 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N(C)C)[nH]c3cccc(I)c13)CC2=O ZINC000587466721 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587466762 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587466765 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1F)(c1ccc(OC)cc1Br)CC2=O ZINC000587466797 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1F)(c1ccc(OC)cc1Br)CC2=O ZINC000587466800 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(F)cc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587466808 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(F)cc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587466817 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587466829 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587466832 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC(F)F)c(OC)c1)CC2=O ZINC000587466859 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC(F)F)c(OC)c1)CC2=O ZINC000587466860 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(F)cc(F)c1)(c1cccnc1NC(=O)C(C)(C)C)CC2=O ZINC000587466863 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(F)cc(F)c1)(c1cccnc1NC(=O)C(C)(C)C)CC2=O ZINC000587466866 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC(F)F)cc1)(c1cccc(F)c1C)CC2=O ZINC000587466893 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cccc(F)c1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587466895 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cccc(F)c1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587466896 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587466897 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(F)F)cc1)(c1cccc(F)c1C)CC2=O ZINC000587466898 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587466899 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1(COc3cccc(F)c3Br)CCC1)CC2=O ZINC000587466908 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1(COc3cccc(F)c3Br)CCC1)CC2=O ZINC000587466909 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)CC2=O ZINC000587466910 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)CC2=O ZINC000587466911 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)CC2=O ZINC000587466912 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)CC2=O ZINC000587466913 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1Cl)CC2=O ZINC000587466927 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1Cl)CC2=O ZINC000587466928 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(F)cccc3Cl)c(OC)c1)CC2=O ZINC000587466941 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(F)cccc3Cl)c(OC)c1)CC2=O ZINC000587466942 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCc3c(F)cccc3Cl)c1)CC2=O ZINC000587466951 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCc3c(F)cccc3Cl)c1)CC2=O ZINC000587466952 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c1)CC2=O ZINC000587467001 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c1)CC2=O ZINC000587467002 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1ccc(F)c(F)c1)CC2=O ZINC000587467017 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1ccc(F)c(F)c1)CC2=O ZINC000587467018 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Br)cc1F)CC2=O ZINC000587467025 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Br)cc1F)CC2=O ZINC000587467028 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1ccc(Cl)cc1F)CC2=O ZINC000587467047 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)CC2=O ZINC000587467051 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)CC2=O ZINC000587467053 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1ccc(Cl)cc1F)CC2=O ZINC000587467054 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](Cc1cccc(F)c1)(c1ccc(OC)cc1Br)CC2=O ZINC000587467149 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cccc(F)c1)(c1ccc(OC)cc1Br)CC2=O ZINC000587467150 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)CC2=O ZINC000587467165 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)CC2=O ZINC000587467172 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587467173 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587467174 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587467187 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587467188 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587467190 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)c1cccc(F)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587467192 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1cc(F)c(Cl)nc1Cl)CC2=O ZINC000587467228 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1cc(F)c(Cl)nc1Cl)CC2=O ZINC000587467230 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C(F)F)cc3C(F)F)c1)CC2=O ZINC000587467282 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C(F)F)cc3C(F)F)c1)CC2=O ZINC000587467285 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1c(C)c(CN=O)c3ccccn13)CC2=O ZINC000587467315 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)c(F)c(Cl)c1F)CC2=O ZINC000587467323 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(F)c(Cl)c1F)CC2=O ZINC000587467324 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1F)CC2=O ZINC000587467325 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1F)CC2=O ZINC000587467326 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)c(F)c1)CC2=O ZINC000587467447 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)c(F)c1)CC2=O ZINC000587467448 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2=O ZINC000587467483 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2=O ZINC000587467484 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])CC2=O ZINC000587467485 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])CC2=O ZINC000587467486 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cccc(I)c13)CC2=O ZINC000587467510 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cccc(I)c13)CC2=O ZINC000587467518 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)COc3ccc4ccccc4c3)cc1)CC2=O ZINC000587467562 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)COc3ccc4ccccc4c3)cc1)CC2=O ZINC000587467563 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c(C)c(CN=O)c3ccccn13)CC2=O ZINC000587467695 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N=Nc3ccc(N(CC)CC)cc3)cc1)CC2=O ZINC000587467718 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N=Nc3ccc(N(CC)CC)cc3)cc1)CC2=O ZINC000587467721 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c3ccnc-3[nH]c(I)c1Cl)CC2=O ZINC000587467756 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c3ccnc-3[nH]c(I)c1Cl)CC2=O ZINC000587467761 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c1)CC2=O ZINC000587467773 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c1)CC2=O ZINC000587467774 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587467775 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587467776 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(F)c3)c(OCC)c1)CC2=O ZINC000587467779 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(F)c3)c(OCC)c1)CC2=O ZINC000587467780 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)CC2=O ZINC000587467791 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)CC2=O ZINC000587467792 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OCc3ccccc3F)ccc3ccccc13)CC2=O ZINC000587467793 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCc3ccccc3F)ccc3ccccc13)CC2=O ZINC000587467794 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc(F)cc3Cl)c1)CC2=O ZINC000587467795 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc(F)cc3Cl)c1)CC2=O ZINC000587467796 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccc(OC)cc1Br)CC2=O ZINC000587467809 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccc(OC)cc1Br)CC2=O ZINC000587467810 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1Br)CC2=O ZINC000587467826 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1Br)CC2=O ZINC000587467828 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Br)ccc1F)CC2=O ZINC000587467870 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Br)ccc1F)CC2=O ZINC000587467873 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)CC2=O ZINC000587467881 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)CC2=O ZINC000587467917 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3c(F)cccc3Cl)c1)CC2=O ZINC000587467952 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3c(F)cccc3Cl)c1)CC2=O ZINC000587467954 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(Br)c1)CC2=O ZINC000587467967 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(Br)c1)CC2=O ZINC000587467968 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccccc3F)c(OC)c1)CC2=O ZINC000587467969 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccccc3F)c(OC)c1)CC2=O ZINC000587467971 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1)CC2=O ZINC000587468003 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(NC(=O)OCc3ccccc3)c1F)CC2=O ZINC000587468011 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1)CC2=O ZINC000587468012 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(NC(=O)OCc3ccccc3)c1F)CC2=O ZINC000587468014 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)CC2=O ZINC000587468185 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)CC2=O ZINC000587468186 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C(=O)OC)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587468240 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3c(C)cc(C)cc3C)cc1F)CC2=O ZINC000587468356 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3c(C)cc(C)cc3C)cc1F)CC2=O ZINC000587468361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(-c3ccccc3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587468363 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(Br)ccc1F)CC2=O ZINC000587468366 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(Br)ccc1F)CC2=O ZINC000587468368 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(-c3ccccc3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587468377 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O ZINC000587468382 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O ZINC000587468388 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CSc1cc(C)ccc1C)(Cc1ccccc1F)CC2=O ZINC000587468426 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1cc(C)ccc1C)(Cc1ccccc1F)CC2=O ZINC000587468429 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1Br)(c1ccc(F)cc1)CC2=O ZINC000587468499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1Br)(c1ccc(F)cc1)CC2=O ZINC000587468501 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Br)ccc1F)CC2=O ZINC000587468516 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Br)ccc1F)CC2=O ZINC000587468521 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1ccccc1OC(F)F)(c1ccccc1)CC2=O ZINC000587468527 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1ccccc1OC(F)F)(c1ccccc1)CC2=O ZINC000587468533 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CCC(=O)OCc3ccccc3)c1F)CC2=O ZINC000587468541 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cccc(C(=O)c3ccc(F)cc3)c1)CC2=O ZINC000587468545 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CCC(=O)OCc3ccccc3)c1F)CC2=O ZINC000587468550 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cccc(C(=O)c3ccc(F)cc3)c1)CC2=O ZINC000587468551 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)ccc1Br)CC2=O ZINC000587468559 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)ccc1Br)CC2=O ZINC000587468562 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Br)ccc1N)(c1ccccc1F)CC2=O ZINC000587468571 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Br)ccc1N)(c1ccccc1F)CC2=O ZINC000587468573 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC(=O)N3)(c1c(F)cccc1F)CC2=O ZINC000587468601 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C(=O)OC)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587468606 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c1)CC2=O ZINC000587468614 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC(=O)N3)(c1c(F)cccc1F)CC2=O ZINC000587468615 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c1)CC2=O ZINC000587468617 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)CC2=O ZINC000587468628 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)CC2=O ZINC000587468632 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1c(F)cccc1Cl)CC2=O ZINC000587468637 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OCc3ccccc3)c1)([C@H](C)CN(C)C)CC2=O ZINC000587468638 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1c(F)cccc1Cl)CC2=O ZINC000587468639 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OCc3ccccc3)c1)([C@H](C)CN(C)C)CC2=O ZINC000587468640 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OCc3ccccc3)c1)([C@@H](C)CN(C)C)CC2=O ZINC000587468644 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(F)cc3Cl)c1)CC2=O ZINC000587468646 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OCc3ccccc3)c1)([C@@H](C)CN(C)C)CC2=O ZINC000587468647 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(F)cc3Cl)c1)CC2=O ZINC000587468652 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3[N+](=O)[O-])c1)CC2=O ZINC000587468744 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3[N+](=O)[O-])c1)CC2=O ZINC000587468746 JK Annotated Bother CCCCOc1ccc(C=Nc2ccc([C@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)cc2)cc1 ZINC000587468800 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)(c1oc3ccccc3c1N)CC2=O ZINC000587468802 JK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc([C@@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)cc2)cc1 ZINC000587468804 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)(c1oc3ccccc3c1N)CC2=O ZINC000587468805 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N(C(C)C)C(C)C)c(OCC)c1)CC2=O ZINC000587468807 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N(C(C)C)C(C)C)c(OCC)c1)CC2=O ZINC000587468811 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc13)CC2=O ZINC000587468830 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc13)CC2=O ZINC000587468832 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587468929 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587468931 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(F)cc3F)c1)CC2=O ZINC000587468942 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(F)cc3F)c1)CC2=O ZINC000587468949 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c1)CC2=O ZINC000587468975 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c1)CC2=O ZINC000587468980 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(Br)cc3F)c1C)CC2=O ZINC000587469000 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(Br)cc3F)c1C)CC2=O ZINC000587469004 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1occc1NC(=O)OC(C)(C)C)CC2=O ZINC000587469028 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1occc1NC(=O)OC(C)(C)C)CC2=O ZINC000587469029 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1ccc3c(c1)OCCO3)(c1ccccc1)CC2=O ZINC000587469030 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1ccc3c(c1)OCCO3)(c1ccccc1)CC2=O ZINC000587469031 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ncccc1C(=O)O)(c1ccc(F)cc1)CC2=O ZINC000587469127 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ncccc1C(=O)O)(c1ccc(F)cc1)CC2=O ZINC000587469128 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)CC2=O ZINC000587469175 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)CC2=O ZINC000587469177 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587469188 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587469189 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3Cl)c(OC)c1)CC2=O ZINC000587469203 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3Cl)c(OC)c1)CC2=O ZINC000587469205 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccc(F)cc3)c(OC)c1)CC2=O ZINC000587469212 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccc(F)cc3)c(OC)c1)CC2=O ZINC000587469214 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc3nc(NC(=O)OC)[nH]c3c1)CC2=O ZINC000587469230 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc3nc(NC(=O)OC)[nH]c3c1)CC2=O ZINC000587469231 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(I)cc(Cl)cc13)CC2=O ZINC000587469247 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(I)cc(Cl)cc13)CC2=O ZINC000587469252 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(I)nc1Cl)CC2=O ZINC000587469253 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(I)nc1Cl)CC2=O ZINC000587469254 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)N(c3ccccc3)C(C)C)cc1)CC2=O ZINC000587469273 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)N(c3ccccc3)C(C)C)cc1)CC2=O ZINC000587469274 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)CC2=O ZINC000587469287 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)CC2=O ZINC000587469288 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(F)cc1Cl)CC2=O ZINC000587469388 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(F)cc1Cl)CC2=O ZINC000587469389 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(F)cc3)c1C)CC2=O ZINC000587469390 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(F)cc3)c1C)CC2=O ZINC000587469393 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)CC2=O ZINC000587469401 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)CC2=O ZINC000587469402 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1sc(Nc3cccc(F)c3)nc1N)CC2=O ZINC000587469415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(OC)cc3)n(C)c3ccccc13)CC2=O ZINC000587469424 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1sc(Nc3cccc(F)c3)nc1N)CC2=O ZINC000587469425 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(OC)cc3)n(C)c3ccccc13)CC2=O ZINC000587469427 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)n(-c3ccccc3)c3ccccc13)CC2=O ZINC000587469479 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)n(-c3ccccc3)c3ccccc13)CC2=O ZINC000587469480 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c1)CC2=O ZINC000587469490 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c1)CC2=O ZINC000587469491 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C3CC3)nc3ccccc3c1-c1ccc(F)cc1)CC2=O ZINC000587469530 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C3CC3)nc3ccccc3c1-c1ccc(F)cc1)CC2=O ZINC000587469532 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NCC)ccc(NCC)c21 ZINC000587469587 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NCC)ccc(NCC)c21 ZINC000587469597 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(F)cc1)CC2=O ZINC000587469611 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(F)cc1)CC2=O ZINC000587469615 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1cn(CC)nc1C)CC2=O ZINC000587469744 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3)nc1-c1cn(CC)nc1C)CC2=O ZINC000587469750 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(I)=COc2ccc(Cl)cc21 ZINC000587469772 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(I)=COc2ccc(Cl)cc21 ZINC000587469773 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O ZINC000587469813 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O ZINC000587469814 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O ZINC000587469837 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O ZINC000587469838 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C(=O)N1CCCc3ccccc31)(c1cn(C)c3ccccc13)CC2=O ZINC000587469851 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCCc3ccccc31)(c1cn(C)c3ccccc13)CC2=O ZINC000587469852 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(/C=C\C(=O)OCC)n(C)c1)CC2=O ZINC000587469879 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(/C=C/C(=O)OCC)n(C)c1)CC2=O ZINC000587469880 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(/C=C\C(=O)OCC)n(C)c1)CC2=O ZINC000587469881 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(/C=C/C(=O)OCC)n(C)c1)CC2=O ZINC000587469882 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(I)=COc2ccc(C)cc21 ZINC000587469952 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(I)=COc2ccc(C)cc21 ZINC000587469953 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c1)CC2=O ZINC000587470064 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c1)CC2=O ZINC000587470065 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c1)CC2=O ZINC000587470066 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c1)CC2=O ZINC000587470067 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc([N+](=O)[O-])cc2)=C(C)Oc2cc(O)ccc21 ZINC000587470121 JK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc([N+](=O)[O-])cc2)=C(C)Oc2cc(O)ccc21 ZINC000587470126 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587470142 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587470144 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(I)cc1)CC2=O ZINC000587470154 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(I)cc1)CC2=O ZINC000587470156 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccc(F)cc3)c(OCC)c1)CC2=O ZINC000587470159 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccc(F)cc3)c(OCC)c1)CC2=O ZINC000587470160 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587470195 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587470198 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1I)CC2=O ZINC000587470224 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1I)CC2=O ZINC000587470226 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3sc4ccccc4n13)CC2=O ZINC000587470227 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3sc4ccccc4n13)CC2=O ZINC000587470231 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O ZINC000587470238 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O ZINC000587470241 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1)CC2=O ZINC000587470271 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1)CC2=O ZINC000587470273 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)n(-c3ccc(C)cc3)c3ccc(O)cc13)CC2=O ZINC000587470274 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)n(-c3ccc(C)cc3)c3ccc(O)cc13)CC2=O ZINC000587470278 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C(=C/N(C)C)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587470317 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C(=C/N(C)C)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587470318 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N(CC)CC)cc1O)(c1ccccc1C(=O)O)CC2=O ZINC000587470329 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N(CC)CC)cc1O)(c1ccccc1C(=O)O)CC2=O ZINC000587470330 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(I)=COc2ccc(F)cc21 ZINC000587470335 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(I)=COc2ccc(F)cc21 ZINC000587470336 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(F)cc(I)cc13)CC2=O ZINC000587470337 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(F)cc(I)cc13)CC2=O ZINC000587470338 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Nc3c4ccccc4nc4occc34)cc1)CC2=O ZINC000587470452 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Nc3c4ccccc4nc4occc34)cc1)CC2=O ZINC000587470453 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3cc(C)ccc3C)c3ccccc13)CC2=O ZINC000587470515 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3cc(C)ccc3C)c3ccccc13)CC2=O ZINC000587470516 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c3cccc(I)c13)CC2=O ZINC000587470676 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c3cccc(I)c13)CC2=O ZINC000587470677 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1ccc(OC)c3I)CC2=O ZINC000587470695 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)CC2=O ZINC000587470696 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)CC2=O ZINC000587470697 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3)nc1-c1cn(C)nc1C)CC2=O ZINC000587470708 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1cn(C)nc1C)CC2=O ZINC000587470709 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(I)c1O)CC2=O ZINC000587470716 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(I)c1O)CC2=O ZINC000587470717 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1I)CC2=O ZINC000587470718 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1I)CC2=O ZINC000587470719 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2=O ZINC000587470726 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2=O ZINC000587470727 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(I)cc1)CC2=O ZINC000587470752 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(I)cc1)CC2=O ZINC000587470753 JK Annotated Anodyne CCCOc1c(I)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587470754 JK Annotated Anodyne CCCOc1c(I)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587470755 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1ccc(OC)c3I)CC2=O ZINC000587470866 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ncc(I)c-3cc1Cl)CC2=O ZINC000587470868 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ncc(I)c-3cc1Cl)CC2=O ZINC000587470871 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@H](C)CN(C)Cc1ccccc1)CC2=O ZINC000587470991 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@H](C)CN(C)Cc1ccccc1)CC2=O ZINC000587470993 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@@H](C)CN(C)Cc1ccccc1)CC2=O ZINC000587470994 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@@H](C)CN(C)Cc1ccccc1)CC2=O ZINC000587470995 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1ccc(Oc3ncccn3)cc1)CC2=O ZINC000587471092 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1ccc(Oc3ncccn3)cc1)CC2=O ZINC000587471093 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C3Oc4cc(N(CC)CC)ccc4N=C3c3ccccc31)CC2=O ZINC000587471124 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C3Oc4cc(N(CC)CC)ccc4N=C3c3ccccc31)CC2=O ZINC000587471125 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)ccc1Br)CC2=O ZINC000587471146 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)ccc1Br)CC2=O ZINC000587471147 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCCC1)(c1cc(C)n(-c3ccc(F)cc3)c1C)CC2=O ZINC000587471181 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@](CN1CCCC1)(c1cc(C)n(-c3ccc(F)cc3)c1C)CC2=O ZINC000587471188 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](CC#N)(c1c(-c3ccccc3)n(CC)c3ccccc13)CC2=O ZINC000587471205 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(I)c1)CC2=O ZINC000587471210 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1c(-c3ccccc3)n(CC)c3ccccc13)CC2=O ZINC000587471211 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(I)c1)CC2=O ZINC000587471215 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(I)c1O)CC2=O ZINC000587471259 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(I)c1O)CC2=O ZINC000587471261 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c1)CC2=O ZINC000587471462 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c1)CC2=O ZINC000587471463 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(O[C@H](C)C(=O)O)cc3)c1C)CC2=O ZINC000587471474 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(O[C@@H](C)C(=O)O)cc3)c1C)CC2=O ZINC000587471475 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(O[C@H](C)C(=O)O)cc3)c1C)CC2=O ZINC000587471476 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(O[C@@H](C)C(=O)O)cc3)c1C)CC2=O ZINC000587471477 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1cccc(OC)c1)CC2=O ZINC000587471593 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3)nc1-c1cccc(OC)c1)CC2=O ZINC000587471595 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(F)cc3)c3nc(O)ccc13)CC2=O ZINC000587471618 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)(C(C)(C)[C@@H](NC(=O)OC)c1ccccc1)CC2=O ZINC000587471620 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(F)cc3)c3nc(O)ccc13)CC2=O ZINC000587471621 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)(C(C)(C)[C@@H](NC(=O)OC)c1ccccc1)CC2=O ZINC000587471622 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)(C(C)(C)[C@H](NC(=O)OC)c1ccccc1)CC2=O ZINC000587471623 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)(C(C)(C)[C@H](NC(=O)OC)c1ccccc1)CC2=O ZINC000587471625 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c1)CC2=O ZINC000587471639 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c1)CC2=O ZINC000587471643 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(I)cc1)CC2=O ZINC000587471671 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(I)cc1)CC2=O ZINC000587471674 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587471730 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587471731 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3cccc(C)c3C)n(C)c3ccccc13)CC2=O ZINC000587471739 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3cccc(C)c3C)n(C)c3ccccc13)CC2=O ZINC000587471740 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)CC2=O ZINC000587471741 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)CC2=O ZINC000587471742 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O ZINC000587471763 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O ZINC000587471764 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(/C=C/C(=O)OCC)n(C)c1)CC2=O ZINC000587471765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(/C=C\C(=O)OCC)n(C)c1)CC2=O ZINC000587471766 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(/C=C\C(=O)OCC)n(C)c1)CC2=O ZINC000587471767 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(/C=C/C(=O)OCC)n(C)c1)CC2=O ZINC000587471768 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O ZINC000587471781 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O ZINC000587471782 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O ZINC000587471793 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O ZINC000587471794 JK Annotated Mild CCCc1c(O)ccc2c1OC1(CCC(N(Cc3ccccc3)Cc3ccccc3)CC1)CC2=O ZINC000587471836 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3ccccc3C(=O)O)c1)CC2=O ZINC000587471837 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3ccccc3C(=O)O)c1)CC2=O ZINC000587471838 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3ccc(C(C)C)cc3)cc1)CC2=O ZINC000587471865 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3ccc(C(C)C)cc3)cc1)CC2=O ZINC000587471866 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471891 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471892 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccccc3)c(OCC)c1)CC2=O ZINC000587471916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccccc3)c(OCC)c1)CC2=O ZINC000587471917 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471922 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471923 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCSc1ccc(F)cc1)(c1ccc(F)cc1)CC2=O ZINC000587471936 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCSc1ccc(F)cc1)(c1ccc(F)cc1)CC2=O ZINC000587471937 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(C)cc3)nc1-c1ccc(F)cc1)CC2=O ZINC000587471959 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(C)cc3)nc1-c1ccc(F)cc1)CC2=O ZINC000587471960 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C(C)C)cc3)c(C(=O)OC)c(C)n1C)CC2=O ZINC000587472125 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C(C)C)cc3)c(C(=O)OC)c(C)n1C)CC2=O ZINC000587472126 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)Nc3ccccc3C)cc1)CC2=O ZINC000587472162 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)Nc3ccccc3C)cc1)CC2=O ZINC000587472163 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC(C)C)ccc(NC(C)C)c21 ZINC000587472210 JK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC(C)C)ccc(NC(C)C)c21 ZINC000587472211 JK Annotated Clean CCCCCn1ccc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587472241 JK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587472242 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc([N+](=O)[O-])c3)c1)CC2=O ZINC000587472306 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc([N+](=O)[O-])c3)c1)CC2=O ZINC000587472307 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c1)CC2=O ZINC000587472310 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c1)CC2=O ZINC000587472311 JK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C(C)C)ccc2Oc2nc(N)c(C(=O)OC)cc21 ZINC000587472314 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C(C)C)ccc2Oc2nc(N)c(C(=O)OC)cc21 ZINC000587472315 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(C(=O)OC)cc1[N+](=O)[O-])CC2=O ZINC000587472333 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(C(=O)OC)cc1[N+](=O)[O-])CC2=O ZINC000587472334 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587472366 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587472367 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)CC2=O ZINC000587472372 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)CC2=O ZINC000587472373 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc13)CC2=O ZINC000587472414 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc13)CC2=O ZINC000587472415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3ccc(Cl)cn13)CC2=O ZINC000587472485 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3ccc(Cl)cn13)CC2=O ZINC000587472486 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1oc3ccccc3c1N)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587472493 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1oc3ccccc3c1N)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587472494 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1oc3nc(C)cc(COC)c3c1N)CC2=O ZINC000587472503 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1oc3nc(C)cc(COC)c3c1N)CC2=O ZINC000587472504 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1-c1ccccc1)([C@H](CCCN)C(=O)O)CC2=O ZINC000587472509 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1-c1ccccc1)([C@H](CCCN)C(=O)O)CC2=O ZINC000587472510 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1-c1ccccc1)([C@@H](CCCN)C(=O)O)CC2=O ZINC000587472511 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1-c1ccccc1)([C@@H](CCCN)C(=O)O)CC2=O ZINC000587472512 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472513 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472514 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587472561 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587472562 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])CC2=O ZINC000587472580 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])CC2=O ZINC000587472581 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1cccc(C)c1)CC2=O ZINC000587472685 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3)nc1-c1cccc(C)c1)CC2=O ZINC000587472686 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)CC2=O ZINC000587472702 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)CC2=O ZINC000587472703 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCCO3)(c1oc3ccccc3c1N)CC2=O ZINC000587472738 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCCO3)(c1oc3ccccc3c1N)CC2=O ZINC000587472739 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)CC2=O ZINC000587472750 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)CC2=O ZINC000587472751 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587472760 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587472761 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3C(=O)OC)c([N+](=O)[O-])c1)CC2=O ZINC000587472852 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3C(=O)OC)c([N+](=O)[O-])c1)CC2=O ZINC000587472854 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)c([N+](=O)[O-])c3)cc1)CC2=O ZINC000587472855 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)c([N+](=O)[O-])c3)cc1)CC2=O ZINC000587472857 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1I)CC2=O ZINC000587472935 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1I)CC2=O ZINC000587472942 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587472967 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587472968 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])CC2=O ZINC000587473102 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])CC2=O ZINC000587473103 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1I)CC2=O ZINC000587473149 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1I)CC2=O ZINC000587473151 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473152 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473154 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c1)CC2=O ZINC000587473178 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c1)CC2=O ZINC000587473183 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC)CC2=O ZINC000587473197 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC)CC2=O ZINC000587473199 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(I)cc1Br)CC2=O ZINC000587473263 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)cc1Br)CC2=O ZINC000587473264 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)c(Cl)nc1C)CC2=O ZINC000587473265 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)c(Cl)nc1C)CC2=O ZINC000587473266 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(I)cc1)CC2=O ZINC000587473305 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(I)cc1)CC2=O ZINC000587473306 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(C(=O)OC)cccc3[N+](=O)[O-])cc1)CC2=O ZINC000587473325 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(C(=O)OC)cccc3[N+](=O)[O-])cc1)CC2=O ZINC000587473326 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)CC2=O ZINC000587473333 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)CC2=O ZINC000587473334 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(C(=O)OC)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587473367 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(C(=O)OC)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587473368 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(C)ccc3[N+](=O)[O-])c1)CC2=O ZINC000587473373 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(C)ccc3[N+](=O)[O-])c1)CC2=O ZINC000587473374 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O ZINC000587473375 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O ZINC000587473376 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O ZINC000587473458 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O ZINC000587473459 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473486 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473487 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c1C)CC2=O ZINC000587473552 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c1C)CC2=O ZINC000587473553 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC2=O ZINC000587473663 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC2=O ZINC000587473664 JK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587473687 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587473689 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1NCc1ccc(OC)cc1)CC2=O ZINC000587473708 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1NCc1ccc(OC)cc1)CC2=O ZINC000587473711 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587473862 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587473863 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c1)CC2=O ZINC000587473868 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c1)CC2=O ZINC000587473869 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCN(C(=O)OCc4ccccc4)CC3)CC1)CC2=O ZINC000587473907 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC13CN(C(c1ccccc1)c1ccccc1)C3)CC2=O ZINC000587473915 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC13CN(C(c1ccccc1)c1ccccc1)C3)CC2=O ZINC000587473917 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C)ccc2N=C2N(c3ccccc3)CC[C@]21O ZINC000587473979 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C)ccc2N=C2N(c3ccccc3)CC[C@]21O ZINC000587473980 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)CC2=O ZINC000587473981 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc1)CC2=O ZINC000587473983 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c1)CC2=O ZINC000587473985 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c1)CC2=O ZINC000587473990 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(C)cc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587474080 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(C)cc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587474081 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(CC)cc1)CC2=O ZINC000587474106 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(CC)cc1)CC2=O ZINC000587474107 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc4ccccc34)c3ccccc13)CC2=O ZINC000587474128 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc4ccccc34)c3ccccc13)CC2=O ZINC000587474129 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCOc3ccccc3C)c3ccccc13)CC2=O ZINC000587474155 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCOc3ccccc3C)c3ccccc13)CC2=O ZINC000587474158 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)N3CCC(C)CC3)c3ccccc13)CC2=O ZINC000587474178 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3CCC(C)CC3)c3ccccc13)CC2=O ZINC000587474179 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587474243 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587474244 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587474245 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587474246 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2nn(Cc3ccon3)c3cccc1c23 ZINC000587474249 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2nn(Cc3ccon3)c3cccc1c23 ZINC000587474254 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc4ccccc4c3)c3ccccc13)CC2=O ZINC000587474364 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc4ccccc4c3)c3ccccc13)CC2=O ZINC000587474365 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)CC2=O ZINC000587474384 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)CC2=O ZINC000587474385 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587474449 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3cccc4ccccc34)c1N1CCCC1)CC2=O ZINC000587474450 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587474451 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3cccc4ccccc34)c1N1CCCC1)CC2=O ZINC000587474453 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc31)CC2=O ZINC000587474465 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc31)CC2=O ZINC000587474467 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)CC2=O ZINC000587474488 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)CC2=O ZINC000587474490 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)CC2=O ZINC000587474491 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)CC2=O ZINC000587474493 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)N(C(=O)OC(C)(C)C)c2ccccc21 ZINC000587474507 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)N(C(=O)OC(C)(C)C)c2ccccc21 ZINC000587474509 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc13)CC2=O ZINC000587474520 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc13)CC2=O ZINC000587474521 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(N3CCN(Cc4ccccc4)CC3)c1)CC2=O ZINC000587474522 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc13)CC2=O ZINC000587474523 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc13)CC2=O ZINC000587474524 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(N3CCN(Cc4ccccc4)CC3)c1)CC2=O ZINC000587474525 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000587474531 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000587474533 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)CC2=O ZINC000587474553 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC(C)(C)C)CC2=O ZINC000587474554 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)CC2=O ZINC000587474555 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC(C)(C)C)CC2=O ZINC000587474556 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC(C)(C)C)CC2=O ZINC000587474558 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC(C)(C)C)CC2=O ZINC000587474560 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)Nc3ccccc3)c3ccccc13)CC2=O ZINC000587474660 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)Nc3ccccc3)c3ccccc13)CC2=O ZINC000587474661 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)c1cc(C(C)=O)ccc1n3CC)CC2=O ZINC000587474682 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)c1cc(C(C)=O)ccc1n3CC)CC2=O ZINC000587474683 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cn(CC)nc1C)CC2=O ZINC000587474710 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cn(CC)nc1C)CC2=O ZINC000587474711 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(OC)c(OC)c1)CC2=O ZINC000587474714 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(OC)c(OC)c1)CC2=O ZINC000587474715 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)c1cc(C=O)ccc1n3Cc1ccccc1)CC2=O ZINC000587474720 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)c1cc(C=O)ccc1n3Cc1ccccc1)CC2=O ZINC000587474721 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1cccc(C)c1)CC2=O ZINC000587474765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1cccc(C)c1)CC2=O ZINC000587474769 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587474780 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OC)c(OC)c1)CC2=O ZINC000587474781 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OC)c(OC)c1)CC2=O ZINC000587474782 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587474794 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474829 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474834 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474836 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474838 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc1)CC2=O ZINC000587474920 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cnn(CC)c1C)CC2=O ZINC000587474972 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cnn(CC)c1C)CC2=O ZINC000587474973 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1cccc(OC)c1)CC2=O ZINC000587474990 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1cccc(OC)c1)CC2=O ZINC000587474991 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1Cc1cccc3ccccc13)CC2=O ZINC000587475006 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1Cc1cccc3ccccc13)CC2=O ZINC000587475007 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3C)nc1-c1ccc(CC)cc1)CC2=O ZINC000587475024 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3C)nc1-c1ccc(CC)cc1)CC2=O ZINC000587475025 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCOc3ccccc3OC)c3ccccc13)CC2=O ZINC000587475030 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCOc3ccccc3OC)c3ccccc13)CC2=O ZINC000587475031 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1OC)CC2=O ZINC000587475034 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1OC)CC2=O ZINC000587475035 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2c1c(C)nn2-c1ccc(C(=O)O)cc1 ZINC000587475036 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2c1c(C)nn2-c1ccc(C(=O)O)cc1 ZINC000587475037 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc1)CC2=O ZINC000587475060 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)CC2=O ZINC000587475070 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000587475075 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)CC2=O ZINC000587475076 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000587475077 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)CC2=O ZINC000587475078 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000587475079 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)CC2=O ZINC000587475080 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000587475081 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 ZINC000587475161 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 ZINC000587475168 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCC[C@H](C[C@H](O)c3ccccc3)N1C)CC2=O ZINC000587475225 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCC[C@H](C[C@@H](O)c3ccccc3)N1C)CC2=O ZINC000587475227 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCC[C@@H](C[C@@H](O)c3ccccc3)N1C)CC2=O ZINC000587475230 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCC[C@@H](C[C@H](O)c3ccccc3)N1C)CC2=O ZINC000587475232 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587475324 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587475325 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(OC)cc1)CC2=O ZINC000587475348 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(OC)cc1)CC2=O ZINC000587475349 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(OCC)cc1)CC2=O ZINC000587475352 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(OCC)cc1)CC2=O ZINC000587475353 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)cc1)CC2=O ZINC000587475390 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)cc1)CC2=O ZINC000587475392 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C)CC2=O ZINC000587475400 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C)CC2=O ZINC000587475403 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23 ZINC000587475522 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(N3CCOCC3)c3cccc1c23 ZINC000587475526 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(C)c(C)c1)CC2=O ZINC000587475644 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(C)c(C)c1)CC2=O ZINC000587475645 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(CC)cc1)CC2=O ZINC000587475677 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(CC)cc1)CC2=O ZINC000587475678 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)CC2=O ZINC000587475728 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)CC2=O ZINC000587475729 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 ZINC000587475783 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 ZINC000587475784 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)OC)o3)c(OC)c1)CC2=O ZINC000587475791 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)OC)o3)c(OC)c1)CC2=O ZINC000587475792 JK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587475793 JK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587475794 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OCc3ccc(C(=O)OC)o3)ccc3ccccc13)CC2=O ZINC000587475860 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCc3ccc(C(=O)OC)o3)ccc3ccccc13)CC2=O ZINC000587475874 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCc3ccc(C(=O)OC)o3)c(OC)c1)CC2=O ZINC000587475892 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCc3ccc(C(=O)OC)o3)c(OC)c1)CC2=O ZINC000587475901 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3ccccc3c1)([C@@H](CCC)N1CCCC1)CC2=O ZINC000587475909 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3ccccc3c1)([C@H](CCC)N1CCCC1)CC2=O ZINC000587475917 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3ccccc3c1)([C@H](CCC)N1CCCC1)CC2=O ZINC000587475920 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3ccccc3c1)([C@@H](CCC)N1CCCC1)CC2=O ZINC000587475922 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(C(=O)OC)o3)cc1)CC2=O ZINC000587476005 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(C(=O)OC)o3)cc1)CC2=O ZINC000587476006 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(C#N)c3)c3ccc(C(=O)OC)cc13)CC2=O ZINC000587476107 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(C#N)c3)c3ccc(C(=O)OC)cc13)CC2=O ZINC000587476109 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C)cc1)CC2=O ZINC000587476117 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C)cc1)CC2=O ZINC000587476119 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C)cc1)CC2=O ZINC000587476121 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C)cc1)CC2=O ZINC000587476122 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1CCCC1)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587476136 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1CCCC1)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587476138 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nc3ccccc3n1Cc1ccccc1)CC2=O ZINC000587476204 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nc3ccccc3n1Cc1ccccc1)CC2=O ZINC000587476211 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCO3)CC2=O ZINC000587476228 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCO3)CC2=O ZINC000587476229 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccccc1)CC2=O ZINC000587476267 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccccc1)CC2=O ZINC000587476268 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)OCC)cc3)c(OC)c1)CC2=O ZINC000587476286 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)OCC)cc3)c(OC)c1)CC2=O ZINC000587476287 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587476290 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587476291 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccco1 ZINC000587476327 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccco1 ZINC000587476328 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccco1 ZINC000587476331 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccco1 ZINC000587476332 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587476339 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587476341 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(C)C)C1)CC2=O ZINC000587476342 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(C)C)C1)CC2=O ZINC000587476348 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(C)C)C1)CC2=O ZINC000587476351 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(C)C)C1)CC2=O ZINC000587476353 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587476444 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587476448 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587476451 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587476454 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C1)CC2=O ZINC000587476466 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C1)CC2=O ZINC000587476467 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C1)CC2=O ZINC000587476470 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C1)CC2=O ZINC000587476473 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)N3CCC(OCC)CC3)c1)CC2=O ZINC000587476549 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)N3CCC(OCC)CC3)c1)CC2=O ZINC000587476554 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587476715 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587476717 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587476719 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587476722 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCOc3cc(C)cc(C)c3)c3ccccc13)CC2=O ZINC000587476896 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCOc3cc(C)cc(C)c3)c3ccccc13)CC2=O ZINC000587476900 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(OC)cc13)CC2=O ZINC000587476911 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(OC)cc13)CC2=O ZINC000587476916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1c(C)nn(CC)c1C)CC2=O ZINC000587476959 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1c(C)nn(CC)c1C)CC2=O ZINC000587476963 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nc3ccccc3n1Cc1ccon1)CC2=O ZINC000587476996 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cccc(OCc4ccccc4)c3)cc1)CC2=O ZINC000587477000 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cccc(OCc4ccccc4)c3)cc1)CC2=O ZINC000587477001 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nc3ccccc3n1Cc1ccon1)CC2=O ZINC000587477007 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OCC(C)C)cc1)CC2=O ZINC000587477023 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OCC(C)C)cc1)CC2=O ZINC000587477030 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn(C)c1Oc1ccc(C)cc1)CC2=O ZINC000587477038 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn(C)c1Oc1ccc(C)cc1)CC2=O ZINC000587477045 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccccc1OC)CC2=O ZINC000587477046 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccccc1OC)CC2=O ZINC000587477049 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OC)cc1)CC2=O ZINC000587477051 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OC)cc1)CC2=O ZINC000587477053 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1C)CC2=O ZINC000587477065 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1C)CC2=O ZINC000587477067 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cccc(OCc4ccccc4)c3)c1)CC2=O ZINC000587477092 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cccc(OCc4ccccc4)c3)c1)CC2=O ZINC000587477093 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587477102 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587477111 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cccc4ccccc34)cc1)CC2=O ZINC000587477116 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cccc4ccccc34)cc1)CC2=O ZINC000587477117 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(OCC)c(OCC)c3)cc1)CC2=O ZINC000587477151 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(OCC)c(OCC)c3)cc1)CC2=O ZINC000587477152 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc4ccccc34)c(OCC)c1)CC2=O ZINC000587477157 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc4ccccc34)c(OCC)c1)CC2=O ZINC000587477158 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)CC2=O ZINC000587477211 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)CC2=O ZINC000587477212 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)CC2=O ZINC000587477213 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)CC2=O ZINC000587477215 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C ZINC000587477250 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1C ZINC000587477253 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C ZINC000587477254 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H]1C ZINC000587477255 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000587477439 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000587477450 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587477490 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587477492 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)CC2=O ZINC000587477589 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)CC2=O ZINC000587477590 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587477614 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587477615 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)c(OCC)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587477669 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)c(OCC)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587477671 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC=C(C)C)cc1OCC(=O)OCC)CC2=O ZINC000587477713 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccc(OC)cc3)c(OC)c1)CC2=O ZINC000587477719 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC=C(C)C)cc1OCC(=O)OCC)CC2=O ZINC000587477722 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccc(OC)cc3)c(OC)c1)CC2=O ZINC000587477724 JK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587477743 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587477748 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587477750 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587477752 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587477774 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587477776 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)c(C)c1)CC2=O ZINC000587477779 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)c(C)c1)CC2=O ZINC000587477782 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccc(C)cc3)c(OCC)c1)CC2=O ZINC000587477791 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(-c3ccccc3)c1N)(c1c[nH]c3ccccc13)CC2=O ZINC000587477795 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccc(C)cc3)c(OCC)c1)CC2=O ZINC000587477800 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(-c3ccccc3)c1N)(c1c[nH]c3ccccc13)CC2=O ZINC000587477810 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(OC)ccc13)CC2=O ZINC000587477825 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(OC)ccc13)CC2=O ZINC000587477826 JK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1cccc(OCOC)c1)(c1cccc(OCOC)c1)CC2=O ZINC000587477849 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(C(=O)OC)c13)CC2=O ZINC000587477938 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(C(=O)OC)c13)CC2=O ZINC000587477939 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCc4ccccc43)c(OC)c1)CC2=O ZINC000587477976 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCc4ccccc43)c(OC)c1)CC2=O ZINC000587477979 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(O)cc21 ZINC000587478052 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(O)cc21 ZINC000587478054 JK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(O)cc21 ZINC000587478056 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(O)cc21 ZINC000587478057 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2cccc(O)c2)Nc2ccc3ccccc3c21 ZINC000587478196 JK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478206 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2cccc(O)c2)Nc2ccc3ccccc3c21 ZINC000587478226 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478232 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCCCCCCCCCO)cc1)CC2=O ZINC000587478234 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2cccc(O)c2)Nc2ccc3ccccc3c21 ZINC000587478235 JK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478239 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2cccc(O)c2)Nc2ccc3ccccc3c21 ZINC000587478241 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587478242 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478246 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587478248 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCCCCCCCCCO)cc1)CC2=O ZINC000587478253 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OCOC)c1)(c1ccccc1OCOC)CC2=O ZINC000587478415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OCOC)c1)(c1ccccc1OCOC)CC2=O ZINC000587478419 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587478510 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587478513 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c1)CC2=O ZINC000587478533 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c1)CC2=O ZINC000587478537 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1cc(C)c(C)cc1C)CC2=O ZINC000587478568 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587478588 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1cc(C)c(C)cc1C)CC2=O ZINC000587478592 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587478596 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCOc3cccc(C(C)=O)c3)c1)CC2=O ZINC000587478695 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCOc3cccc(C(C)=O)c3)c1)CC2=O ZINC000587478712 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]2[C@H]2[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587478765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]2[C@H]2[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587478797 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587478893 JK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587478895 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000587478941 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000587478946 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1Cc1ccc3ccccc3c1)CC2=O ZINC000587479043 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1Cc1ccc3ccccc3c1)CC2=O ZINC000587479046 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)CC2=O ZINC000587479080 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OC(C)C)cc1)CC2=O ZINC000587479081 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cc(OC)ccc1OC)CC2=O ZINC000587479102 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cc(OC)ccc1OC)CC2=O ZINC000587479103 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(OCc3ccccc3)c1)CC2=O ZINC000587479154 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(OCc3ccccc3)c1)CC2=O ZINC000587479155 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)ccc1OCc1ccccc1)CC2=O ZINC000587479188 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)ccc1OCc1ccccc1)CC2=O ZINC000587479189 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1cccc(OCc3ccccc3)c1)CC2=O ZINC000587479237 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1cccc(OCc3ccccc3)c1)CC2=O ZINC000587479239 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC3)([C@@H](C)n1c(C#N)nc3ccccc31)CC2=O ZINC000587479358 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC3)([C@@H](C)n1c(C#N)nc3ccccc31)CC2=O ZINC000587479364 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC3)([C@H](C)n1c(C#N)nc3ccccc31)CC2=O ZINC000587479367 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC3)([C@H](C)n1c(C#N)nc3ccccc31)CC2=O ZINC000587479369 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)c1ccccc1n3Cc1ccccc1)CC2=O ZINC000587479428 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)c1ccccc1n3Cc1ccccc1)CC2=O ZINC000587479433 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3oc1=O)CC2=O ZINC000587479437 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3oc1=O)CC2=O ZINC000587479441 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1c(O)c1ccccc1c2O ZINC000587479451 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1c(O)c1ccccc1c2O ZINC000587479461 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC1)CC2=O ZINC000587479535 JK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587479554 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)CC2=O ZINC000587479782 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)CC2=O ZINC000587479789 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 ZINC000587479872 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 ZINC000587479875 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C4=CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]31C)CC2=O ZINC000587479916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C4=CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]31C)CC2=O ZINC000587479922 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3C4=CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]31C)CC2=O ZINC000587479929 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3C4=CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]31C)CC2=O ZINC000587479937 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(C(=O)OC)o1)CC2=O ZINC000587479979 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(C(=O)OC)o1)CC2=O ZINC000587479982 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587480153 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587480158 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1CCC(=O)OCc1ccccc1)CC2=O ZINC000587480200 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c1)CC2=O ZINC000587480208 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1CCC(=O)OCc1ccccc1)CC2=O ZINC000587480209 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c1)CC2=O ZINC000587480214 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(C)(C)C)cc3)c(OCC)c1)CC2=O ZINC000587480243 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(C)(C)C)cc3)c(OCC)c1)CC2=O ZINC000587480245 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1ccccc1OCOC)CC2=O ZINC000587480282 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1ccccc1OCOC)CC2=O ZINC000587480283 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587480342 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587480346 JK Annotated Mild CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587480396 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587480397 JK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587480399 JK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587480401 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587480415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587480416 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587480417 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC[C@H](C)CCCC(C)C)c(C=O)cc1OC)CC2=O ZINC000587480420 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587480421 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC[C@@H](C)CCCC(C)C)c(C=O)cc1OC)CC2=O ZINC000587480422 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587480423 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(OCC[C@H](C)CCCC(C)C)c(C=O)cc1OC)CC2=O ZINC000587480424 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCC[C@@H](C)CCCC(C)C)c(C=O)cc1OC)CC2=O ZINC000587480425 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587480426 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587480499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587480502 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587480510 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587480513 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4C(=O)C[C@]31C)CC2=O ZINC000587480515 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4C(=O)C[C@@]31C)CC2=O ZINC000587480518 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@]31C)CC2=O ZINC000587480521 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]31C)CC2=O ZINC000587480522 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)c(OC)c3)[nH]c3ccccc13)CC2=O ZINC000587480612 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)c(OC)c3)[nH]c3ccccc13)CC2=O ZINC000587480613 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCc3ccccc31)(c1c[nH]c3ccccc13)CC2=O ZINC000587480719 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000587480721 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N1CCc3ccccc31)(c1c[nH]c3ccccc13)CC2=O ZINC000587480723 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000587480733 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(ccc3c(C)cccc23)-c2occ(C)c21 ZINC000587480759 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(ccc3c(C)cccc23)-c2occ(C)c21 ZINC000587480764 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccco1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587480785 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccco1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587480790 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccco1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587480794 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccco1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587480801 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587480810 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587480816 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587480820 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587480823 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)c(OC)c2)Oc2ccc(C)cc21 ZINC000587480828 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OC)c(OC)c2)Oc2ccc(C)cc21 ZINC000587480836 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)c(OC)c2)Oc2ccc(C)cc21 ZINC000587480843 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OC)c(OC)c2)Oc2ccc(C)cc21 ZINC000587480848 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)O)cc3)c(OC)c1)CC2=O ZINC000587480998 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)O)cc3)c(OC)c1)CC2=O ZINC000587480999 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)o1)CC2=O ZINC000587481036 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)o1)CC2=O ZINC000587481047 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(S(C)(=O)=O)c1)(c1cc(C)ccc1C)CC2=O ZINC000587481051 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(-c4ccccc4)cc3)cc1)CC2=O ZINC000587481091 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(-c4ccccc4)cc3)cc1)CC2=O ZINC000587481105 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(S(C)(=O)=O)c1)(c1cc(C)ccc1C)CC2=O ZINC000587481109 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C)=C(c2ccccc2)Oc2c(C(=O)O)cccc21 ZINC000587481227 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C)=C(c2ccccc2)Oc2c(C(=O)O)cccc21 ZINC000587481231 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(c21)CCCC3(C)C ZINC000587481241 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(c21)CCCC3(C)C ZINC000587481250 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587481265 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@](C)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587481276 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)CC2=O ZINC000587481295 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)CC2=O ZINC000587481296 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21 ZINC000587481301 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21 ZINC000587481305 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1)CC2=O ZINC000587481372 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1)CC2=O ZINC000587481385 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)OCC)CC2=O ZINC000587481409 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)OCC)CC2=O ZINC000587481410 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)OCC)CC2=O ZINC000587481411 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)OCC)CC2=O ZINC000587481412 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3cc(C)c(C)cc3C)c(OC)c1)CC2=O ZINC000587481413 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3cc(C)c(C)cc3C)c(OC)c1)CC2=O ZINC000587481414 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3cccc(C)c3)c(OCC)c1)CC2=O ZINC000587481421 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3cccc(C)c3)c(OCC)c1)CC2=O ZINC000587481423 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(O)cc2Oc2ccc3ccccc3c21 ZINC000587481433 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(O)cc2Oc2ccc3ccccc3c21 ZINC000587481437 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1ccc(C)c(C)c1)CC2=O ZINC000587481496 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587481498 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1ccc(C)c(C)c1)CC2=O ZINC000587481500 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587481507 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3c(C)ccc(C)c13)CC2=O ZINC000587481711 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3c(C)ccc(C)c13)CC2=O ZINC000587481714 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC34CC5CC(CC(C5)C3)C4)c(OCC)c1)CC2=O ZINC000587481811 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC34CC5CC(CC(C5)C3)C4)c(OCC)c1)CC2=O ZINC000587481817 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)c3c1OCC(=O)N3)CC2=O ZINC000587481837 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)c3c1OCC(=O)N3)CC2=O ZINC000587481839 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@@H]1c1ccc(OC)c(OC)c1 ZINC000587481840 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@H]1c1ccc(OC)c(OC)c1 ZINC000587481843 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@H]1c1ccc(OC)c(OC)c1 ZINC000587481846 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@@H]1c1ccc(OC)c(OC)c1 ZINC000587481849 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H]1CCCC[C@H]1C(=O)O)(c1ccccc1OC)CC2=O ZINC000587481964 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H]1CCCC[C@H]1C(=O)O)(c1ccccc1OC)CC2=O ZINC000587481965 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc1)CC2=O ZINC000587481973 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc1)CC2=O ZINC000587481974 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(OC)cc1)CC2=O ZINC000587482186 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(OC)cc1)CC2=O ZINC000587482189 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)c(OC)cc21 ZINC000587482219 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)c(OC)cc21 ZINC000587482220 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCOc3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587482267 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCOc3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587482269 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCOc3cccc(C(=O)OC)c3)c1)CC2=O ZINC000587482299 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCOc3cccc(C(=O)OC)c3)c1)CC2=O ZINC000587482301 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(N=Nc3cccc(C(=O)O)c3)c1C)CC2=O ZINC000587482321 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(N=Nc3cccc(C(=O)O)c3)c1C)CC2=O ZINC000587482349 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(C)cc13)CC2=O ZINC000587482355 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(C)cc13)CC2=O ZINC000587482361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)c(OC)c3)Oc3ccccc31)CC2=O ZINC000587482410 JK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)c(OC)c3)Oc3ccccc31)CC2=O ZINC000587482420 JK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482427 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(C=O)cc1OCC[C@H](C)CCCC(C)C)CC2=O ZINC000587482435 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(C=O)cc1OCC[C@@H](C)CCCC(C)C)CC2=O ZINC000587482439 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(C=O)cc1OCC[C@H](C)CCCC(C)C)CC2=O ZINC000587482442 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(C=O)cc1OCC[C@@H](C)CCCC(C)C)CC2=O ZINC000587482444 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC1)CC2=O ZINC000587482481 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC1)CC2=O ZINC000587482497 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1cccc(Cl)c1)(CP(=O)(OC)OC)CC2=O ZINC000587482502 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1cccc(Cl)c1)(CP(=O)(OC)OC)CC2=O ZINC000587482514 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(C(=O)OCC)c(O)nc3cccc1c23 ZINC000587482544 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(C(=O)OCC)c(O)nc3cccc1c23 ZINC000587482555 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587482571 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587482576 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1CCCc2ccccc21 ZINC000587482705 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H]1CCCc2ccccc21 ZINC000587482710 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H]1CCCc2ccccc21 ZINC000587482717 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1cccc(OCOC)c1)CC2=O ZINC000587482718 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000587482721 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1cccc(OCOC)c1)CC2=O ZINC000587482722 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(OC)cccc1OCc1ccc(OC)cc1)CC2=O ZINC000587482755 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(OC)cccc1OCc1ccc(OC)cc1)CC2=O ZINC000587482769 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(OC)ccc3OC)[nH]c3ccccc13)CC2=O ZINC000587482803 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(OC)ccc3OC)[nH]c3ccccc13)CC2=O ZINC000587482806 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587482887 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587482890 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587482892 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587482895 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587482897 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587482900 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587482902 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587482905 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(ccc3c2CCCC3(C)C)-c2occ(C)c21 ZINC000587482967 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(ccc3c2CCCC3(C)C)-c2occ(C)c21 ZINC000587482970 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c1)CC2=O ZINC000587483007 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587483009 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c1)CC2=O ZINC000587483010 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587483011 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc3oc(C(=O)OCC)c(C)c3c1)CC2=O ZINC000587483121 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cc(C=O)ccc3OC)c(OC)c1)CC2=O ZINC000587483124 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cc(C=O)ccc3OC)c(OC)c1)CC2=O ZINC000587483126 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587483140 JK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587483142 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587483162 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587483165 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3OCC)c1)CC2=O ZINC000587483192 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3OCC)c1)CC2=O ZINC000587483195 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(C)ccc3C(C)C)c1)CC2=O ZINC000587483197 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(C)ccc3C(C)C)c1)CC2=O ZINC000587483201 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)c(C(=O)OC)c1)CC2=O ZINC000587483328 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)c(C(=O)OC)c1)CC2=O ZINC000587483338 JK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32CC(=O)c3ccc(O)c(CCC)c3O2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587483345 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OCc3cccc(C(=O)O)c3)cc1)CC2=O ZINC000587483351 JK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32CC(=O)c3ccc(O)c(CCC)c3O2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587483352 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OCc3cccc(C(=O)O)c3)cc1)CC2=O ZINC000587483355 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccccc1COc1ccccc1C)CC2=O ZINC000587483361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccccc1COc1ccccc1C)CC2=O ZINC000587483369 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(OC)cc2)=COc2cc(O)ccc21 ZINC000587483370 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(OC)cc2)=COc2cc(O)ccc21 ZINC000587483379 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(OC)cc1C=O ZINC000587483419 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587483420 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(OC)cc1C=O ZINC000587483423 JK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(OC)cc1C=O ZINC000587483427 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587483431 JK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(OC)cc1C=O ZINC000587483432 JK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587483438 JK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587483443 JK Annotated Anodyne CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587483450 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587483453 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587483455 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587483462 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC(C)C)cc2Oc2ccc(C(=O)O)cc21 ZINC000587483504 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC(C)C)cc2Oc2ccc(C(=O)O)cc21 ZINC000587483523 JK Annotated Anodyne CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587483551 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc3ccccc3c1)(c1conc1C(=O)OCC)CC2=O ZINC000587483580 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3ccccc3c1)(c1conc1C(=O)OCC)CC2=O ZINC000587483583 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(ccn3S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587483588 JK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587483601 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587483602 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587483603 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc3c(ccn3S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587483606 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O[C@@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587483741 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O[C@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587483744 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O[C@@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587483749 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NS(=O)(=O)c1cccs1)CC2=O ZINC000587483765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NS(=O)(=O)c1cccs1)CC2=O ZINC000587483774 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587483838 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587483848 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(C)cc1C)CC2=O ZINC000587483861 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(C)cc1C)CC2=O ZINC000587483863 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)cc3ccc(CC)cn13)CC2=O ZINC000587483886 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)cc3ccc(CC)cn13)CC2=O ZINC000587483890 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)cc3ccc(CC)cn13)CC2=O ZINC000587483897 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)cc3ccc(CC)cn13)CC2=O ZINC000587483901 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc3ccccc3cc2Oc2cc(O)cc(O)c21 ZINC000587484011 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc3ccccc3cc2Oc2cc(O)cc(O)c21 ZINC000587484012 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc3oc(C(=O)OCC)c(C)c3c1)CC2=O ZINC000587484034 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(OCC)c(OCC)c3)c1)CC2=O ZINC000587484093 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(OCC)c(OCC)c3)c1)CC2=O ZINC000587484096 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c1)CC2=O ZINC000587484099 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c1)CC2=O ZINC000587484118 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(/C=C/c3cccc(OC)c3)oc3ccc(O)cc13)CC2=O ZINC000587484151 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(/C=C/c3cccc(OC)c3)oc3ccc(O)cc13)CC2=O ZINC000587484154 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(/C=C\c3cccc(OC)c3)oc3ccc(O)cc13)CC2=O ZINC000587484157 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(/C=C\c3cccc(OC)c3)oc3ccc(O)cc13)CC2=O ZINC000587484158 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(ccc3c2CCC[C@]3(C)CO)-c2occ(C)c21 ZINC000587484178 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(ccc3c2CCC[C@]3(C)CO)-c2occ(C)c21 ZINC000587484193 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](Cc1cccc(OC)c1)C(=O)OCC)CC2=O ZINC000587484207 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@H](Cc1cccc(OC)c1)C(=O)OCC)CC2=O ZINC000587484211 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](Cc1cccc(OC)c1)C(=O)OCC)CC2=O ZINC000587484213 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](Cc1cccc(OC)c1)C(=O)OCC)CC2=O ZINC000587484215 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)(c1cccc(OC)c1OC)CC2=O ZINC000587484254 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)(c1cccc(OC)c1OC)CC2=O ZINC000587484267 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(O)c(OC)c1 ZINC000587484315 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(O)c(OC)c1 ZINC000587484316 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(O)c(OC)c1 ZINC000587484317 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(O)c(OC)c1 ZINC000587484318 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N(C)c1ccccc1)(c1c[nH]c3ccccc13)CC2=O ZINC000587484361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N(C)c1ccccc1)(c1c[nH]c3ccccc13)CC2=O ZINC000587484362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O[C@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587484442 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc13)CC2=O ZINC000587484480 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc13)CC2=O ZINC000587484483 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)cc(OC)c21 ZINC000587484569 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)cc(OC)c21 ZINC000587484572 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587484623 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)cc3OC)Oc3ccc(OC)cc31)CC2=O ZINC000587484626 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587484627 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)cc3OC)Oc3ccc(OC)cc31)CC2=O ZINC000587484634 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCC(C(C)(C)C)CC2)Oc2cc(O)ccc21 ZINC000587484692 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O[C@H](C(=O)OC)c3ccccc3)c1)CC2=O ZINC000587484693 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O[C@@H](C(=O)OC)c3ccccc3)c1)CC2=O ZINC000587484695 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O[C@@H](C(=O)OC)c3ccccc3)c1)CC2=O ZINC000587484697 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O[C@H](C(=O)OC)c3ccccc3)c1)CC2=O ZINC000587484699 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCC(C(C)(C)C)CC2)Oc2cc(O)ccc21 ZINC000587484701 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOc3ccc(C=O)cc3)cc1)CC2=O ZINC000587484706 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOc3ccc(C=O)cc3)cc1)CC2=O ZINC000587484711 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)CC2=O ZINC000587484728 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)CC2=O ZINC000587484736 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O ZINC000587484814 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O ZINC000587484827 JK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCCN(S(=O)(=O)c3ccc(C)cc3)c3ccccc31)CC2=O ZINC000587484869 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(S(=O)(=O)c3ccc(C)cc3)c3ccccc31)CC2=O ZINC000587484871 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]31C)CC2=O ZINC000587484879 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]31C)CC2=O ZINC000587484916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 ZINC000587484966 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 ZINC000587484973 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(=O)(=O)c1ccc(Cl)cc1)(C(C)(C)C)CC2=O ZINC000587484989 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(=O)(=O)c1ccc(Cl)cc1)(C(C)(C)C)CC2=O ZINC000587484992 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CCC5=C(CC=C(OC)C5)[C@H]4CC[C@@]31CC)CC2=O ZINC000587485028 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CCC5=C(CC=C(OC)C5)[C@H]4CC[C@@]31CC)CC2=O ZINC000587485030 JK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485036 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485038 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485040 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485043 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCC3=C1[C@H](C1C(=O)CCCC1=O)c1ccccc1O3)CC2=O ZINC000587485081 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC3=C1[C@@H](C1C(=O)CCCC1=O)c1ccccc1O3)CC2=O ZINC000587485082 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC3=C1[C@@H](C1C(=O)CCCC1=O)c1ccccc1O3)CC2=O ZINC000587485083 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC3=C1[C@H](C1C(=O)CCCC1=O)c1ccccc1O3)CC2=O ZINC000587485084 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485188 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485191 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485193 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485195 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485196 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(c21)CCC[C@]3(C)CO ZINC000587485349 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(c21)CCC[C@]3(C)CO ZINC000587485356 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31CC)CC2=O ZINC000587485383 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31CC)CC2=O ZINC000587485388 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3=O ZINC000587485393 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3=O ZINC000587485400 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccc(C)c(C)c3)c(OC)c1)CC2=O ZINC000587485420 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccc(C)c(C)c3)c(OC)c1)CC2=O ZINC000587485423 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587485424 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587485430 JK Annotated Mild CCCc1c(O)ccc2c1OC1(CC2=O)c2cc3ccccc3cc2C(=O)c2cc3ccccc3cc21 ZINC000587485477 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)CC(=O)c2ccc(O)c(CCC)c2O3)CC1 ZINC000587485491 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccc(C)cc3)c(OCC)c1)CC2=O ZINC000587485493 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccc(C)cc3)c(OCC)c1)CC2=O ZINC000587485494 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)CC2=O ZINC000587485589 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)CC2=O ZINC000587485598 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccccc2)=COc2cc(OC(C)C)ccc21 ZINC000587485705 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccccc2)=COc2cc(OC(C)C)ccc21 ZINC000587485712 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O ZINC000587485733 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O ZINC000587485737 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O ZINC000587485739 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O ZINC000587485742 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485813 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485816 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587485818 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(ccc3c(C)cccc23)C2=C1[C@@H](C)CO2 ZINC000587485868 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(ccc3c(C)cccc23)C2=C1[C@@H](C)CO2 ZINC000587485870 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc3ccccc13)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587485916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc3ccccc13)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587485919 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc13)CC2=O ZINC000587485923 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc13)CC2=O ZINC000587485925 JK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCCC ZINC000587485932 JK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCCC ZINC000587485939 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587485969 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587485982 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587485985 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccc3oc4ccccc4c3c2)N2CCC1CC2 ZINC000587485988 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587486066 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587486072 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(c21)CCCC3(C)C ZINC000587486101 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(C)coc2-c2ccc3c(c21)CCCC3(C)C ZINC000587486107 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc3ccccc3c2Oc2cc(O)cc(O)c21 ZINC000587486183 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc3ccccc3c2Oc2cc(O)cc(O)c21 ZINC000587486190 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cc2OC)cc1 ZINC000587486295 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cc2OC)cc1 ZINC000587486307 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCC(C)CC2)Oc2cc(OCC(=O)O)ccc21 ZINC000587486446 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCC(C)CC2)Oc2cc(OCC(=O)O)ccc21 ZINC000587486455 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c3nc4ccccc4n3c1)(c1ccccc1O)CC2=O ZINC000587486462 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c3nc4ccccc4n3c1)(c1ccccc1O)CC2=O ZINC000587486466 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3nc(NC(=O)OC)[nH]c3c1)CC2=O ZINC000587486566 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3nc(NC(=O)OC)[nH]c3c1)CC2=O ZINC000587486578 JK Annotated Anodyne CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587486727 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587486729 JK Annotated Mild CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587486752 JK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587486754 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCOc3cccc(C(=O)OC)c3)c1)CC2=O ZINC000587486757 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCOc3cccc(C(=O)OC)c3)c1)CC2=O ZINC000587486759 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)CC2=O ZINC000587486882 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)CC2=O ZINC000587486887 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)CC2=O ZINC000587486899 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)CC2=O ZINC000587486916 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(OC)c21 ZINC000587486926 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(OC)c21 ZINC000587486930 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)CC2=O ZINC000587487004 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc13)CC2=O ZINC000587487008 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)CC)c(Cl)c1Cl)CC2=O ZINC000587487011 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)CC)c(Cl)c1Cl)CC2=O ZINC000587487044 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587487046 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587487047 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587487069 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587487087 JK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587487095 JK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587487104 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1ccc(C(=O)OC)o1)CC2=O ZINC000587487261 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1ccc(C(=O)OC)o1)CC2=O ZINC000587487265 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3o1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587487362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3o1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587487368 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@]3(C)O)C1)CC2=O ZINC000587487485 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@]3(C)O)C1)CC2=O ZINC000587487491 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(NC(=O)OC(C)(C)C)cc(C(=O)OC)c13)CC2=O ZINC000587487851 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(NC(=O)OC(C)(C)C)cc(C(=O)OC)c13)CC2=O ZINC000587487854 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn3c1nc(N1CCCC1)c1ccccc13)CC2=O ZINC000587487875 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn3c1nc(N1CCCC1)c1ccccc13)CC2=O ZINC000587487876 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3C)[nH]c3ccc(C(C)(C)C)cc13)CC2=O ZINC000587487903 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3C)[nH]c3ccc(C(C)(C)C)cc13)CC2=O ZINC000587487904 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)c(OC)c3OC)[nH]c3ccccc13)CC2=O ZINC000587487909 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)c(OC)c3OC)[nH]c3ccccc13)CC2=O ZINC000587487910 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@@H]1O[C@@H]1c1ccc(OC)cc1)CC2=O ZINC000587487921 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@H]1O[C@H]1c1ccc(OC)cc1)CC2=O ZINC000587487922 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@@H]1O[C@H]1c1ccc(OC)cc1)CC2=O ZINC000587487923 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@H]1O[C@@H]1c1ccc(OC)cc1)CC2=O ZINC000587487924 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587487938 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587487939 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3nc(-c4cccc(C#N)c4)[nH]c3c1)CC2=O ZINC000587488054 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3nc(-c4cccc(C#N)c4)[nH]c3c1)CC2=O ZINC000587488059 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(-c3ccc(C)cc3)nc3ccccn13)CC2=O ZINC000587488102 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(-c3ccc(C)cc3)nc3ccccn13)CC2=O ZINC000587488104 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(CC(C)C)cc3)nc3ncccn13)CC2=O ZINC000587488134 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1[nH]c3ccccc3c1C(=O)O)CC2=O ZINC000587488135 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(CC(C)C)cc3)nc3ncccn13)CC2=O ZINC000587488136 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1[nH]c3ccccc3c1C(=O)O)CC2=O ZINC000587488137 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3c4c(cccc14)CN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587488148 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3c4c(cccc14)CN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587488158 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587488251 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587488257 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc4cccnc34)c1)CC2=O ZINC000587488300 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc4cccnc34)c1)CC2=O ZINC000587488305 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@]1(C)C3 ZINC000587488498 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@]1(C)C3 ZINC000587488499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587488923 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587488924 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Sc3ccc(C)cc3)n(C)c3ccccc13)CC2=O ZINC000587488950 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Sc3ccc(C)cc3)n(C)c3ccccc13)CC2=O ZINC000587488951 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(Br)s1)CC2=O ZINC000587489046 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(Br)s1)CC2=O ZINC000587489049 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Sc3ccccc3Cl)n(C)c3ccccc13)CC2=O ZINC000587489092 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Sc3ccccc3Cl)n(C)c3ccccc13)CC2=O ZINC000587489098 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1Sc1ccc(Cl)cc1Cl)CC2=O ZINC000587489105 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Sc1ccc(Cl)cc1Cl)CC2=O ZINC000587489114 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Nc3ccccc3)sc(C(=O)OCC)c1C)CC2=O ZINC000587489150 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Nc3ccccc3)sc(C(=O)OCC)c1C)CC2=O ZINC000587489152 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ccccn1)(c1ccc3ccccc3c1)CC2=O ZINC000587489180 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ccccn1)(c1ccc3ccccc3c1)CC2=O ZINC000587489188 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)CSc3ccc4ccccc4c3)CC1)CC2=O ZINC000587489277 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1ccccc1O)CC2=O ZINC000587489281 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1ccccc1O)CC2=O ZINC000587489285 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccccc3)c(C(=O)OCC)c1Cl)CC2=O ZINC000587489415 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccccc3)c(C(=O)OCC)c1Cl)CC2=O ZINC000587489418 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587489482 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587489491 JK Annotated Anodyne CCCCCCCCCC1(CCCCCCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587489506 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC)c(S(=O)(=O)Cl)c1)CC2=O ZINC000587489519 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC)c(S(=O)(=O)Cl)c1)CC2=O ZINC000587489524 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)c(OC)c(C)c3)nc3ccccn13)CC2=O ZINC000587489668 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)CC2=O ZINC000587489670 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)CC2=O ZINC000587489674 JK Annotated Unstable CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)c(OC)c(C)c3)nc3ccccn13)CC2=O ZINC000587489676 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC2=O ZINC000587489703 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC2=O ZINC000587489714 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Sc1cc(OC)ccc1OC)CC2=O ZINC000587489766 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Sc1cc(OC)ccc1OC)CC2=O ZINC000587489772 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Sc1ccccc1C(=O)OC)CC2=O ZINC000587489819 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Sc1ccccc1C(=O)OC)CC2=O ZINC000587489825 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(COc3ccc(SC)cc3)OC=C1OC)CC2=O ZINC000587489846 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(COc3ccc(SC)cc3)OC=C1OC)CC2=O ZINC000587489849 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1scc(Br)c1C(=O)O)CC2=O ZINC000587489900 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1scc(Br)c1C(=O)O)CC2=O ZINC000587489901 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587490254 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587490259 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC2=O ZINC000587490268 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC2=O ZINC000587490272 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc(C(=O)OCC)c1C)CC2=O ZINC000587490433 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc(C(=O)OCC)c1C)CC2=O ZINC000587490440 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)CC2=O ZINC000587490470 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)CC2=O ZINC000587490474 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CSc1ccccn1)(c1ccc(Br)cc1)CC2=O ZINC000587490495 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ccccn1)(c1ccc(Br)cc1)CC2=O ZINC000587490496 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CSc3ccc(Cl)cc3)nn(C)c1Cl)CC2=O ZINC000587490501 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CSc3ccc(Cl)cc3)nn(C)c1Cl)CC2=O ZINC000587490506 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(SCC)cc1)CC2=O ZINC000587490510 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(SCC)cc1)CC2=O ZINC000587490514 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Br)cc3)o1)CC2=O ZINC000587490522 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Br)cc3)o1)CC2=O ZINC000587490526 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000587490620 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000587490621 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000587490622 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000587490623 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)COC31CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587490624 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)COC31CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587490625 JK Annotated Anodyne CCCC[C@@H](CC)CCC1(CC[C@H](CC)CCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587490687 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587490691 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587490694 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(C(=O)c3ccccc3)c1)CC2=O ZINC000587490707 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(C(=O)c3ccccc3)c1)CC2=O ZINC000587490709 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc1)CC2=O ZINC000587490722 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc1)CC2=O ZINC000587490732 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3cc(OC)c(OC)c(OC)c3)Oc3ccccc31)CC2=O ZINC000587490778 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3cc(OC)c(OC)c(OC)c3)Oc3ccccc31)CC2=O ZINC000587490780 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)CC2=O ZINC000587490858 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O ZINC000587490877 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O ZINC000587490878 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)CC2=O ZINC000587490888 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OCC)cc2)Oc2ccccc21 ZINC000587490937 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OCC)cc2)Oc2ccccc21 ZINC000587490939 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OCC)cc2)Oc2ccccc21 ZINC000587490943 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OCC)cc2)Oc2ccccc21 ZINC000587490948 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc3ccccc3n1)(c1ccc(OC)cc1)CC2=O ZINC000587490979 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc3ccccc3n1)(c1ccc(OC)cc1)CC2=O ZINC000587490980 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587491107 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587491112 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587491114 JK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587491117 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)c(O)c3)Oc3cc(O)ccc31)CC2=O ZINC000587491164 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CSc1nc3cc(Cl)c4cccnc4c3o1)CC2=O ZINC000587491166 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)c(O)c3)Oc3cc(O)ccc31)CC2=O ZINC000587491167 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1cc(C)cc3oc(=O)cc(CCC)c13)CC2=O ZINC000587491168 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CSc1nc3cc(Cl)c4cccnc4c3o1)CC2=O ZINC000587491169 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)cc(CCC)c13)CC2=O ZINC000587491171 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)cc(CCC)c13)CC2=O ZINC000587491173 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1cc(C)cc3oc(=O)cc(CCC)c13)CC2=O ZINC000587491175 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(SCc3ccc(Cl)c(Cl)c3)n1C)CC2=O ZINC000587491177 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(SCc3ccc(Cl)c(Cl)c3)n1C)CC2=O ZINC000587491179 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(SCc3ccccc3)ncn1-c1ccccc1)CC2=O ZINC000587491180 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(SCc3ccccc3)ncn1-c1ccccc1)CC2=O ZINC000587491183 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)cc(CC)c13)CC2=O ZINC000587491186 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CSc3ccc(C)cc3)nn(C)c1Cl)CC2=O ZINC000587491187 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)cc(CC)c13)CC2=O ZINC000587491188 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CSc3ccc(C)cc3)nn(C)c1Cl)CC2=O ZINC000587491189 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1cc(C)cc3oc(=O)cc(CC)c13)CC2=O ZINC000587491190 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1cc(C)cc3oc(=O)cc(CC)c13)CC2=O ZINC000587491193 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587491199 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587491201 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccccc1)CC2=O ZINC000587491210 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccccc1)CC2=O ZINC000587491211 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc1)CC2=O ZINC000587491229 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc1)CC2=O ZINC000587491231 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491234 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491237 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(=O)c3ccccc3)cc1)CC2=O ZINC000587491330 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(=O)c3ccccc3)cc1)CC2=O ZINC000587491331 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c[nH]c3cc(OC)c(OC)cc3c1=O)CC2=O ZINC000587491523 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c[nH]c3cc(OC)c(OC)cc3c1=O)CC2=O ZINC000587491524 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)CC2=O ZINC000587491535 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)CC2=O ZINC000587491536 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3cccnc3c1OC(=O)c1ccccc1)CC2=O ZINC000587491537 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccnc3c1OC(=O)c1ccccc1)CC2=O ZINC000587491538 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(Sc3ccc(Cl)cc3)o1)CC2=O ZINC000587491553 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(Sc3ccc(Cl)cc3)o1)CC2=O ZINC000587491554 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(ccc3c2CCCC3(C)C)C2=C1[C@@H](C)CO2 ZINC000587491585 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1sccc1Br)CC2=O ZINC000587491587 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(ccc3c2CCCC3(C)C)C2=C1[C@@H](C)CO2 ZINC000587491588 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1sccc1Br)CC2=O ZINC000587491589 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CSc1cccc(OC)c1OC)(c1ccccc1)CC2=O ZINC000587491601 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1cccc(OC)c1OC)(c1ccccc1)CC2=O ZINC000587491608 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(OC)cc2)=COc2cc(O)cc(O)c21 ZINC000587491609 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1sc(Cl)c(Cl)c1Cl)CC2=O ZINC000587491611 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(OC)cc2)=COc2cc(O)cc(O)c21 ZINC000587491613 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1sc(Cl)c(Cl)c1Cl)CC2=O ZINC000587491614 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCCC4)CC2=O ZINC000587491641 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCCC4)CC2=O ZINC000587491644 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1SC)([C@@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587491656 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1SC)([C@@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587491666 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000587491695 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000587491706 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)CC2=O ZINC000587491753 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)CC2=O ZINC000587491758 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)CC2=O ZINC000587491762 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)CC2=O ZINC000587491765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O ZINC000587491780 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O ZINC000587491788 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O ZINC000587491791 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O ZINC000587491793 JK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c21 ZINC000587491824 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c21 ZINC000587491827 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587491828 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1sc(Sc3nc4ccccc4o3)nc1Cl)CC2=O ZINC000587492026 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Sc3nc4ccccc4o3)nc1Cl)CC2=O ZINC000587492035 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccsc1N)CC2=O ZINC000587492119 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccsc1N)CC2=O ZINC000587492121 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Br)cc3)s1)CC2=O ZINC000587492147 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Br)cc3)s1)CC2=O ZINC000587492149 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3c(CC)cccc3CC)nc1Cl)CC2=O ZINC000587492161 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3c(CC)cccc3CC)nc1Cl)CC2=O ZINC000587492163 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587492174 JK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(Sc3ccc(Cl)cc3)n(C)c3ccccc13)CC2=O ZINC000587492214 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Sc3ccc(Cl)cc3)n(C)c3ccccc13)CC2=O ZINC000587492215 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(C=O)c(Br)c1Br)CC2=O ZINC000587492240 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(C=O)c(Br)c1Br)CC2=O ZINC000587492245 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccccc3Br)nc1C)CC2=O ZINC000587492294 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccccc3Br)nc1C)CC2=O ZINC000587492298 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSCC(=O)Nc1ccccc1Cl)(c1ccccc1)CC2=O ZINC000587492376 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSCC(=O)Nc1ccccc1Cl)(c1ccccc1)CC2=O ZINC000587492380 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)CC2=O ZINC000587492453 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)CC2=O ZINC000587492456 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)CC2=O ZINC000587492457 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)CC2=O ZINC000587492458 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(SCC(=O)O)c3cccc1c23 ZINC000587492471 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(SCC(=O)O)c3cccc1c23 ZINC000587492473 JK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1nc3ccccc3s1)(c1nc3ccccc3s1)CC2=O ZINC000587492478 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2=C(c3ccccc3)c3cc(O)c(O)cc3OC2=CC1=O ZINC000587492486 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2=C(c3ccccc3)c3cc(O)c(O)cc3OC2=CC1=O ZINC000587492489 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(OCC)cc1 ZINC000587492493 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCC(C)(C)C3)CC2=O ZINC000587492496 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(OCC)cc1 ZINC000587492497 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(OCC)cc1 ZINC000587492498 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(OCC)cc1 ZINC000587492499 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCC(C)(C)C3)CC2=O ZINC000587492502 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1C#N)(c1c(N)sc3c1CCC3)CC2=O ZINC000587492577 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1C#N)(c1c(N)sc3c1CCC3)CC2=O ZINC000587492586 JK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(Br)sc3ccc(Cl)cc13)CC2=O ZINC000587492670 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)sc3ccc(Cl)cc13)CC2=O ZINC000587492672 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(c1ccccc1OC[C@@H]1CO1)CC2=O ZINC000587492684 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(c1ccccc1OC[C@@H]1CO1)CC2=O ZINC000587492691 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCC(Cc4ccccc4)CC3)s1)CC2=O ZINC000587492693 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(c1ccccc1OC[C@H]1CO1)CC2=O ZINC000587492694 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(c1ccccc1OC[C@H]1CO1)CC2=O ZINC000587492696 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCC(Cc4ccccc4)CC3)s1)CC2=O ZINC000587492701 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc3c1CCSC3)CC2=O ZINC000587492732 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCCCC3)nc1-c1cccs1)CC2=O ZINC000587492735 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc3c1CCSC3)CC2=O ZINC000587492736 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCCCC3)nc1-c1cccs1)CC2=O ZINC000587492739 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCN(C)C3)CC2=O ZINC000587492812 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCN(C)C3)CC2=O ZINC000587492815 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3ccc(Cl)s3)cc1)CC2=O ZINC000587492820 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4c(c3)CCCC4)nc3ncccn13)CC2=O ZINC000587492833 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3ccc(Cl)s3)cc1)CC2=O ZINC000587492834 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4c(c3)CCCC4)nc3ncccn13)CC2=O ZINC000587492835 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C1)CC2=O ZINC000587492886 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](C1=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C1)CC2=O ZINC000587492891 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(CCCC(=O)O)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587492928 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CCCC(=O)O)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587492932 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sccc1NC(=O)c1ccccc1C(=O)O)CC2=O ZINC000587492946 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sccc1NC(=O)c1ccccc1C(=O)O)CC2=O ZINC000587492951 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(Sc3ccc(C)cc3)o1)CC2=O ZINC000587493065 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(Sc3ccc(C)cc3)o1)CC2=O ZINC000587493067 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(OC)cc(O)c21 ZINC000587493191 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(OC)cc(O)c21 ZINC000587493192 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1sc3ccc(Cl)cc3c1C)CC2=O ZINC000587493243 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1sc3ccc(Cl)cc3c1C)CC2=O ZINC000587493244 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccccc3OCc3ccccc3)cs1)CC2=O ZINC000587493245 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccccc3OCc3ccccc3)cs1)CC2=O ZINC000587493251 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493252 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493256 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc(OCc4ccccc4)cc3)cs1)CC2=O ZINC000587493273 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc(OCc4ccccc4)cc3)cs1)CC2=O ZINC000587493274 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)CC2=O ZINC000587493299 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)CC2=O ZINC000587493300 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)CC2=O ZINC000587493301 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)CC2=O ZINC000587493302 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(OC)cc3)n1)CC2=O ZINC000587493321 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(OC)cc3)n1)CC2=O ZINC000587493325 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3c(CC)cccc3CC)n1)CC2=O ZINC000587493339 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3c(CC)cccc3CC)n1)CC2=O ZINC000587493342 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3nc(NC(=O)OC)[nH]c3c1)(c1cccs1)CC2=O ZINC000587493377 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3nc(NC(=O)OC)[nH]c3c1)(c1cccs1)CC2=O ZINC000587493379 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(N(C(=O)c3ccc(C)cc3)C3CC3)nc1C)CC2=O ZINC000587493382 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(N(C(=O)c3ccc(C)cc3)C3CC3)nc1C)CC2=O ZINC000587493384 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s1)CC2=O ZINC000587493418 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s1)CC2=O ZINC000587493419 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Br)CC2=O ZINC000587493422 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Br)CC2=O ZINC000587493423 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)CC2=O ZINC000587493451 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CSc1nc(C)c(C)[nH]1)(c1c[nH]c3ccccc13)CC2=O ZINC000587493500 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nc(C)c(C)[nH]1)(c1c[nH]c3ccccc13)CC2=O ZINC000587493505 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1n[nH]c(C)n1)(c1ccc(Br)cc1)CC2=O ZINC000587493639 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1n[nH]c(C)n1)(c1ccc(Br)cc1)CC2=O ZINC000587493642 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493670 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493673 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587493706 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587493711 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587493713 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587493715 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC1=O)CC2=O ZINC000587493741 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC1=O)CC2=O ZINC000587493746 JK Annotated Clean CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)CC2=O ZINC000587493750 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O ZINC000587493787 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O ZINC000587493788 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O ZINC000587493789 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)CC2=O ZINC000587493792 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(OC)c(OC)c2)=C(C)Oc2cc(O)ccc21 ZINC000587493831 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(OC)c(OC)c2)=C(C)Oc2cc(O)ccc21 ZINC000587493833 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)s1)CC2=O ZINC000587493841 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)s1)CC2=O ZINC000587493842 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cccs1)(C(Br)Br)CC2=O ZINC000587493843 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cccs1)(C(Br)Br)CC2=O ZINC000587493857 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(-c3nc(C)c(C(=O)OCC)s3)ccc1O)CC2=O ZINC000587493881 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3nc(C)c(C(=O)OCC)s3)ccc1O)CC2=O ZINC000587493884 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc3cc(Br)ccc3o1)(c1cccs1)CC2=O ZINC000587493922 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc3cc(Br)ccc3o1)(c1cccs1)CC2=O ZINC000587493923 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(Sc3ccccc3OC)cc1Cl)CC2=O ZINC000587493946 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(Sc3ccccc3OC)cc1Cl)CC2=O ZINC000587493947 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1scc(Br)c1Br)CC2=O ZINC000587493972 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1scc(Br)c1Br)CC2=O ZINC000587493973 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cccc1Sc1cc(OC)ccc1OC)CC2=O ZINC000587493996 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cccc1Sc1cc(OC)ccc1OC)CC2=O ZINC000587493997 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@H](OC(C)=O)c1c(OC)ccc3ccc(=O)oc13)CC2=O ZINC000587494042 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@@H](OC(C)=O)c1c(OC)ccc3ccc(=O)oc13)CC2=O ZINC000587494048 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)CC2=O ZINC000587494051 JK Annotated Clean CCCc1c(O)ccc2c1O[C@](C(C)C)([C@H](OC(C)=O)c1c(OC)ccc3ccc(=O)oc13)CC2=O ZINC000587494052 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@@H](OC(C)=O)c1c(OC)ccc3ccc(=O)oc13)CC2=O ZINC000587494053 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)CC2=O ZINC000587494054 JK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cccnc1Sc1ccc(Br)cc1)CC2=O ZINC000587494087 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)CC2=O ZINC000587494090 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Sc1ccc(Br)cc1)CC2=O ZINC000587494091 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)CC2=O ZINC000587494093 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)CC2=O ZINC000587494094 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)CC2=O ZINC000587494097 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)CC2=O ZINC000587494099 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CN(C(C)=O)C3)CC2=O ZINC000587494123 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CN(C(C)=O)C3)CC2=O ZINC000587494126 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494134 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494136 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1(CC(=O)O)CCCCC1)(c1ccc(Cl)s1)CC2=O ZINC000587494162 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1(CC(=O)O)CCCCC1)(c1ccc(Cl)s1)CC2=O ZINC000587494167 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCCCC3)CC2=O ZINC000587494170 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCCCC3)CC2=O ZINC000587494177 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587494218 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587494220 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587494222 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587494225 JK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(Cl)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494235 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(Cl)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494249 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(Cl)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494266 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCCC4)CC2=O ZINC000587494303 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCCC4)CC2=O ZINC000587494304 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)CC2=O ZINC000587494305 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(Br)s1)CC2=O ZINC000587494307 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(Br)s1)CC2=O ZINC000587494308 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)CC2=O ZINC000587494310 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)CC2=O ZINC000587494311 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)c(C)n(Cc3cccs3)c1C)CC2=O ZINC000587494327 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)c(C)n(Cc3cccs3)c1C)CC2=O ZINC000587494328 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)CC2=O ZINC000587494339 JK Annotated Bother CCCc1c(O)ccc2c1O[C@](CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587494340 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587494341 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CSc1nnc(-c3cccc(Br)c3)o1)CC2=O ZINC000587494351 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CSc1nnc(-c3cccc(Br)c3)o1)CC2=O ZINC000587494352 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1[S@@](=O)c1cc(OC)ccc1OC)CC2=O ZINC000587494355 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1[S@](=O)c1cc(OC)ccc1OC)CC2=O ZINC000587494356 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1[S@@](=O)c1cc(OC)ccc1OC)CC2=O ZINC000587494357 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1[S@](=O)c1cc(OC)ccc1OC)CC2=O ZINC000587494358 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(SCc3ccc(Cl)cc3)n(C)c3ccccc13)CC2=O ZINC000587494361 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(SCc3ccc(Cl)cc3)n(C)c3ccccc13)CC2=O ZINC000587494362 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccnc(SC)n1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587494368 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccnc(SC)n1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587494369 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(Cl)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494383 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cnc(Cl)s3)c3ccccc13)CC2=O ZINC000587494385 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c1)CC2=O ZINC000587494388 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cnc(Cl)s3)c3ccccc13)CC2=O ZINC000587494389 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c1)CC2=O ZINC000587494392 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nc(C)c(C)[nH]1)(c1ccc3c(c1)CCCC3)CC2=O ZINC000587494394 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nc(-c3ccccc3)cs1)(C(C)(C)C)CC2=O ZINC000587494396 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nc(-c3ccccc3)cs1)(C(C)(C)C)CC2=O ZINC000587494397 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nc(C)c(C)[nH]1)(c1ccc3c(c1)CCCC3)CC2=O ZINC000587494400 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)CC2=O ZINC000587494401 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(SC)cc1)(C(C)(C)N1CCOCC1)CC2=O ZINC000587494422 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(SC)cc1)(C(C)(C)N1CCOCC1)CC2=O ZINC000587494432 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3cc(OC)ccc3OC)nc1C)CC2=O ZINC000587494458 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3cc(OC)ccc3OC)nc1C)CC2=O ZINC000587494465 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2csc(C)n2)=C(C)Oc2cc(O)c(C)cc21 ZINC000587494520 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2csc(C)n2)=C(C)Oc2cc(O)c(C)cc21 ZINC000587494524 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2=O ZINC000587494529 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2=O ZINC000587494537 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2=O ZINC000587494540 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2=O ZINC000587494544 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(CC(=O)O)c2Oc2c1ccc(C)c2C ZINC000587494609 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(CC(=O)O)c2Oc2c1ccc(C)c2C ZINC000587494611 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494663 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494667 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(Br)sc1N)CC2=O ZINC000587494682 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2c(OC)c(O)cc(OC)c21 ZINC000587494691 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Oc2c(OC)c(O)cc(OC)c21 ZINC000587494692 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2c(OC)c(O)cc(OC)c21 ZINC000587494693 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Oc2c(OC)c(O)cc(OC)c21 ZINC000587494694 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(Br)sc1N)CC2=O ZINC000587494706 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccc(C)c(Cl)c3)nc1Cl)CC2=O ZINC000587494713 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccc(C)c(Cl)c3)nc1Cl)CC2=O ZINC000587494714 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(-c4cccs4)s3)s1)CC2=O ZINC000587494727 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(-c4cccs4)s3)s1)CC2=O ZINC000587494728 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(C)cc3)c1SCC(=O)O)CC2=O ZINC000587494759 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(C)cc3)c1SCC(=O)O)CC2=O ZINC000587494760 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c1)CC2=O ZINC000587494761 JK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccccc3Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587494765 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c1)CC2=O ZINC000587494766 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Sc1ccc(OC)c(OC)c1)CC2=O ZINC000587494772 JK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccccc3Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587494773 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Sc1ccc(OC)c(OC)c1)CC2=O ZINC000587494774 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(N)sc3c1CCCC3)(c1c(C)nn(C)c1C)CC2=O ZINC000587494783 JK Annotated Anodyne Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(Br)cc3)nc12 ZINC000587494785 JK Annotated Anodyne Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(Br)cc3)nc12 ZINC000587494790 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(N)sc3c1CCCC3)(c1c(C)nn(C)c1C)CC2=O ZINC000587494792 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494800 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2OCc2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587494804 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494806 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CSc3ncccn3)c1)CC2=O ZINC000587494813 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CSc3ncccn3)c1)CC2=O ZINC000587494815 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2OCc2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587494817 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1scc(Br)c1Br)CC2=O ZINC000587494830 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1scc(Br)c1Br)CC2=O ZINC000587494855 JK Annotated Reactive Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494913 JK Annotated Anodyne COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587494918 JK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494926 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccc(Br)s1)CC2=O ZINC000587494970 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccc(Br)s1)CC2=O ZINC000587494973 JK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(Cc3cc(Br)cs3)CC1)CC2=O ZINC000587495082 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)CC2=O ZINC000587495103 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)CC2=O ZINC000587495107 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(SC)c3)c1C)CC2=O ZINC000587495118 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(SC)c3)c1C)CC2=O ZINC000587495125 JK Annotated Reactive CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495135 JK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495140 JK Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587495142 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587495150 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495161 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495162 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495164 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495165 JK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495170 JK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495178 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587495198 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587495203 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587495226 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-c3ccccn3)s1)CC2=O ZINC000587495227 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3ccccn3)s1)CC2=O ZINC000587495231 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)s3)nc3ccccn13)CC2=O ZINC000587495233 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587495234 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587495235 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587495237 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)s3)nc3ccccn13)CC2=O ZINC000587495241 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495262 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cncc(Br)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495266 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Br)cc3)s1)CC2=O ZINC000587495328 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Br)cc3)s1)CC2=O ZINC000587495329 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587495393 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587495400 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587495404 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587495406 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccc(OCc4ccccc4)cc3)n1)CC2=O ZINC000587495425 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccc(OCc4ccccc4)cc3)n1)CC2=O ZINC000587495428 JK Annotated Anodyne O=C1C[C@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587495451 JK Annotated Anodyne O=C1C[C@@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587495469 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Br ZINC000587495492 JK Annotated Anodyne O=C1C[C@H](c2ccc(COc3cccc(Br)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587495493 JK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3cccc(Br)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587495495 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CC#N)s1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587495499 JK Annotated Mild COc1ccc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Br ZINC000587495500 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CC#N)s1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587495501 JK Annotated Mild N#Cc1ccccc1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587495519 JK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3c(C)cccc3C)n1)CC2=O ZINC000587495521 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3c(C)cccc3C)n1)CC2=O ZINC000587495523 JK Annotated Anodyne N#Cc1ccccc1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587495524 JK Annotated Mild CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495534 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495536 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Br)cccc21 ZINC000587495540 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Br)cccc21 ZINC000587495544 JK Annotated Anodyne O=C1C[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587495561 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(Br)s1)CC2=O ZINC000587495562 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(Br)s1)CC2=O ZINC000587495564 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587495565 JK Annotated Reactive O=C1C[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587495571 JK Annotated Reactive O=C1C[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587495574 JK Annotated Reactive Cc1cc(Br)c2c(c1N)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587495588 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c(Br)c1C ZINC000587495589 JK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587495591 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587495594 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c(Br)c1C ZINC000587495596 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587495597 JK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495598 JK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495600 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Br)cc1 ZINC000587495620 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Br)cc1 ZINC000587495623 JK Annotated Anodyne O=C1C[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587495634 JK Annotated Anodyne O=C1C[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587495644 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495645 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495648 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495703 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495708 JK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587495720 JK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587495721 JK Annotated Anodyne O=C1C[C@]2(CCc3cc(Br)cc(Br)c32)Oc2c1ccc1c2CCCC1 ZINC000587495798 JK Annotated Anodyne O=C1C[C@@]2(CCc3cc(Br)cc(Br)c32)Oc2c1ccc1c2CCCC1 ZINC000587495799 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2nc(C)cs2)=COc2cc(O)c(CC)cc21 ZINC000587495802 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2nc(C)cs2)=COc2cc(O)c(CC)cc21 ZINC000587495804 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(Br)cc3)nc1C)CC2=O ZINC000587495806 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(Br)cc3)nc1C)CC2=O ZINC000587495808 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587495810 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587495812 JK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495813 JK Annotated Anodyne C[C@@]1(c2cnc3ccc(Br)cc3c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495814 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1sc(N)nc1-c1ccccc1)CC2=O ZINC000587495830 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1sc(N)nc1-c1ccccc1)CC2=O ZINC000587495833 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)CC2=O ZINC000587495865 JK Annotated Bother Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587495869 JK Annotated Reactive Cc1cc(Br)cc2cc([C@]3(C(C)C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 ZINC000587495873 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)CC2=O ZINC000587495874 JK Annotated Bother Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587495876 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2=O ZINC000587495877 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 ZINC000587495880 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2=O ZINC000587495883 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C/Cl)CC2=O ZINC000587495891 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C/Cl)CC2=O ZINC000587495902 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C\Cl)CC2=O ZINC000587495906 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C\Cl)CC2=O ZINC000587495909 JK Annotated Anodyne COc1cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n(C)c2cc1Br ZINC000587495945 JK Annotated Clean COc1cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n(C)c2cc1Br ZINC000587495946 JK Annotated Clean Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc(Br)c1 ZINC000587495957 JK Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc(Br)c1 ZINC000587495964 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCc1ccccc1Cl ZINC000587496002 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCc1ccccc1Cl ZINC000587496006 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccccc3)c(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587496030 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccccc3)c(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587496032 JK Annotated Anodyne Cn1c(-c2ccccc2)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587496056 JK Annotated Reactive O=C1CC2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587496067 JK Annotated Anodyne Cn1c(-c2ccccc2)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587496068 JK Annotated Reactive O=C1C[C@H](c2c(-c3cccc(Br)c3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587496085 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3cccc(Br)c3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587496086 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587496095 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587496101 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccc(Br)cc4)sc31)CC2=O ZINC000587496123 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496125 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccc(Br)cc4)sc31)CC2=O ZINC000587496126 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496129 JK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587496143 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587496146 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496148 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496151 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1[C@H]1CC[C@H]3C1)CC2=O ZINC000587496180 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587496181 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1[C@H]1CC[C@H]3C1)CC2=O ZINC000587496183 JK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587496187 JK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496188 JK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496192 JK Annotated Reactive COc1c(C)cc([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587496198 JK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587496204 JK Annotated Anodyne O=C1C[C@@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496211 JK Annotated Anodyne O=C1C[C@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496214 JK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587496219 JK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587496221 JK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496231 JK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496234 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587496274 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587496275 JK Annotated Bother O=C1C[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)Oc2c1ccc1c2CCCC1 ZINC000587496296 JK Annotated Reactive O=C1C[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)Oc2c1ccc1c2CCCC1 ZINC000587496297 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCOCC3)nc1-c1ccccc1)CC2=O ZINC000587496314 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCOCC3)nc1-c1ccccc1)CC2=O ZINC000587496319 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccccc3Br)s1)CC2=O ZINC000587496346 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccccc3Br)s1)CC2=O ZINC000587496348 JK Annotated Anodyne C[C@@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496349 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496352 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496355 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496358 JK Annotated Reactive CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496417 JK Annotated Reactive O=C1C[C@@H](c2ccc(Br)cc2OCCCC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587496425 JK Annotated Anodyne CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496426 JK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496428 JK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496430 JK Annotated Reactive O=C1C[C@H](c2ccc(Br)cc2OCCCC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587496432 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3cccs3)c1C)CC2=O ZINC000587496456 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3cccs3)c1C)CC2=O ZINC000587496459 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1 ZINC000587496516 JK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587496517 JK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1 ZINC000587496518 JK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587496520 JK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587496555 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587496558 JK Annotated Reactive N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496579 JK Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496580 JK Annotated Mild CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496616 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496619 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 ZINC000587496635 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 ZINC000587496644 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 ZINC000587496649 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 ZINC000587496652 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Cc3ccc(OC)c(OC)c3)nc1C)CC2=O ZINC000587496662 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(Cc3ccc(OC)c(OC)c3)nc1C)CC2=O ZINC000587496664 JK Annotated Anodyne O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc21 ZINC000587496665 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc21 ZINC000587496677 JK Annotated Anodyne COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587496689 JK Annotated Reactive COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587496692 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587496749 JK Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496750 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587496751 JK Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496753 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3cccc(Cl)c3)n1)CC2=O ZINC000587496812 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3cccc(Cl)c3)n1)CC2=O ZINC000587496814 JK Annotated Anodyne CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 ZINC000587496819 JK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 ZINC000587496822 JK Annotated Reactive CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 ZINC000587496824 JK Annotated Reactive CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 ZINC000587496827 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587496838 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587496839 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587496840 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587496841 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496863 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496868 JK Annotated Reactive COc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1Br ZINC000587496873 JK Annotated Anodyne COc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1Br ZINC000587496875 JK Annotated Anodyne O=C(O)C[C@@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496877 JK Annotated Reactive O=C(O)C[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496880 JK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496881 JK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496883 JK Annotated Reactive Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 ZINC000587496911 JK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 ZINC000587496921 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCc1ccccn1 ZINC000587496933 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCc1ccccn1 ZINC000587496937 JK Annotated Anodyne O=C(CCl)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587496943 JK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587496945 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587496966 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587496970 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496980 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc(N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496984 JK Annotated Reactive CC(=O)N(C1=C(Cl)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2C1=O)C1CC1 ZINC000587496985 JK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2C1=O)C1CC1 ZINC000587496988 JK Annotated Mild C[C@@H](Br)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496990 JK Annotated Reactive C[C@@H](Br)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496992 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496994 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496996 JK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497002 JK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497006 JK Annotated Reactive CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Cl)cccc21 ZINC000587497020 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Cl)cccc21 ZINC000587497022 JK Annotated Anodyne C=CCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587497026 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587497028 JK Annotated Mild Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497029 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497031 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(Br)c2O)Oc2c1ccc1c2CCCC1 ZINC000587497046 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(Br)c2O)Oc2c1ccc1c2CCCC1 ZINC000587497047 JK Annotated Anodyne Cc1cc(C)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587497059 JK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587497063 JK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497068 JK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497071 JK Annotated Reactive CC(C)(C)c1nc2c(Br)ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587497084 JK Annotated Anodyne CC(C)(C)c1nc2c(Br)ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587497086 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000587497090 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000587497097 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Br)cc1 ZINC000587497157 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Br)cc1 ZINC000587497160 JK Annotated Anodyne O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497167 JK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497168 JK Annotated Reactive CNc1ccc(Br)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587497185 JK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587497186 JK Annotated Anodyne O=C1C[C@@H](c2c[nH]c3c(Br)cc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587497217 JK Annotated Anodyne O=C1C[C@H](c2c[nH]c3c(Br)cc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587497224 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497254 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497255 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497256 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497257 JK Annotated Reactive COc1ccc([C@@H](Cl)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497293 JK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497295 JK Annotated Reactive COc1ccc([C@@H](Cl)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497297 JK Annotated Reactive COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497299 JK Annotated Reactive Cc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587497301 JK Annotated Reactive O=C1C[C@@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497306 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587497307 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587497308 JK Annotated Anodyne O=C1C[C@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497310 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Nc3cc(OC)ccc3OC)s1)CC2=O ZINC000587497321 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C(C)(C)C)cc3)nc3sccn13)CC2=O ZINC000587497323 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C(C)(C)C)cc3)nc3sccn13)CC2=O ZINC000587497324 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Nc3cc(OC)ccc3OC)s1)CC2=O ZINC000587497325 JK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497330 JK Annotated Reactive COC(=O)[C@@H](C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(Cl)cc1 ZINC000587497333 JK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(Cl)cc1 ZINC000587497336 JK Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(Cl)cc1 ZINC000587497337 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497338 JK Annotated Reactive COC(=O)[C@H](C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(Cl)cc1 ZINC000587497339 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497340 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497342 JK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497372 JK Annotated Reactive C[C@@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497374 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497375 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497376 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nc3sc4ccccc4n13)CC2=O ZINC000587497428 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nc3sc4ccccc4n13)CC2=O ZINC000587497431 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(C)c(C)c3)n1)CC2=O ZINC000587497481 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(C)c(C)c3)n1)CC2=O ZINC000587497483 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497484 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cnc(Cl)s3)c(OC)c1)CC2=O ZINC000587497486 JK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497488 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cnc(Cl)s3)c(OC)c1)CC2=O ZINC000587497493 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1c(N)sc3c1CCC(C)(C)C3)CC2=O ZINC000587497494 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1c(N)sc3c1CCC(C)(C)C3)CC2=O ZINC000587497499 JK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587497500 JK Annotated Reactive CCOc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497501 JK Annotated Anodyne Cc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587497504 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587497507 JK Annotated Reactive CCOc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497519 JK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587497554 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cn1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587497555 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cn1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587497567 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3cccc(C)c3C)n1)CC2=O ZINC000587497581 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3cccc(C)c3C)n1)CC2=O ZINC000587497584 JK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497600 JK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497606 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1cccc(Cl)c1 ZINC000587497632 JK Annotated Anodyne CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497678 JK Annotated Reactive CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497685 JK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497687 JK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497689 JK Annotated Reactive O=C1C[C@]2(CCOc3c(Br)cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587497724 JK Annotated Anodyne O=C1C[C@@]2(CCOc3c(Br)cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587497725 JK Annotated Anodyne O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497791 JK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587497793 JK Annotated Anodyne O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497795 JK Annotated Reactive O=C1C[C@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587497798 JK Annotated Anodyne O=C1C[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587497845 JK Annotated Reactive O=C1C[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587497856 JK Annotated Reactive COc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587497863 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587497865 JK Annotated Reactive CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3)C1CC1 ZINC000587497868 JK Annotated Mild COc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587497869 JK Annotated Reactive CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3)C1CC1 ZINC000587497870 JK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497872 JK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497876 JK Annotated Mild CCCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587497881 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587497883 JK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587497884 JK Annotated Reactive CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1cccc(Cl)c1 ZINC000587497889 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1cc(Br)ccc12 ZINC000587497912 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1cc(Br)ccc12 ZINC000587497919 JK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497968 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587497976 JK Annotated Reactive CCCOc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497977 JK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587497983 JK Annotated Reactive COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1C ZINC000587498009 JK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1C ZINC000587498021 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3cccc(OC)c3)n1)CC2=O ZINC000587498035 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3cccc(OC)c3)n1)CC2=O ZINC000587498038 JK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498041 JK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498049 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Br ZINC000587498060 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498064 JK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498069 JK Annotated Reactive CC(C)(C)C(=O)Nc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Br ZINC000587498085 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(Br)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498106 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(Br)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498119 JK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587498134 JK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587498138 JK Annotated Anodyne O=C(Oc1c(Cl)cc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587498154 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)nc3sccn13)CC2=O ZINC000587498161 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)nc3sccn13)CC2=O ZINC000587498162 JK Annotated Anodyne O=C(Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587498175 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587498177 JK Annotated Anodyne Cc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587498182 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCN(C(C)=O)C3)CC2=O ZINC000587498287 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCN(C(C)=O)C3)CC2=O ZINC000587498288 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3nc1Sc1nc3ccccc3s1)CC2=O ZINC000587498299 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3nc1Sc1nc3ccccc3s1)CC2=O ZINC000587498300 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccccc4Br)sc31)CC2=O ZINC000587498301 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccccc4Br)sc31)CC2=O ZINC000587498302 JK Annotated Anodyne C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498313 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498314 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498315 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498316 JK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498351 JK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498352 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587498361 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587498362 JK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498369 JK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498370 JK Annotated Reactive Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498380 JK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498383 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCc1ccccc1Cl ZINC000587498385 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCc1ccccc1Cl ZINC000587498390 JK Annotated Anodyne CCn1c(-c2ccccc2)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587498392 JK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587498395 JK Annotated Reactive Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498470 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(O)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587498472 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(O)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587498473 JK Annotated Anodyne O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587498476 JK Annotated Reactive O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587498478 JK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498480 JK Annotated Reactive Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498481 JK Annotated Anodyne C[C@@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498482 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498486 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498490 JK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc1C2 ZINC000587498538 JK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc1C2 ZINC000587498542 JK Annotated Reactive O=C(c1ccc(OC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1cncc(Br)c1 ZINC000587498576 JK Annotated Anodyne O=C(c1ccc(OC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1cncc(Br)c1 ZINC000587498580 JK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)Oc2c1ccc1c2CCCC1 ZINC000587498599 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)Oc2c1ccc1c2CCCC1 ZINC000587498602 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Br)cn1 ZINC000587498617 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Br)cn1 ZINC000587498623 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498638 JK Annotated Reactive C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498642 JK Annotated Bother C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498645 JK Annotated Bother Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498648 JK Annotated Anodyne C[C@@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498649 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498652 JK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498654 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498655 JK Annotated Reactive Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498661 JK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587498662 JK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587498670 JK Annotated Anodyne O=C1C[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498678 JK Annotated Anodyne O=C1C[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498694 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587498706 JK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587498707 JK Annotated Anodyne O=C1C[C@@]2(C[C@@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498725 JK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498726 JK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498728 JK Annotated Anodyne O=C1C[C@]2(C[C@@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498732 JK Annotated Anodyne O=C1C[C@]2(C[C@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498734 JK Annotated Anodyne O=C1C[C@@]2(C[C@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587498735 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498741 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498758 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587498839 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587498840 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498844 JK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498846 JK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498848 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)CC2=O ZINC000587498853 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)CC2=O ZINC000587498855 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)CC2=O ZINC000587498858 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)CC2=O ZINC000587498859 JK Annotated Anodyne O=C(O)COc1c(Br)cc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498864 JK Annotated Anodyne O=C(O)COc1c(Br)cc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498865 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498902 JK Annotated Reactive C[C@@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498905 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498906 JK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498907 JK Annotated Reactive CC1(C)CCC(C)(C)c2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587498939 JK Annotated Reactive O=C(CCl)NCc1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587498946 JK Annotated Reactive O=C(CCl)NCc1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587498947 JK Annotated Reactive CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587498953 JK Annotated Reactive O=C1C[C@](CBr)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587498962 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587498963 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4c(c3)CCCC4)nc3sccn13)CC2=O ZINC000587498978 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4c(c3)CCCC4)nc3sccn13)CC2=O ZINC000587498979 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c(Cl)c1O ZINC000587498982 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c(Cl)c1O ZINC000587498983 JK Annotated Anodyne O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587499049 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587499050 JK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499069 JK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499071 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587499100 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587499103 JK Annotated Bother C[C@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499107 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499115 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587499116 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587499124 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587499126 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587499128 JK Annotated Reactive C[C@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499129 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587499144 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587499145 JK Annotated Bother C[C@@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499151 JK Annotated Anodyne O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587499156 JK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499162 JK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587499163 JK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499166 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587499207 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4ccccc4c3)nc3sccn13)CC2=O ZINC000587499208 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4ccccc4c3)nc3sccn13)CC2=O ZINC000587499209 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587499210 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499211 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499213 JK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587499228 JK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499232 JK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587499237 JK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499243 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc(Br)c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587499263 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc(Br)c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587499266 JK Annotated Anodyne Cn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587499273 JK Annotated Reactive Cn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587499297 JK Annotated Reactive CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499320 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499332 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(Cl)cc(Cl)c1Oc1cc(O)cc(O)c12 ZINC000587499335 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499344 JK Annotated Anodyne CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499347 JK Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499349 JK Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499352 JK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499353 JK Annotated Reactive CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1OC(C)=O ZINC000587499356 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(Cl)cc(Cl)c1Oc1cc(O)cc(O)c12 ZINC000587499357 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1OC(C)=O ZINC000587499364 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sccn13)CC2=O ZINC000587499408 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sccn13)CC2=O ZINC000587499410 JK Annotated Anodyne O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499425 JK Annotated Reactive O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499427 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587499429 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587499432 JK Annotated Reactive O=C1C[C@](CBr)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587499449 JK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587499451 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1C ZINC000587499452 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1C ZINC000587499454 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499471 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499473 JK Annotated Anodyne O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499540 JK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499541 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499542 JK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499543 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1 ZINC000587499550 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1 ZINC000587499551 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCC1=CCCCC1 ZINC000587499568 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCC1=CCCCC1 ZINC000587499569 JK Annotated Reactive CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499596 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ncc(Br)cn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499600 JK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3ncc(Br)cn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499604 JK Annotated Anodyne CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)cc(Cl)c2O1 ZINC000587499637 JK Annotated Anodyne CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)cc(Cl)c2O1 ZINC000587499640 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)Oc2c1ccc1c2CCCC1 ZINC000587499684 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)Oc2c1ccc1c2CCCC1 ZINC000587499687 JK Annotated Anodyne C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587499695 JK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587499698 JK Annotated Reactive Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000587499699 JK Annotated Mild Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000587499706 JK Annotated Mild O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587499716 JK Annotated Reactive O=C1C[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587499722 JK Annotated Reactive O=C1C[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587499724 JK Annotated Reactive O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587499726 JK Annotated Reactive O=C1C[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587499773 JK Annotated Anodyne O=C1C[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587499776 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cn1 ZINC000587499782 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cn1 ZINC000587499783 JK Annotated Anodyne O=C1C[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)Oc2c1ccc1c2CCCC1 ZINC000587499794 JK Annotated Reactive O=C1C[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)Oc2c1ccc1c2CCCC1 ZINC000587499796 JK Annotated Reactive CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499807 JK Annotated Mild Cc1cn(-c2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 ZINC000587499809 JK Annotated Reactive CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499810 JK Annotated Mild Cc1ccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(Br)c2=O)cc1 ZINC000587499817 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(Br)c2=O)cc1 ZINC000587499818 JK Annotated Anodyne Cc1cn(-c2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 ZINC000587499819 JK Annotated Reactive O=C1C[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587499820 JK Annotated Anodyne O=C1C[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587499828 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c(OC)c1OC ZINC000587499838 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c(OC)c1OC ZINC000587499842 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587499869 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587499873 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587499875 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587499878 JK Annotated Anodyne O=C1C[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587499880 JK Annotated Reactive C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499881 JK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499882 JK Annotated Mild O=C1C[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587499883 JK Annotated Reactive Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587499901 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587499902 JK Annotated Anodyne C[C@@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587499915 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587499916 JK Annotated Reactive C[C@@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587499919 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587499922 JK Annotated Reactive Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499962 JK Annotated Anodyne Cc1ccc([C@@H](C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499963 JK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499964 JK Annotated Anodyne Cc1ccc([C@@H](C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499965 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1ccccc1 ZINC000587500005 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1ccccc1 ZINC000587500013 JK Annotated Reactive O=C1C[C@@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500016 JK Annotated Anodyne O=C1C[C@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500017 JK Annotated Anodyne O=C1C[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500019 JK Annotated Anodyne O=C1C[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500021 JK Annotated Anodyne O=C1C[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500034 JK Annotated Anodyne O=C1C[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500059 JK Annotated Anodyne O=C1C[C@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587500060 JK Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Nc1ccc(Cl)cc1 ZINC000587500071 JK Annotated Anodyne O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Nc1ccc(Cl)cc1 ZINC000587500073 JK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587500083 JK Annotated Anodyne C[C@@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500124 JK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500127 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500129 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500130 JK Annotated Reactive O=C1C[C@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)Oc2c1ccc1c2CCCC1 ZINC000587500135 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)Oc2c1ccc1c2CCCC1 ZINC000587500142 JK Annotated Anodyne CC(C)(C)[C@@]1([C@H](Oc2ccc(Cl)cc2)n2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500146 JK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500149 JK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500151 JK Annotated Anodyne CC(C)(C)[C@@]1([C@@H](Oc2ccc(Cl)cc2)n2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500153 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1=C(c3ccc(Br)cc3)N3CCN=C3S1)CC2=O ZINC000587500162 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1=C(c3ccc(Br)cc3)N3CCN=C3S1)CC2=O ZINC000587500163 JK Annotated Anodyne O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CBr)ccc21 ZINC000587500164 JK Annotated Reactive O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CBr)ccc21 ZINC000587500165 JK Annotated Reactive O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CBr)cc21 ZINC000587500174 JK Annotated Reactive O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CBr)cc21 ZINC000587500175 JK Annotated Reactive O=C1C[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)Oc2c1ccc1c2CCCC1 ZINC000587500187 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)Oc2c1ccc1c2CCCC1 ZINC000587500188 JK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@@H](Br)CCCCC[C@@H]2Br ZINC000587500191 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(C3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500192 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc(C3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500193 JK Annotated Reactive O=C1C[C@@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587500197 JK Annotated Reactive O=C1C[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587500198 JK Annotated Reactive O=C1C[C@@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587500199 JK Annotated Reactive O=C1C[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587500200 JK Annotated Reactive Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500203 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500204 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587500205 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587500210 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500212 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500214 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587500217 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587500218 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(Cl)cc1 ZINC000587500231 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(Cl)cc1 ZINC000587500232 JK Annotated Reactive O=C1C[C@@](C[C@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500243 JK Annotated Anodyne O=C1C[C@](C[C@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500250 JK Annotated Anodyne O=C1C[C@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500253 JK Annotated Anodyne O=C1C[C@@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500254 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587500289 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587500292 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500318 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500320 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cc3c(cc2Br)OCCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500323 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3c(cc2Br)OCCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500324 JK Annotated Anodyne CN(C)/C=C\[C@@]1(c2cc3c(cc2Br)OCCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500325 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc3c(cc2Br)OCCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500326 JK Annotated Anodyne O=C1C[C@@]2(CCCc3c(Br)cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500332 JK Annotated Anodyne O=C1C[C@]2(CCCc3c(Br)cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500338 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500368 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500370 JK Annotated Anodyne Cc1ccc(Cl)nc1C1(c2nc(Cl)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500399 JK Annotated Anodyne O=C1C[C@](Cc2ccccc2F)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587500405 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500409 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500412 JK Annotated Anodyne O=C1C[C@@](Cc2ccccc2F)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587500415 JK Annotated Anodyne O=C1C[C@H](c2c(OCc3ccccc3F)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587500443 JK Annotated Anodyne O=C1C[C@@H](c2c(OCc3ccccc3F)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587500446 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500468 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500472 JK Annotated Anodyne COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500478 JK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500482 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500548 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500551 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)Oc2c1ccc1c2CCCC1 ZINC000587500618 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)Oc2c1ccc1c2CCCC1 ZINC000587500622 JK Annotated Reactive Nc1c([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 ZINC000587500642 JK Annotated Bother COc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500644 JK Annotated Anodyne Nc1c([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 ZINC000587500645 JK Annotated Bother COc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500650 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c(Cl)c1C ZINC000587500651 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c(Cl)c1C ZINC000587500654 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2cc([C@H](C)C(=O)O)ccc2Sc2ccccc21 ZINC000587500694 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2cc([C@@H](C)C(=O)O)ccc2Sc2ccccc21 ZINC000587500705 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2cc([C@H](C)C(=O)O)ccc2Sc2ccccc21 ZINC000587500707 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2cc([C@@H](C)C(=O)O)ccc2Sc2ccccc21 ZINC000587500709 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(O)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500714 JK Annotated Anodyne C[C@]1(c2cc(Br)c(O)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500715 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587500727 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587500729 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587500771 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587500774 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000587500785 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1 ZINC000587500787 JK Annotated Clean C[C@]1(COc2ccc3cc(Br)ccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500807 JK Annotated Anodyne C[C@@]1(COc2ccc3cc(Br)ccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500810 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1F ZINC000587500820 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1F ZINC000587500822 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500828 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500830 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500839 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500840 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500851 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500857 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Br)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500866 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Br)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500869 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)c(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587500881 JK Annotated Anodyne O=C1C[C@H](c2ccc(Cl)c(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587500891 JK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccc(Br)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587500916 JK Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587500918 JK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(Br)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587500920 JK Annotated Anodyne O=C1C[C@@H](c2cccc(Oc3ncc(Br)cn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587500922 JK Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587500924 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccccc2I)Oc2c1ccc1c2CCCC1 ZINC000587500926 JK Annotated Anodyne O=C1C[C@H](c2cccc(Oc3ncc(Br)cn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587500928 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccccc2I)Oc2c1ccc1c2CCCC1 ZINC000587500932 JK Annotated Anodyne C[C@@]1(c2cnc3ccc(Br)cc3c2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500939 JK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500947 JK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500950 JK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500955 JK Annotated Anodyne O=C1C[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500961 JK Annotated Anodyne O=C1C[C@@](CNc2ccc(Br)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587500970 JK Annotated Anodyne O=C1C[C@](CNc2ccc(Br)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587500974 JK Annotated Anodyne O=C1C[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500979 JK Annotated Anodyne CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500985 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500989 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500993 JK Annotated Reactive CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500998 JK Annotated Reactive Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)o1 ZINC000587501022 JK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)o1 ZINC000587501043 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1F ZINC000587501108 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Br)cc1F ZINC000587501117 JK Annotated Clean C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587501124 JK Annotated Reactive C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587501137 JK Annotated Reactive C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587501144 JK Annotated Reactive O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501146 JK Annotated Bother Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(I)=CO2 ZINC000587501148 JK Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501149 JK Annotated Bother C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587501150 JK Annotated Reactive Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(I)=CO2 ZINC000587501171 JK Annotated Anodyne COc1cc(Br)c(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587501179 JK Annotated Anodyne COc1cc(Br)c(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587501183 JK Annotated Anodyne COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587501186 JK Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587501189 JK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3Cl)nc3sccn13)CC2=O ZINC000587501202 JK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3Cl)nc3sccn13)CC2=O ZINC000587501206 JK Annotated Anodyne C[C@@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501210 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(F)c(Cl)c1 ZINC000587501211 JK Annotated Anodyne O=CCOc1ccc([C@@]2(c3cncc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501221 JK Annotated Mild O=CCOc1ccc([C@]2(c3cncc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501238 JK Annotated Mild CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501243 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(F)c(Cl)c1 ZINC000587501245 JK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501247 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501249 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501251 JK Annotated Reactive Cc1ccc([C@@]2(Cc3ccccc3Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501252 JK Annotated Anodyne C[C@@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501253 JK Annotated Reactive Cc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 ZINC000587501254 JK Annotated Reactive Cc1ccc([C@]2(Cc3ccccc3Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501255 JK Annotated Anodyne Cc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 ZINC000587501256 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1Br ZINC000587501272 JK Annotated Anodyne O=C1C[C@@H](c2c(F)cc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501280 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1Br ZINC000587501283 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)Oc2c1ccc1c2CCCC1 ZINC000587501285 JK Annotated Reactive O=C1C[C@](c2ccccc2)(c2oc3ccccc3c2CBr)Oc2c1ccc1c2CCCC1 ZINC000587501296 JK Annotated Reactive O=C1C[C@H](c2c(F)cc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501308 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1Br ZINC000587501320 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1Br ZINC000587501323 JK Annotated Clean COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1Cl ZINC000587501356 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1Cl ZINC000587501366 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501369 JK Annotated Bother O=C1C[C@H](c2ccc(Br)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587501377 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587501378 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501379 JK Annotated Bother COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587501398 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587501410 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587501421 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587501428 JK Annotated Anodyne O=C1C[C@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501462 JK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCCC2OCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587501467 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCC2OCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587501471 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccccc1Cl ZINC000587501478 JK Annotated Anodyne O=C1C[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501482 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccccc1Cl ZINC000587501483 JK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587501525 JK Annotated Anodyne O=C(Nc1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F)OCc1ccccc1 ZINC000587501527 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587501528 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501536 JK Annotated Anodyne O=C(Nc1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F)OCc1ccccc1 ZINC000587501539 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501540 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587501542 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587501547 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)c(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587501565 JK Annotated Anodyne O=C1C[C@H](c2ccc(Br)c(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587501570 JK Annotated Anodyne O=C1C[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587501582 JK Annotated Reactive O=C1C[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587501587 JK Annotated Reactive O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587501600 JK Annotated Bother C[C@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501602 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501604 JK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587501611 JK Annotated Bother O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501649 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501651 JK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501738 JK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501741 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Cl)cc1 ZINC000587501750 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Cl)cc1 ZINC000587501751 JK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(Br)cc1 ZINC000587501762 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(Br)cc1 ZINC000587501763 JK Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501774 JK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501775 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501790 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501791 JK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501804 JK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501805 JK Annotated Reactive CCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587501829 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587501831 JK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501847 JK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501848 JK Annotated Anodyne O=C1C[C@@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501931 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501935 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501940 JK Annotated Reactive O=C1C[C@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501941 JK Annotated Anodyne COc1ccc2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 ZINC000587501950 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 ZINC000587501954 JK Annotated Reactive CCOc1cc(Br)c(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587501957 JK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587501963 JK Annotated Anodyne Nc1c(Cl)cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587501965 JK Annotated Reactive Nc1c(Cl)cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587501969 JK Annotated Reactive C[C@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501976 JK Annotated Bother C[C@@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501984 JK Annotated Bother CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501991 JK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502005 JK Annotated Anodyne O=C1C[C@](CBr)(c2cccc(Br)c2F)Oc2c1ccc1c2CCCC1 ZINC000587502097 JK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(Br)c2F)Oc2c1ccc1c2CCCC1 ZINC000587502123 JK Annotated Reactive Nc1sc2c(c1[C@]1(c3ccc(OC(F)F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587502154 JK Annotated Anodyne C[C@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502160 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1F ZINC000587502171 JK Annotated Reactive C[C@@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502173 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(OC(F)F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587502174 JK Annotated Anodyne C[C@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502176 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1F ZINC000587502177 JK Annotated Reactive C[C@@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502179 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502224 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502228 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502229 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502231 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502254 JK Annotated Bother C[C@@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502258 JK Annotated Bother O=C1C[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587502317 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587502320 JK Annotated Anodyne O=C1C[C@@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502345 JK Annotated Anodyne O=C1C[C@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502352 JK Annotated Anodyne C[C@@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502407 JK Annotated Reactive C[C@@]1([C@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502417 JK Annotated Reactive COc1ccc([C@@]2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587502421 JK Annotated Anodyne C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502424 JK Annotated Reactive COc1ccc([C@]2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587502427 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502429 JK Annotated Reactive CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502434 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502437 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502446 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502449 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502508 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502512 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502524 JK Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502529 JK Annotated Anodyne O=C(O)c1cc([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587502547 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502548 JK Annotated Anodyne O=C(O)c1cc([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587502560 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502561 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587502595 JK Annotated Anodyne O=C1C[C@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587502597 JK Annotated Anodyne O=C1C[C@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587502602 JK Annotated Anodyne O=C1C[C@@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587502603 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502635 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502639 JK Annotated Anodyne N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccc(Br)c2)n1 ZINC000587502649 JK Annotated Mild N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccc(Br)c2)n1 ZINC000587502653 JK Annotated Mild Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(Br)cc3)cc12 ZINC000587502657 JK Annotated Anodyne Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(Br)cc3)cc12 ZINC000587502660 JK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(C)c1Br ZINC000587502682 JK Annotated Anodyne O=C1C[C@@](C[C@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502687 JK Annotated Anodyne O=C1C[C@](C[C@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502689 JK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(C)c1Br ZINC000587502690 JK Annotated Anodyne O=C1C[C@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502692 JK Annotated Anodyne O=C1C[C@@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502695 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl ZINC000587502698 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl ZINC000587502700 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587502733 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(Br)c1 ZINC000587502734 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587502737 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(Br)c1 ZINC000587502738 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587502741 JK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587502744 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl ZINC000587502782 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl ZINC000587502784 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502788 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502791 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502793 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502795 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502815 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502817 JK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502820 JK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502822 JK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502826 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502827 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502850 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502851 JK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587502855 JK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587502858 JK Annotated Anodyne N#Cc1ccc(C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502874 JK Annotated Mild O=C1C[C@@](c2ccc(I)cc2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502876 JK Annotated Anodyne N#Cc1ccc(C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502877 JK Annotated Mild O=C1C[C@](c2ccc(I)cc2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502880 JK Annotated Anodyne O=C1C[C@](c2ccc(I)cc2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502881 JK Annotated Anodyne O=C1C[C@@](c2ccc(I)cc2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502882 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587502892 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587502893 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(F)cc1Cl ZINC000587502956 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(F)cc1Cl ZINC000587502957 JK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(F)cc1Cl ZINC000587502964 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(F)cc1Cl ZINC000587502965 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587502984 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587502987 JK Annotated Anodyne O=C1C[C@](CCl)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502989 JK Annotated Reactive O=C1C[C@@](CCl)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502991 JK Annotated Reactive Nc1ccc(Br)cc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503049 JK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503050 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503067 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503070 JK Annotated Anodyne O=C1C[C@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587503115 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503116 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503117 JK Annotated Anodyne O=C1C[C@@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587503125 JK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587503130 JK Annotated Clean CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587503138 JK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587503141 JK Annotated Mild COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587503146 JK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587503150 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503157 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503158 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503194 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503198 JK Annotated Anodyne O=C1C[C@](C(Br)Br)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503203 JK Annotated Reactive O=C1C[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503214 JK Annotated Reactive CCc1cc(Br)ccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503224 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503227 JK Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1Cc1ccc(Br)cc1 ZINC000587503238 JK Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1Cc1ccc(Br)cc1 ZINC000587503253 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587503322 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587503335 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503336 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503349 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC(F)F ZINC000587503367 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC(F)F ZINC000587503373 JK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCCCn2cccc2)Oc2c1ccc1c2CCCC1 ZINC000587503405 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCCn2cccc2)Oc2c1ccc1c2CCCC1 ZINC000587503407 JK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503408 JK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503413 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503417 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503422 JK Annotated Anodyne CC1(COc2cc(Br)ccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1 ZINC000587503428 JK Annotated Anodyne CC1(COc2cc(Br)ccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1 ZINC000587503430 JK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503431 JK Annotated Anodyne O=C1C[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503438 JK Annotated Anodyne O=C1C[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503442 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503455 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503461 JK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587503487 JK Annotated Bother O=C1C[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587503491 JK Annotated Bother O=C1C[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 ZINC000587503503 JK Annotated Bother O=C1C[C@H](c2ccc(OCc3ccccc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587503504 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587503506 JK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 ZINC000587503522 JK Annotated Bother O=C1C[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587503544 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587503550 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587503554 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587503559 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587503567 JK Annotated Reactive C[C@@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503579 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503581 JK Annotated Anodyne C[C@@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503584 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503586 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503587 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503589 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587503602 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587503606 JK Annotated Anodyne O=C1C[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587503608 JK Annotated Reactive O=C1C[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587503611 JK Annotated Reactive Cn1c(Oc2ccc(Cl)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587503636 JK Annotated Anodyne Cn1c(Oc2ccc(Cl)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587503637 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503640 JK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587503650 JK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587503654 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503658 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587503660 JK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587503663 JK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587503666 JK Annotated Mild O=C1C[C@@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587503709 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587503710 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503711 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503715 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503717 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503720 JK Annotated Reactive O=C1C[C@H](c2cc(I)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587503725 JK Annotated Anodyne O=C1C[C@@H](c2cc(I)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587503726 JK Annotated Anodyne O=C1C[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587503769 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(I)cc1 ZINC000587503771 JK Annotated Clean O=C1C[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587503774 JK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(I)cc1 ZINC000587503779 JK Annotated Clean O=C1C[C@@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587503792 JK Annotated Anodyne O=C1C[C@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587503797 JK Annotated Anodyne C[C@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503798 JK Annotated Mild C[C@@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503800 JK Annotated Mild CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503835 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503838 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(F)(F)F)nn2C)cc1 ZINC000587503847 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(F)(F)F)nn2C)cc1 ZINC000587503857 JK Annotated Anodyne Cc1ccc(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)cc1[N+](=O)[O-] ZINC000587503879 JK Annotated Bother Cc1ccc(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)cc1[N+](=O)[O-] ZINC000587503887 JK Annotated Bother Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503889 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503890 JK Annotated Anodyne O=C1C[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503893 JK Annotated Anodyne O=C1C[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503900 JK Annotated Anodyne Cn1c(Oc2cccc(C(F)(F)F)c2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587503903 JK Annotated Anodyne Cn1c(Oc2cccc(C(F)(F)F)c2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587503905 JK Annotated Anodyne Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503913 JK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503920 JK Annotated Clean O=C1C[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587503964 JK Annotated Anodyne O=C1C[C@@H](c2c(Cl)cccc2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503965 JK Annotated Anodyne O=C1C[C@H](c2c(Cl)cccc2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503967 JK Annotated Anodyne O=C1C[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587503975 JK Annotated Anodyne CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503981 JK Annotated Clean O=C1C[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503995 JK Annotated Reactive O=C1C[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503997 JK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587504006 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587504008 JK Annotated Anodyne O=C1C[C@](c2cccc(F)c2)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587504017 JK Annotated Anodyne O=C1C[C@@](c2cccc(F)c2)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587504019 JK Annotated Anodyne O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504023 JK Annotated Bother Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587504024 JK Annotated Clean O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504027 JK Annotated Bother Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587504028 JK Annotated Clean CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587504033 JK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)c1 ZINC000587504039 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587504042 JK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)c1 ZINC000587504043 JK Annotated Anodyne CN(C)/C=C(/c1ncc(C(F)(F)F)cc1Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504052 JK Annotated Anodyne CN(C)/C=C(/c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504055 JK Annotated Anodyne CN(C)/C=C(\c1ncc(C(F)(F)F)cc1Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504058 JK Annotated Anodyne CN(C)/C=C(\c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504061 JK Annotated Anodyne O=C1CC2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)Oc2c1ccc1c2CCCC1 ZINC000587504064 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587504065 JK Annotated Anodyne O=C1C[C@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587504078 JK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504079 JK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504081 JK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587504160 JK Annotated Reactive Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Br)c1 ZINC000587504176 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Br)c1 ZINC000587504177 JK Annotated Clean N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504195 JK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504201 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504202 JK Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504205 JK Annotated Reactive Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504213 JK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504228 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504233 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504236 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(F)c(F)cc(F)c1F ZINC000587504248 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(F)c(F)cc(F)c1F ZINC000587504251 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504282 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504292 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504312 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504315 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504316 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504318 JK Annotated Anodyne O=C1C[C@H](c2cccc(OCc3ccccc3Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587504334 JK Annotated Anodyne O=C1C[C@@H](c2cccc(OCc3ccccc3Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587504336 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504349 JK Annotated Bother O=C1C[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504350 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC(F)F ZINC000587504360 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504363 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504365 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC(F)F ZINC000587504368 JK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504381 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504385 JK Annotated Anodyne O=C1C[C@@H](c2c[nH]c3c(I)cc(Cl)cc23)Oc2c1ccc1c2CCCC1 ZINC000587504389 JK Annotated Anodyne C[C@]1(c2cccc(OCc3c(F)cccc3Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504393 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3c(F)cccc3Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504394 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)c(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504405 JK Annotated Anodyne O=C1C[C@H](c2c[nH]c3c(I)cc(Cl)cc23)Oc2c1ccc1c2CCCC1 ZINC000587504410 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)c(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504414 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OC(C)C ZINC000587504417 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OC(C)C ZINC000587504419 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504425 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504433 JK Annotated Reactive C[C@]1(c2c[nH]c3cccc(I)c23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504440 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cccc(I)c23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504444 JK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl ZINC000587504463 JK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl ZINC000587504479 JK Annotated Anodyne C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504496 JK Annotated Bother Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587504517 JK Annotated Mild CN(C)c1[nH]c2cccc(I)c2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504523 JK Annotated Anodyne Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587504525 JK Annotated Mild C[C@@H](Br)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504527 JK Annotated Reactive CN(C)c1[nH]c2cccc(I)c2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504529 JK Annotated Anodyne C[C@@H](Br)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504532 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504537 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504540 JK Annotated Reactive O=C1C[C@@](c2ccccc2)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504554 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504556 JK Annotated Anodyne COc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(I)=CO2 ZINC000587504565 JK Annotated Anodyne COc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(I)=CO2 ZINC000587504582 JK Annotated Anodyne O=C1C[C@@H](c2c[nH]c3c(F)cc(I)cc23)Oc2c1ccc1c2CCCC1 ZINC000587504585 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504588 JK Annotated Bother O=C1C[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504599 JK Annotated Bother O=C1C[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504604 JK Annotated Anodyne O=C1C[C@H](c2c[nH]c3c(F)cc(I)cc23)Oc2c1ccc1c2CCCC1 ZINC000587504609 JK Annotated Anodyne O=C1C[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504610 JK Annotated Anodyne O=C1C[C@@]2(CCCOc3ccc(I)cc32)Oc2c1ccc1c2CCCC1 ZINC000587504628 JK Annotated Anodyne O=C1C[C@]2(CCCOc3ccc(I)cc32)Oc2c1ccc1c2CCCC1 ZINC000587504631 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504656 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504661 JK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504702 JK Annotated Bother O=C1C[C@@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504709 JK Annotated Bother O=C1C[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587504710 JK Annotated Anodyne O=C1C[C@](Cc2ccccc2Br)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504712 JK Annotated Anodyne O=C1C[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504713 JK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587504714 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(F)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504715 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(F)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504717 JK Annotated Reactive O=C1C[C@](CBr)(c2cccc(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587504739 JK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587504743 JK Annotated Reactive O=C1C[C@](CBr)(c2cccc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504753 JK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504758 JK Annotated Reactive Cc1cc(C)c(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(F)c2)c(C)c1 ZINC000587504806 JK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(F)c2)c(C)c1 ZINC000587504807 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Cl)cc1 ZINC000587504812 JK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504813 JK Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504815 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Cl)cc1 ZINC000587504817 JK Annotated Anodyne COc1cccc([C@@]2([C@H](C)CN(C)Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504818 JK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504821 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccccc1Cl ZINC000587504851 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccccc1Cl ZINC000587504861 JK Annotated Anodyne O=C1C[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504899 JK Annotated Anodyne O=C1C[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504908 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Cl)cccc1Cl ZINC000587504911 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Cl)cccc1Cl ZINC000587504914 JK Annotated Anodyne COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504919 JK Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504921 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587504923 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587504925 JK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504946 JK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504947 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587504979 JK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587504980 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1c(Cl)cccc1Cl ZINC000587504989 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1c(Cl)cccc1Cl ZINC000587504990 JK Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccc(Cl)c(Cl)c1 ZINC000587504993 JK Annotated Anodyne O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccc(Cl)c(Cl)c1 ZINC000587504994 JK Annotated Anodyne O=C1C[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504997 JK Annotated Anodyne O=C1C[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504998 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587504999 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587505000 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587505005 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587505006 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587505013 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587505017 JK Annotated Anodyne O=C1C[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587505023 JK Annotated Anodyne O=C1C[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587505025 JK Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587505033 JK Annotated Anodyne O=C1C[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587505035 JK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505048 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505049 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587505062 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587505063 JK Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587505087 JK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587505088 JK Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587505089 JK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587505090 JK Annotated Anodyne Cc1cc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1Br ZINC000587505116 JK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1Br ZINC000587505117 JK Annotated Clean C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505127 JK Annotated Bother O=C1C[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587505171 JK Annotated Anodyne O=C1C[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587505174 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587505177 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587505178 JK Annotated Reactive COc1ccc([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587505197 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587505201 JK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2I)Oc2c1ccc1c2CCCC1 ZINC000587505275 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2I)Oc2c1ccc1c2CCCC1 ZINC000587505278 JK Annotated Anodyne O=C1C[C@@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505312 JK Annotated Anodyne O=C1C[C@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505317 JK Annotated Anodyne O=C1C[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505319 JK Annotated Anodyne O=C1C[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505322 JK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2ccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505325 JK Annotated Anodyne CC(C)(C)[C@@]1([C@H](Oc2ccc(Cl)cc2)n2ccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505330 JK Annotated Anodyne CC(C)(C)[C@@]1([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505334 JK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505337 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505349 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505369 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505401 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505407 JK Annotated Anodyne O=C1C[C@H](c2cccn2-c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505440 JK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505443 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587505504 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587505505 JK Annotated Reactive CCn1ccnc1[C@@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505512 JK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505516 JK Annotated Anodyne O=C1C[C@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587505527 JK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587505532 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(F)cc1 ZINC000587505544 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1 ZINC000587505549 JK Annotated Clean Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(F)cc1 ZINC000587505553 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1 ZINC000587505558 JK Annotated Clean O=C1C[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505587 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(F)cccc1Cl ZINC000587505592 JK Annotated Anodyne O=C1C[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505593 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(F)cccc1Cl ZINC000587505595 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(F)cc1Cl ZINC000587505599 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(F)cc1Cl ZINC000587505605 JK Annotated Anodyne O=C1C[C@@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)Oc2c1ccc1c2CCCC1 ZINC000587505614 JK Annotated Anodyne O=C1C[C@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)Oc2c1ccc1c2CCCC1 ZINC000587505621 JK Annotated Anodyne COc1cc(-c2nn(CCC#N)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F ZINC000587505637 JK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F ZINC000587505645 JK Annotated Mild O=C1C[C@](CBr)(c2cccc(OC(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587505725 JK Annotated Reactive N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(Br)cc2)n1 ZINC000587505745 JK Annotated Mild O=C1C[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587505746 JK Annotated Reactive N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(Br)cc2)n1 ZINC000587505748 JK Annotated Mild Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587505761 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587505763 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587505771 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587505773 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Br)c1 ZINC000587505778 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Br)c1 ZINC000587505781 JK Annotated Reactive C[C@]1(c2ccccc2OCc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505798 JK Annotated Anodyne CCCCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587505799 JK Annotated Mild C[C@@]1(c2ccccc2OCc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505801 JK Annotated Anodyne CCCCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587505806 JK Annotated Mild O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505809 JK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505814 JK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505817 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505829 JK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587505858 JK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587505863 JK Annotated Anodyne O=C1C[C@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587505879 JK Annotated Anodyne O=C1C[C@@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587505881 JK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505882 JK Annotated Anodyne O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505887 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Cl)cc1Cl ZINC000587505896 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Cl)cc1Cl ZINC000587505899 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587505910 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587505913 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505962 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505963 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587505969 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587505970 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505973 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505974 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587505985 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587505986 JK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587505991 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587505992 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(Cl)cccc1Cl ZINC000587505993 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(Cl)cccc1Cl ZINC000587505994 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(F)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587506003 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(F)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587506004 JK Annotated Reactive O=C1C[C@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587506011 JK Annotated Anodyne O=C1C[C@@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587506012 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506063 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506064 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506091 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506092 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587506189 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506197 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(F)cc1Cl ZINC000587506201 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506205 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(F)cc1Cl ZINC000587506206 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Br)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506218 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3cccc(Br)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506220 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587506222 JK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506249 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccc(Cl)cc1 ZINC000587506267 JK Annotated Anodyne O=C1C[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587506276 JK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506277 JK Annotated Anodyne O=C1C[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587506282 JK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506287 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccc(Cl)cc1 ZINC000587506289 JK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506290 JK Annotated Anodyne CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506293 JK Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506306 JK Annotated Reactive O=C(C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1OC(F)F ZINC000587506310 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1cccc(Cl)c1 ZINC000587506317 JK Annotated Anodyne CCCOc1c(I)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587506319 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1cccc(Cl)c1 ZINC000587506321 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1OC(F)F ZINC000587506322 JK Annotated Anodyne CCCOc1c(I)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587506323 JK Annotated Anodyne CN(C)/C=C(/C#N)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506329 JK Annotated Reactive CN(C)/C=C(\C#N)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506334 JK Annotated Reactive N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2Br)n1 ZINC000587506347 JK Annotated Mild N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2Br)n1 ZINC000587506350 JK Annotated Mild O=C1C[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506355 JK Annotated Anodyne O=C1C[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506358 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(Br)cc1 ZINC000587506367 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(Br)cc1 ZINC000587506369 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587506382 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587506385 JK Annotated Anodyne O=C1C[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587506395 JK Annotated Anodyne O=C1C[C@](CBr)(c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587506400 JK Annotated Reactive O=C1C[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587506402 JK Annotated Reactive O=C1C[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587506408 JK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Br)c1 ZINC000587506415 JK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Br)c1 ZINC000587506427 JK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506431 JK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506433 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587506459 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587506463 JK Annotated Bother CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587506494 JK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587506499 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506519 JK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506524 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506526 JK Annotated Anodyne O=C1C[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506547 JK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506554 JK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587506560 JK Annotated Bother O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587506562 JK Annotated Bother O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506571 JK Annotated Anodyne O=C1C[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506573 JK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506574 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(OC(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587506591 JK Annotated Anodyne O=C1C[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506593 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506594 JK Annotated Anodyne O=C1C[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506596 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506599 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587506601 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587506607 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587506614 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587506618 JK Annotated Anodyne O=C1C[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506650 JK Annotated Reactive O=C1C[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506654 JK Annotated Reactive COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587506657 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587506659 JK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587506661 JK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccc(Cl)c(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506669 JK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccc(Cl)c(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506670 JK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587506672 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(OC(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587506673 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(C(F)(F)F)c1 ZINC000587506679 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(C(F)(F)F)c1 ZINC000587506682 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587506684 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587506687 JK Annotated Anodyne O=C1C[C@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587506697 JK Annotated Anodyne O=C1C[C@@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587506704 JK Annotated Anodyne O=C1C[C@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587506705 JK Annotated Anodyne O=C1C[C@@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587506707 JK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)c(C)c2O1 ZINC000587506728 JK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)c(C)c2O1 ZINC000587506739 JK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506744 JK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506746 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587506755 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587506757 JK Annotated Clean CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506760 JK Annotated Anodyne O=C1C[C@@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587506768 JK Annotated Anodyne O=C1C[C@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587506774 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4c(F)cccc4F)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 ZINC000587506807 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4c(F)cccc4F)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 ZINC000587506811 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)c(F)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587506865 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(F)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587506867 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@@]2(CO[C@@H]1c1cc(F)ccc1F)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587506910 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@]2(CO[C@@H]1c1cc(F)ccc1F)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587506912 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Br)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506914 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Br)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506916 JK Annotated Reactive O=C1C[C@](CBr)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587506926 JK Annotated Reactive O=C1C[C@@](CBr)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587506928 JK Annotated Reactive O=C1C[C@@H](c2c(Cl)ccc3ncc(I)n23)Oc2c1ccc1c2CCCC1 ZINC000587506962 JK Annotated Anodyne O=C1C[C@H](c2c(Cl)ccc3ncc(I)n23)Oc2c1ccc1c2CCCC1 ZINC000587506964 JK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506982 JK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506984 JK Annotated Anodyne O=C1C[C@@H](c2c3ccnc-3[nH]c(I)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506996 JK Annotated Anodyne O=C1C[C@H](c2c3ccnc-3[nH]c(I)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506998 JK Annotated Anodyne O=C1C[C@H](c2ccc(I)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587507019 JK Annotated Anodyne O=C1C[C@@H](c2ccc(I)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587507020 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507035 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507037 JK Annotated Anodyne COC(=O)c1ccccc1Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587507103 JK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587507104 JK Annotated Bother COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507109 JK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507110 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507130 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507132 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507183 JK Annotated Reactive C[C@@]1([C@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507191 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507193 JK Annotated Reactive C[C@@]1([C@@H](Br)Cc2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507195 JK Annotated Reactive O=C1C[C@@](c2ccc(Br)cc2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507196 JK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507198 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587507252 JK Annotated Bother COc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F ZINC000587507253 JK Annotated Reactive COc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F ZINC000587507254 JK Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587507255 JK Annotated Bother CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507267 JK Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507271 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507273 JK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCCO4)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587507289 JK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCCO4)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587507292 JK Annotated Anodyne Nc1c([C@]2(C34CC5CC(CC(C5)C3)C4)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587507344 JK Annotated Anodyne Nc1c([C@@]2(C34CC5CC(CC(C5)C3)C4)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587507348 JK Annotated Anodyne O=C1C[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507353 JK Annotated Bother O=C1C[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507356 JK Annotated Bother O=C1C[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507386 JK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507388 JK Annotated Anodyne O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507389 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1Cl ZINC000587507393 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1Cl ZINC000587507394 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507405 JK Annotated Bother O=C1C[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507406 JK Annotated Bother O=C1C[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507412 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507423 JK Annotated Anodyne O=C1C[C@](CBr)(c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587507426 JK Annotated Reactive O=C1C[C@@](CBr)(c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587507429 JK Annotated Reactive Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507430 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507445 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507448 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507452 JK Annotated Anodyne C[C@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507455 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507457 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507458 JK Annotated Anodyne NC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587507459 JK Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587507463 JK Annotated Anodyne O=C1C[C@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587507488 JK Annotated Anodyne O=C1C[C@@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587507491 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc(C(F)(F)F)c1 ZINC000587507492 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc(C(F)(F)F)c1 ZINC000587507495 JK Annotated Anodyne O=C1C[C@@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587507498 JK Annotated Anodyne O=C1C[C@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587507502 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587507506 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587507509 JK Annotated Reactive C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507519 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507527 JK Annotated Anodyne O=C1C[C@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507573 JK Annotated Anodyne O=C1C[C@@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507586 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1Cl ZINC000587507617 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1Cl ZINC000587507621 JK Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1Cl ZINC000587507623 JK Annotated Clean Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1Cl ZINC000587507627 JK Annotated Clean COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1cccc(C(F)(F)F)c1 ZINC000587507631 JK Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1cccc(C(F)(F)F)c1 ZINC000587507642 JK Annotated Anodyne O=C1C[C@@H](C2(COc3cccc(F)c3Br)CCC2)Oc2c1ccc1c2CCCC1 ZINC000587507653 JK Annotated Anodyne O=C1C[C@H](C2(COc3cccc(F)c3Br)CCC2)Oc2c1ccc1c2CCCC1 ZINC000587507659 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587507661 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587507667 JK Annotated Reactive O=C1C[C@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587507671 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587507674 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507706 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507708 JK Annotated Reactive CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507730 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587507762 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3cc(F)ccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507764 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587507765 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507766 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3cc(F)ccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507767 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507774 JK Annotated Bother O=C1C[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507779 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)cc1F ZINC000587507788 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)cc1F ZINC000587507791 JK Annotated Bother Cc1nccn1Cc1nc(-c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2F)no1 ZINC000587507794 JK Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2F)no1 ZINC000587507800 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587507810 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587507813 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)ccc1F ZINC000587507818 JK Annotated Bother O=C(O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)ccc1F ZINC000587507821 JK Annotated Bother O=C1C[C@H](c2cc(Br)ccc2I)Oc2c1ccc1c2CCCC1 ZINC000587507835 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2I)Oc2c1ccc1c2CCCC1 ZINC000587507837 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507842 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507844 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccc(Cl)cc12 ZINC000587507861 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccc(Cl)cc12 ZINC000587507862 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccc(F)cc12 ZINC000587507873 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccc(F)cc12 ZINC000587507874 JK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2I)Oc2c1ccc1c2CCCC1 ZINC000587507881 JK Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)cc2I)Oc2c1ccc1c2CCCC1 ZINC000587507882 JK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587507929 JK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587507930 JK Annotated Bother CC(C)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C(=O)O)c(N)nc1O2 ZINC000587507943 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C(=O)O)c(N)nc1O2 ZINC000587507944 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587507958 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587507959 JK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507961 JK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507963 JK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507973 JK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507975 JK Annotated Bother O=C1C[C@](CBr)(c2cc(F)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587507979 JK Annotated Reactive O=C1C[C@@](CBr)(c2cc(F)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587507980 JK Annotated Reactive COCc1cc(C)nc2oc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c(N)c12 ZINC000587507987 JK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c(N)c12 ZINC000587507989 JK Annotated Anodyne C[C@@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507996 JK Annotated Anodyne C[C@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507998 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(F)cccc1Cl ZINC000587508043 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(F)cccc1Cl ZINC000587508047 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508054 JK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508056 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587508078 JK Annotated Anodyne CC1(C)COC(CCC[C@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)OC1 ZINC000587508079 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587508080 JK Annotated Anodyne CC1(C)COC(CCC[C@@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)OC1 ZINC000587508084 JK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587508091 JK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587508100 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nc(Cl)ncc1F ZINC000587508109 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nc(Cl)ncc1F ZINC000587508120 JK Annotated Anodyne O=C1C[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587508125 JK Annotated Anodyne O=C1C[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587508128 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508140 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508141 JK Annotated Anodyne Cc1ccc(OC(F)F)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508160 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508164 JK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508179 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508180 JK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508214 JK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508215 JK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508239 JK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508249 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587508265 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587508268 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508272 JK Annotated Reactive C[C@@]1([C@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508275 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508278 JK Annotated Reactive Cc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)cc3)n2)cc1 ZINC000587508279 JK Annotated Anodyne C[C@@]1([C@@H](Br)Cc2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508281 JK Annotated Reactive Cc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)cc3)n2)cc1 ZINC000587508284 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587508326 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587508329 JK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587508334 JK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587508343 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587508345 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587508354 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587508355 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587508357 JK Annotated Anodyne O=C1C[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508370 JK Annotated Anodyne O=C1C[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508380 JK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508394 JK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508402 JK Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508420 JK Annotated Bother O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508425 JK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587508492 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587508494 JK Annotated Anodyne CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508496 JK Annotated Reactive COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1c(F)cccc1Cl ZINC000587508498 JK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1c(F)cccc1Cl ZINC000587508499 JK Annotated Anodyne O=C1C[C@@H](c2[nH]c3ncc(I)c-3cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508524 JK Annotated Anodyne O=C1C[C@H](c2[nH]c3ncc(I)c-3cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508527 JK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508538 JK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508542 JK Annotated Anodyne O=C1C[C@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508545 JK Annotated Anodyne O=C1C[C@@H](c2c(Cl)[nH]c3cccc(I)c23)Oc2c1ccc1c2CCCC1 ZINC000587508549 JK Annotated Anodyne O=C1C[C@@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508553 JK Annotated Anodyne O=C1C[C@H](c2c(Cl)[nH]c3cccc(I)c23)Oc2c1ccc1c2CCCC1 ZINC000587508554 JK Annotated Anodyne CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508572 JK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3C1=N2 ZINC000587508576 JK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3C1=N2 ZINC000587508588 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508613 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508629 JK Annotated Anodyne O=C1C[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587508663 JK Annotated Reactive O=C1C[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587508673 JK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508695 JK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587508696 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508699 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587508700 JK Annotated Bother O=C1C[C@](c2ccc(F)cc2)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587508701 JK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587508705 JK Annotated Bother Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508771 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508774 JK Annotated Anodyne N#C[C@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508777 JK Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508780 JK Annotated Mild Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccccc1Cl ZINC000587508783 JK Annotated Mild N#C[C@@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508785 JK Annotated Mild N#C[C@@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508788 JK Annotated Mild Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccccc1Cl ZINC000587508793 JK Annotated Mild CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508823 JK Annotated Bother CN(C)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508829 JK Annotated Bother O=C1C[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508848 JK Annotated Anodyne O=C1C[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508851 JK Annotated Anodyne O=C1C[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587508857 JK Annotated Anodyne O=C1C[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587508859 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)c(C)c1 ZINC000587508861 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)c(C)c1 ZINC000587508862 JK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)NC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508865 JK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCO4)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587508899 JK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCO4)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587508900 JK Annotated Anodyne COC(=O)c1cccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 ZINC000587508907 JK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 ZINC000587508908 JK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587508921 JK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587508922 JK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508935 JK Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508936 JK Annotated Bother O=C1C[C@](CBr)(c2c(F)ccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508970 JK Annotated Reactive O=C1C[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508971 JK Annotated Reactive O=C(CN1CCC(C(F)(F)F)CC1)c1c[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587509000 JK Annotated Anodyne O=C(CN1CCC(C(F)(F)F)CC1)c1c[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587509001 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509038 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509040 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(F)cc1F ZINC000587509149 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(F)cc1F ZINC000587509152 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)c(I)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509167 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)c(I)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509169 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1ccc(F)cc1F ZINC000587509183 JK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587509189 JK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587509191 JK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587509192 JK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587509197 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1ccc(F)cc1F ZINC000587509206 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccc(F)cc1 ZINC000587509289 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccc(F)cc1 ZINC000587509292 JK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 ZINC000587509300 JK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 ZINC000587509302 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1c(F)cccc1Cl ZINC000587509319 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1c(F)cccc1Cl ZINC000587509322 JK Annotated Anodyne O=C1C[C@@H](c2c(Br)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 ZINC000587509354 JK Annotated Anodyne O=C1C[C@H](c2c(Br)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 ZINC000587509357 JK Annotated Anodyne CCN(CC)/C(=C(/C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(F)cc1 ZINC000587509360 JK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(F)cc1 ZINC000587509378 JK Annotated Reactive C[C@@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509381 JK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509387 JK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509390 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509391 JK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509392 JK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509393 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587509394 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587509398 JK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509422 JK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509425 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)Oc2c1ccc1c2CCCC1 ZINC000587509434 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509439 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509444 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)Oc2c1ccc1c2CCCC1 ZINC000587509446 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc(C(F)(F)F)c1 ZINC000587509455 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc(C(F)(F)F)c1 ZINC000587509462 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587509504 JK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccccc1Cl ZINC000587509522 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccccc1Cl ZINC000587509530 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587509561 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(Cl)cc1Cl ZINC000587509569 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(Cl)cc1Cl ZINC000587509574 JK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587509662 JK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587509663 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509670 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509674 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509676 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509680 JK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587509684 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587509685 JK Annotated Anodyne Cc1ccc(C(C)C)c(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 ZINC000587509686 JK Annotated Bother CC1=C(c2ccccc2Cl)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587509687 JK Annotated Anodyne Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 ZINC000587509688 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587509691 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587509725 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587509726 JK Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 ZINC000587509730 JK Annotated Bother CCOC(=O)C1CCN(c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 ZINC000587509738 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(Cl)c1Cl ZINC000587509749 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(Cl)c1Cl ZINC000587509751 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587509767 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587509769 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587509783 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587509787 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509790 JK Annotated Bother O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509794 JK Annotated Bother O=C1C[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509818 JK Annotated Anodyne O=C1C[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509821 JK Annotated Anodyne O=C1C[C@](CBr)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509897 JK Annotated Reactive O=C1C[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509898 JK Annotated Reactive Cc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587509901 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587509902 JK Annotated Reactive Cc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587509903 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587509904 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587509909 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587509910 JK Annotated Reactive Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509945 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509946 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587509949 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587509950 JK Annotated Anodyne C[C@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509975 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509976 JK Annotated Anodyne O=C1C[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)Oc2c1ccc1c2CCCC1 ZINC000587509997 JK Annotated Reactive O=C1C[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)Oc2c1ccc1c2CCCC1 ZINC000587510003 JK Annotated Reactive CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587510041 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587510046 JK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510050 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510053 JK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510065 JK Annotated Mild O=C1C[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510069 JK Annotated Mild C[C@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510088 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510090 JK Annotated Anodyne O=C1C[C@](CBr)(c2cccc(SC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510112 JK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(SC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510117 JK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587510128 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587510129 JK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)cc(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587510135 JK Annotated Anodyne O=C1C[C@H](c2cc(Cl)cc(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587510137 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(F)cc1 ZINC000587510138 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(F)cc1 ZINC000587510150 JK Annotated Reactive C[C@@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510161 JK Annotated Anodyne C[C@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510169 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587510210 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587510213 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510219 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510221 JK Annotated Anodyne O=C1C[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587510227 JK Annotated Anodyne O=C1C[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587510229 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510237 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510238 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587510250 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587510253 JK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587510255 JK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587510257 JK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O ZINC000587510266 JK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O ZINC000587510267 JK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510290 JK Annotated Bother CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510296 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510302 JK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510306 JK Annotated Bother C[C@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510324 JK Annotated Bother C[C@@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510332 JK Annotated Bother CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587510342 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587510346 JK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510393 JK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510400 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OCc1ccccc1Cl ZINC000587510424 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OCc1ccccc1Cl ZINC000587510427 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OCc1ccccc1Cl ZINC000587510429 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510430 JK Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OCc1ccccc1Cl ZINC000587510433 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510442 JK Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OCc1ccccc1 ZINC000587510460 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OCc1ccccc1 ZINC000587510463 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587510492 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587510502 JK Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587510505 JK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587510507 JK Annotated Clean Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccccc1 ZINC000587510611 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccccc1 ZINC000587510617 JK Annotated Anodyne O=C1CC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510630 JK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587510643 JK Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587510647 JK Annotated Bother O=C1C[C@@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510654 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510659 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1[N+](=O)[O-] ZINC000587510669 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1[N+](=O)[O-] ZINC000587510671 JK Annotated Bother O=C1C[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510691 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510699 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587510703 JK Annotated Reactive COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510706 JK Annotated Bother O=C1C[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587510708 JK Annotated Reactive COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510712 JK Annotated Bother O=C1C[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510720 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510721 JK Annotated Anodyne O=C1C[C@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510733 JK Annotated Anodyne COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F ZINC000587510739 JK Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F ZINC000587510740 JK Annotated Reactive O=C1C[C@@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510742 JK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510754 JK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510765 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510776 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510777 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510788 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510789 JK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587510801 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587510806 JK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510835 JK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510837 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587510846 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587510847 JK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510870 JK Annotated Bother O=C1C[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510871 JK Annotated Bother Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc(F)cc1 ZINC000587510882 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc(F)cc1 ZINC000587510883 JK Annotated Reactive Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510914 JK Annotated Anodyne O=C1C[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510976 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510977 JK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511000 JK Annotated Anodyne O=C1C[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587511003 JK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511007 JK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587511008 JK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587511012 JK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587511049 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587511053 JK Annotated Reactive O=C1C[C@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587511056 JK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511058 JK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587511059 JK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511061 JK Annotated Anodyne O=C1C[C@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587511062 JK Annotated Anodyne O=C1C[C@@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587511070 JK Annotated Anodyne O=C1C[C@@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587511074 JK Annotated Anodyne O=C1C[C@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587511076 JK Annotated Anodyne O=C1C[C@](CBr)(c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587511082 JK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587511084 JK Annotated Reactive C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511144 JK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511146 JK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587511159 JK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587511164 JK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587511170 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587511173 JK Annotated Bother CCOC(=O)/C=C\c1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511181 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511184 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511187 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511191 JK Annotated Anodyne O=C1CC2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587511197 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587511199 JK Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587511203 JK Annotated Bother CCc1nccn1Cc1nc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1 ZINC000587511251 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1 ZINC000587511256 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587511263 JK Annotated Bother CC(C)(C)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587511265 JK Annotated Bother CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511342 JK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511345 JK Annotated Clean Nc1c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 ZINC000587511424 JK Annotated Bother Nc1c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 ZINC000587511426 JK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587511458 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587511462 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc([N+](=O)[O-])ccc21 ZINC000587511508 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc([N+](=O)[O-])ccc21 ZINC000587511511 JK Annotated Bother CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511515 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511520 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511521 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587511522 JK Annotated Anodyne COc1cc(C[C@]2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O ZINC000587511583 JK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O ZINC000587511584 JK Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1 ZINC000587511590 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1 ZINC000587511593 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccc2c(c1)OCCO2 ZINC000587511626 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccc2c(c1)OCCO2 ZINC000587511627 JK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 ZINC000587511645 JK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 ZINC000587511646 JK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 ZINC000587511649 JK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 ZINC000587511653 JK Annotated Anodyne COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511681 JK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511682 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc([N+](=O)[O-])c21 ZINC000587511752 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc([N+](=O)[O-])c21 ZINC000587511755 JK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1C ZINC000587511796 JK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1C ZINC000587511797 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587511805 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587511807 JK Annotated Bother CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511827 JK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511829 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511856 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511857 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511862 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511864 JK Annotated Anodyne O=C1CC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)Oc2c1ccc1c2CCCC1 ZINC000587511893 JK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587511970 JK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587511973 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587512104 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587512105 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587512130 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587512131 JK Annotated Bother NCCC[C@@H](C(=O)O)[C@]1(c2ccccc2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512147 JK Annotated Anodyne NCCC[C@H](C(=O)O)[C@]1(c2ccccc2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512149 JK Annotated Anodyne NCCC[C@H](C(=O)O)[C@@]1(c2ccccc2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512150 JK Annotated Anodyne NCCC[C@@H](C(=O)O)[C@@]1(c2ccccc2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512151 JK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587512225 JK Annotated Bother O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587512227 JK Annotated Bother O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587512246 JK Annotated Bother O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587512247 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1[N+](=O)[O-] ZINC000587512318 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1[N+](=O)[O-] ZINC000587512323 JK Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587512350 JK Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587512353 JK Annotated Bother Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587512380 JK Annotated Bother Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587512381 JK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587512497 JK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587512499 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587512513 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587512515 JK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cccc1[N+](=O)[O-] ZINC000587512545 JK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cccc1[N+](=O)[O-] ZINC000587512558 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587512606 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587512607 JK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512626 JK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512628 JK Annotated Bother C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512639 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512640 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512642 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512645 JK Annotated Anodyne CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512715 JK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512717 JK Annotated Clean COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587512938 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1nc(C)c([N+](=O)[O-])c1C ZINC000587512939 JK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587513003 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587513004 JK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c2cccc(C)c2)c1 ZINC000587513128 JK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c2cccc(C)c2)c1 ZINC000587513132 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc12 ZINC000587513165 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc12 ZINC000587513166 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587513257 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587513259 JK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587513263 JK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587513266 JK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513430 JK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513436 JK Annotated Bother O=C1C[C@@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587513477 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587513478 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587513525 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587513526 JK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587513527 JK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587513528 JK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513565 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587513567 JK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513568 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587513569 JK Annotated Anodyne O=C1C[C@@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587513584 JK Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587513586 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587513797 JK Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587513805 JK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587513844 JK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587513856 JK Annotated Bother O=C1C[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)Oc2c1ccc1c2CCCC1 ZINC000587513921 JK Annotated Anodyne O=Cc1ccc(N(c2ccccc2)c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587513926 JK Annotated Anodyne O=Cc1ccc(N(c2ccccc2)c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587513928 JK Annotated Anodyne O=C(Oc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000587513936 JK Annotated Bother O=C(Oc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000587513937 JK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513938 JK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513939 JK Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587513948 JK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587513949 JK Annotated Bother O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587513970 JK Annotated Bother O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587513971 JK Annotated Bother COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587513999 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587514000 JK Annotated Anodyne C[C@@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514013 JK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514014 JK Annotated Mild C[C@@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514015 JK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514016 JK Annotated Mild COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514044 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514046 JK Annotated Anodyne COc1ccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)cc1 ZINC000587514056 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)cc1 ZINC000587514060 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514076 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514079 JK Annotated Anodyne O=C1C[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)Oc2c1ccc1c2CCCC1 ZINC000587514089 JK Annotated Anodyne O=C(NC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587514163 JK Annotated Anodyne O=C(NC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587514167 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514303 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514309 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587514358 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587514361 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587514365 JK Annotated Bother C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587514376 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587514377 JK Annotated Bother C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587514380 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514391 JK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514393 JK Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCCCC1 ZINC000587514423 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCCCC1 ZINC000587514426 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587514508 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587514511 JK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587514518 JK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587514519 JK Annotated Anodyne O=Cc1ccc2c(c1)c1cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc1n2Cc1ccccc1 ZINC000587514522 JK Annotated Anodyne O=Cc1ccc2c(c1)c1cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc1n2Cc1ccccc1 ZINC000587514529 JK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514557 JK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514559 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514592 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514593 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587514598 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587514599 JK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 ZINC000587514636 JK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 ZINC000587514640 JK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587514664 JK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587514704 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587514873 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587514874 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587514876 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587514877 JK Annotated Anodyne CN(C)c1ccc(C(=O)[C@@]2(c3ccc(N(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514934 JK Annotated Anodyne CN(C)c1ccc(C(=O)[C@]2(c3ccc(N(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514935 JK Annotated Anodyne COc1ccc(NC(=O)COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587514971 JK Annotated Anodyne COc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587514972 JK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515011 JK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515013 JK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515053 JK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515054 JK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587515065 JK Annotated Anodyne O=C1C[C@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587515066 JK Annotated Anodyne O=C(Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NCc1ccco1 ZINC000587515075 JK Annotated Anodyne O=C(Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NCc1ccco1 ZINC000587515076 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515081 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515082 JK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587515083 JK Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587515085 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587515167 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587515176 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C#N)CC1 ZINC000587515182 JK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C#N)CC1 ZINC000587515200 JK Annotated Mild O=C1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587515355 JK Annotated Anodyne O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587515356 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587515371 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587515372 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nn2C)cc1 ZINC000587515373 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nn2C)cc1 ZINC000587515374 JK Annotated Anodyne O=C(Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)Nc1ccccc1 ZINC000587515403 JK Annotated Anodyne O=C(Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)Nc1ccccc1 ZINC000587515404 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)CC1 ZINC000587515553 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)CC1 ZINC000587515554 JK Annotated Anodyne O=C1C[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)Oc2c1ccc1c2CCCC1 ZINC000587515563 JK Annotated Anodyne O=C1C[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)Oc2c1ccc1c2CCCC1 ZINC000587515564 JK Annotated Anodyne CCC[C@@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515595 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515596 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515597 JK Annotated Anodyne CCC[C@@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515598 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587515600 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587515601 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587515618 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587515621 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587515622 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(C)cc3)n2)cc1 ZINC000587515645 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(C)cc3)n2)cc1 ZINC000587515646 JK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515651 JK Annotated Anodyne COc1ccccc1OCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515652 JK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515659 JK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515660 JK Annotated Anodyne COC(=O)c1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2Cc1cccc(C#N)c1 ZINC000587515679 JK Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2Cc1cccc(C#N)c1 ZINC000587515680 JK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515705 JK Annotated Mild CCn1c(-c2ccccc2)c([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515706 JK Annotated Mild COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587515819 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515881 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515882 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587516103 JK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587516106 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)Oc2c1ccc1c2CCCC1 ZINC000587516113 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)Oc2c1ccc1c2CCCC1 ZINC000587516114 JK Annotated Anodyne N#Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000587516140 JK Annotated Mild N#Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000587516141 JK Annotated Mild Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587516182 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587516183 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1Cc1ccccc1 ZINC000587516215 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1Cc1ccccc1 ZINC000587516216 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1Cc1ccccc1 ZINC000587516217 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1Cc1ccccc1 ZINC000587516218 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)Oc2c1ccc1c2CCCC1 ZINC000587516475 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)Oc2c1ccc1c2CCCC1 ZINC000587516476 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587516526 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587516528 JK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587516680 JK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587516693 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c3cc(O)ccc32)cc1 ZINC000587516702 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c3cc(O)ccc32)cc1 ZINC000587516704 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c1C ZINC000587516720 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c1C ZINC000587516721 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516722 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516723 JK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516908 JK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516912 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587516954 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587516955 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587516962 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587516963 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516964 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516965 JK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516994 JK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516995 JK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCCc4ccccc43)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517000 JK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCCc4ccccc43)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517001 JK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517006 JK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517007 JK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587517008 JK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587517009 JK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517026 JK Annotated Anodyne Cc1ccc([C@@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517027 JK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517028 JK Annotated Anodyne Cc1ccc([C@@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517029 JK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517030 JK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517031 JK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517042 JK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517043 JK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517065 JK Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517066 JK Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517067 JK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517068 JK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517106 JK Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517107 JK Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517108 JK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517109 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587517186 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587517187 JK Annotated Anodyne Nc1c([C@@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 ZINC000587517580 JK Annotated Anodyne Nc1c([C@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 ZINC000587517581 JK Annotated Anodyne O=C(O)c1cccc(-n2cc([C@@]3(c4ccccc4O)CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 ZINC000587517630 JK Annotated Anodyne O=C(O)c1cccc(-n2cc([C@]3(c4ccccc4O)CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 ZINC000587517631 JK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)C1 ZINC000587517632 JK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)C1 ZINC000587517633 JK Annotated Anodyne COc1ccc([C@@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517654 JK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517655 JK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517656 JK Annotated Anodyne COc1ccc([C@@]2([C@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517657 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587517710 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587517711 JK Annotated Anodyne C[C@@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517714 JK Annotated Anodyne C[C@@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517715 JK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517716 JK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517717 JK Annotated Anodyne NN1C(=O)c2cccc3c([C@@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)ccc(c23)C1=O ZINC000587517786 JK Annotated Anodyne NN1C(=O)c2cccc3c([C@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)ccc(c23)C1=O ZINC000587517787 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517948 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517949 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517950 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517951 JK Annotated Anodyne O=C1C[C@H]([C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587517971 JK Annotated Anodyne O=C1C[C@H]([C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587517972 JK Annotated Anodyne O=C1C[C@@H]([C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587517973 JK Annotated Anodyne O=C1C[C@@H]([C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587517974 JK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518071 JK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518072 JK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518073 JK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518074 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587518122 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587518123 JK Annotated Anodyne O=C1C[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587518274 JK Annotated Anodyne O=C1C[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587518275 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 ZINC000587518304 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 ZINC000587518305 JK Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CCCCC2)c1=O ZINC000587518383 JK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CCCCC2)c1=O ZINC000587518384 JK Annotated Mild O=C1C[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518434 JK Annotated Anodyne O=C1C[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518435 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587518447 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587518448 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587518453 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587518454 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518546 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518547 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518548 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587518549 JK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587518727 JK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587518728 JK Annotated Anodyne Cc1c(Nc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587518791 JK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587518792 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587519020 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587519021 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587519022 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587519023 JK Annotated Anodyne O=C1C[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587519130 JK Annotated Anodyne O=C1C[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587519131 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519138 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519139 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519177 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519178 JK Annotated Anodyne O=Cc1ccc(OCCCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587520441 JK Annotated Anodyne O=Cc1ccc(OCCCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587520442 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587520443 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587520444 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587520509 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587520510 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587520519 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587520520 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ON1 ZINC000587520540 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ON1 ZINC000587520541 JK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ON1 ZINC000587520542 JK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ON1 ZINC000587520543 JK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520544 JK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520545 JK Annotated Mild CC(=O)c1cccc(OCCOc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587520548 JK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587520549 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520556 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520557 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccc(C)cc1 ZINC000587520570 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccc(C)cc1 ZINC000587520571 JK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587520587 JK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587520588 JK Annotated Anodyne CCCCCCCCCC1(CCCCCCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520593 JK Annotated Mild CC(C)(C)C1CCC(C[C@H]2C(=O)c3ccccc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)CC1 ZINC000587520654 JK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)CC1 ZINC000587520657 JK Annotated Anodyne CC(C)(C)C1CCC(C[C@H]2C(=O)c3ccccc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)CC1 ZINC000587520658 JK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)CC1 ZINC000587520662 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CC1 ZINC000587520676 JK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520719 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520725 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587520733 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587520743 JK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587520748 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587520751 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587520753 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587520755 JK Annotated Mild CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccc(C)cc1 ZINC000587520773 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccc(C)cc1 ZINC000587520779 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520785 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520790 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587520793 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587520800 JK Annotated Anodyne CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520813 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520823 JK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1C(C)C ZINC000587520825 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1C(C)C ZINC000587520831 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc2ccccc12 ZINC000587520905 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc2ccccc12 ZINC000587520918 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587520931 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587520944 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587520945 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587520946 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc2c(c1)CCC2 ZINC000587521089 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc2c(c1)CCC2 ZINC000587521093 JK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587521221 JK Annotated Anodyne Cc1ccc(C)c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587521229 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587521307 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587521313 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521316 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521319 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521437 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521443 JK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521470 JK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521473 JK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521641 JK Annotated Anodyne COc1ccc([C@@H]2O[C@H]2[C@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521646 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587521709 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587521710 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587521725 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587521726 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521749 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521750 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521785 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521786 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521789 JK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521790 JK Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587521832 JK Annotated Anodyne O=C1C[C@@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587521841 JK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521843 JK Annotated Anodyne COc1ccc([C@@H]2O[C@H]2[C@@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521848 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521850 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521860 JK Annotated Clean O=C1C[C@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 ZINC000587521926 JK Annotated Anodyne O=C1C[C@@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 ZINC000587521959 JK Annotated Anodyne O=C1C[C@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 ZINC000587521963 JK Annotated Anodyne O=C1C[C@@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 ZINC000587521966 JK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522686 JK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522690 JK Annotated Anodyne C[C@@]1(c2ccccc2CCC(=O)OCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522729 JK Annotated Anodyne C[C@]1(c2ccccc2CCC(=O)OCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522736 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C=O)cc1OC ZINC000587522878 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C=O)cc1OC ZINC000587522883 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587522892 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587522893 JK Annotated Anodyne C=CCc1ccccc1OCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587522934 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587522944 JK Annotated Mild COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587522949 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587522958 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522963 JK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522964 JK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522965 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522967 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587522991 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587522993 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587523042 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587523045 JK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587523072 JK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587523080 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCCCCCCCCCCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523154 JK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523159 JK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523163 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCCCCCCCCCCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523173 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc2cccnc12 ZINC000587523245 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc2cccnc12 ZINC000587523248 JK Annotated Anodyne CN(C(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587523308 JK Annotated Anodyne CN(C(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587523309 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523395 JK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523409 JK Annotated Mild CCOc1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1OCC ZINC000587523594 JK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1OCC ZINC000587523595 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523596 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523597 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523718 JK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523721 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587523746 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587523749 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587523829 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587523831 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523844 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523882 JK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524306 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524308 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524310 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524311 JK Annotated Mild CCOc1ccccc1OCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587524388 JK Annotated Anodyne CCOc1ccccc1OCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587524389 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1cccc(C)c1 ZINC000587524428 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1cccc(C)c1 ZINC000587524430 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C(C)C)cc1 ZINC000587524434 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C(C)C)cc1 ZINC000587524435 JK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC)c1ccccc1 ZINC000587524475 JK Annotated Anodyne COC(=O)[C@@H](Oc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC)c1ccccc1 ZINC000587524476 JK Annotated Anodyne COC(=O)[C@@H](Oc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC)c1ccccc1 ZINC000587524477 JK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC)c1ccccc1 ZINC000587524478 JK Annotated Anodyne O=C1C[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587524504 JK Annotated Anodyne O=C1C[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587524513 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524576 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524587 JK Annotated Anodyne O=Cc1ccc(Oc2ccc(Oc3ccc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc3)cc2)cc1 ZINC000587524603 JK Annotated Anodyne O=Cc1ccc(Oc2ccc(Oc3ccc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc3)cc2)cc1 ZINC000587524609 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587524696 JK Annotated Anodyne N#Cc1ccc(-c2nc3cc([C@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)ccc3[nH]2)cc1 ZINC000587524720 JK Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587524726 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587524727 JK Annotated Anodyne N#Cc1ccc(-c2nc3cc([C@@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)ccc3[nH]2)cc1 ZINC000587524728 JK Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587524730 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(Cc3nc4ccccc4o3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524745 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(Cc3nc4ccccc4o3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524753 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524770 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524799 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524920 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524936 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587524952 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587524957 JK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587525036 JK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587525038 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587525120 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587525121 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525122 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525123 JK Annotated Anodyne O=C1C[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525153 JK Annotated Anodyne O=C1C[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525164 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C=O ZINC000587525225 JK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C=O ZINC000587525226 JK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C=O ZINC000587525227 JK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C=O ZINC000587525228 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525237 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525244 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525246 JK Annotated Anodyne COc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525248 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587525323 JK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587525325 JK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525405 JK Annotated Mild C[C@@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525406 JK Annotated Mild CCC[C@@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525458 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525466 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525468 JK Annotated Anodyne CCC[C@@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525470 JK Annotated Anodyne O=C1C[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587525471 JK Annotated Anodyne O=C1C[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587525482 JK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587525543 JK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587525551 JK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587525553 JK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587525566 JK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525614 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525639 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525641 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587525705 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587525709 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587525733 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587525734 JK Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn2c1nc1ccccc12 ZINC000587525751 JK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn2c1nc1ccccc12 ZINC000587525758 JK Annotated Mild C[C@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525765 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525767 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525776 JK Annotated Anodyne O=C1C[C@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525790 JK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1OCC ZINC000587525807 JK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1OCC ZINC000587525809 JK Annotated Anodyne CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525834 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526032 JK Annotated Mild C[C@@]1([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526033 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526092 JK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526095 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526099 JK Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526103 JK Annotated Mild Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587526164 JK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587526170 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc2ccccc2c1 ZINC000587526270 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc2ccccc2c1 ZINC000587526280 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587526318 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587526323 JK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526352 JK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587526366 JK Annotated Anodyne COc1ccc([C@@]2([C@@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587526371 JK Annotated Anodyne COc1ccc([C@@]2([C@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587526374 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587526378 JK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526383 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587526402 JK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526407 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587526414 JK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526430 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526518 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526523 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587526650 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587526652 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587526654 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587526658 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587526660 JK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587526662 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587526694 JK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587526696 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526727 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526728 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587526749 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587526750 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587526751 JK Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587526752 JK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCC ZINC000587526755 JK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCC ZINC000587526756 JK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526763 JK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526764 JK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587526859 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587526860 JK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587526861 JK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587526862 JK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587526889 JK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526890 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587526899 JK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@H](c1cc(C)ccc1C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526903 JK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526906 JK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@@H](c1cc(C)ccc1C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526911 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526951 JK Annotated Anodyne CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526985 JK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526986 JK Annotated Mild CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526988 JK Annotated Anodyne CCCC[C@@H](CC)CCC1(CC[C@H](CC)CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526990 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527021 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527026 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527155 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527158 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527259 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527265 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527279 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527281 JK Annotated Anodyne N#Cc1cccc(-c2nc3ccc([C@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)cc3[nH]2)c1 ZINC000587527287 JK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)cc3[nH]2)c1 ZINC000587527288 JK Annotated Mild CC(C)(C)OC(=O)N1CCn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3cccc(c32)C1 ZINC000587527301 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3cccc(c32)C1 ZINC000587527302 JK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2cc1OC ZINC000587527349 JK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2cc1OC ZINC000587527350 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587527516 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587527524 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527526 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527540 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527542 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527546 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527625 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527626 JK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3)CC(OC)=CC4 ZINC000587527663 JK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3)CC(OC)=CC4 ZINC000587527667 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587527913 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587527916 JK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587527918 JK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587527923 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527926 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527929 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528181 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528182 JK Annotated Mild C[C@]1(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528272 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528273 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528274 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528275 JK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528430 JK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528431 JK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528488 JK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528489 JK Annotated Anodyne C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528498 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528499 JK Annotated Mild C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528500 JK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528501 JK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528502 JK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528503 JK Annotated Mild CC(C)(C)c1ccc([C@H](O)[C@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587528567 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H](O)[C@@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587528568 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H](O)[C@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587528569 JK Annotated Anodyne CC(C)(C)c1ccc([C@H](O)[C@@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587528570 JK Annotated Anodyne O=C1c2cc3ccccc3cc2C2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3ccccc3cc21 ZINC000587528669 JK Annotated Anodyne C[C@]12C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000587528699 JK Annotated Mild C[C@]12C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000587528700 JK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528897 JK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528898 JK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)[C@@]2(C)C=CC(=O)C=C12 ZINC000587529149 JK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)[C@@]2(C)C=CC(=O)C=C12 ZINC000587529150 JK Annotated Mild O=C(O)CCCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529155 JK Annotated Anodyne O=C(O)CCCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529156 JK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C3 ZINC000587529216 JK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C3 ZINC000587529217 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529254 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529255 JK Annotated Anodyne CC(C)(C)c1cc(CC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O ZINC000587529351 JK Annotated Anodyne CC(C)(C)c1cc(CC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O ZINC000587529352 JK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587529439 JK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587529443 JK Annotated Anodyne Cc1c(OC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587529445 JK Annotated Anodyne Cc1c(OC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587529447 JK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529454 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529455 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529456 JK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529457 JK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529458 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529459 JK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529460 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529461 JK Annotated Anodyne Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529462 JK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529463 JK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587529475 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587529476 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529608 JK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529617 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529643 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529650 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529651 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529652 JK Annotated Anodyne O=C1C[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587529661 JK Annotated Mild O=C1C[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587529665 JK Annotated Mild COc1cc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3O2)cc(OC)c1OC ZINC000587529667 JK Annotated Anodyne COc1cc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3O2)cc(OC)c1OC ZINC000587529670 JK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587529681 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587529683 JK Annotated Reactive COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529758 JK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529759 JK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529761 JK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529764 JK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529836 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529840 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529841 JK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529842 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529935 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529937 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587529942 JK Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529945 JK Annotated Bother COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587529946 JK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529949 JK Annotated Bother CCCCCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587529962 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587529967 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3ccc4cccc5ccc2c3c45)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530001 JK Annotated Bother O=C(O)CC[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530003 JK Annotated Bother Cc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2SCC(=O)O)cc1 ZINC000587530007 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl ZINC000587530026 JK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2SCC(=O)O)cc1 ZINC000587530032 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl ZINC000587530035 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587530127 JK Annotated Reactive O=C1C[C@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530133 JK Annotated Anodyne O=C1C[C@@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530141 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587530160 JK Annotated Reactive COC(=O)Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1OC2 ZINC000587530183 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530184 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530186 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1OC2 ZINC000587530188 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530189 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530191 JK Annotated Anodyne C[C@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530207 JK Annotated Anodyne C[C@@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530210 JK Annotated Anodyne O=C1C[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587530213 JK Annotated Reactive O=C1C[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587530220 JK Annotated Reactive O=C1C[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587530233 JK Annotated Clean O=C1C[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587530234 JK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587530236 JK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)C2CC2)cc1 ZINC000587530238 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587530242 JK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)C2CC2)cc1 ZINC000587530244 JK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nn1C ZINC000587530253 JK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nn1C ZINC000587530256 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587530258 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587530264 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530269 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530270 JK Annotated Anodyne O=C(O)CC[C@@]1(c2sc(Cl)c(Cl)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530298 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530303 JK Annotated Anodyne O=C(O)CC[C@]1(c2sc(Cl)c(Cl)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530304 JK Annotated Anodyne O=C1C[C@H](c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587530307 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530312 JK Annotated Anodyne O=C1C[C@@H](c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587530314 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587530354 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587530355 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530415 JK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530418 JK Annotated Clean O=C1C[C@@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)Oc2c1ccc1c2CCCC1 ZINC000587530419 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530420 JK Annotated Clean O=C1C[C@@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)Oc2c1ccc1c2CCCC1 ZINC000587530421 JK Annotated Anodyne O=C1C[C@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)Oc2c1ccc1c2CCCC1 ZINC000587530422 JK Annotated Anodyne O=C1C[C@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)Oc2c1ccc1c2CCCC1 ZINC000587530423 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530424 JK Annotated Clean COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587530459 JK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587530461 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587530462 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1O ZINC000587530464 JK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C3 ZINC000587530497 JK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C3 ZINC000587530499 JK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530505 JK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530506 JK Annotated Mild C[C@H]1COC2=C1C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c2ccc2c1CCCC2(C)C ZINC000587530516 JK Annotated Mild O=C1C[C@@H](c2ccc(Sc3ccc(Br)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587530517 JK Annotated Anodyne C[C@H]1COC2=C1C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c2ccc2c1CCCC2(C)C ZINC000587530518 JK Annotated Mild O=C1C[C@H](c2ccc(Sc3ccc(Br)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587530520 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 ZINC000587530550 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Br)s3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587530552 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)Oc2c1ccc1c2CCCC1 ZINC000587530557 JK Annotated Unstable Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 ZINC000587530560 JK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)Oc2c1ccc1c2CCCC1 ZINC000587530563 JK Annotated Unstable O=C1C[C@@H](c2c(-c3ccc(Br)s3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587530564 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C3=O ZINC000587530588 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C3=O ZINC000587530594 JK Annotated Anodyne O=C1C[C@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530599 JK Annotated Unstable O=C1C[C@@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530607 JK Annotated Unstable Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530660 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530668 JK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587530675 JK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587530677 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530696 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530697 JK Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccc(O)cc3O2)cc1O ZINC000587530708 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccc(O)cc3O2)cc1O ZINC000587530710 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1S(=O)(=O)Cl ZINC000587530712 JK Annotated Unstable O=C1C[C@H](c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587530718 JK Annotated Bother O=C1C[C@@H](c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587530725 JK Annotated Bother COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1S(=O)(=O)Cl ZINC000587530731 JK Annotated Unstable COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530738 JK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530740 JK Annotated Bother O=C1C[C@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530742 JK Annotated Anodyne O=C1C[C@@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530743 JK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530744 JK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530745 JK Annotated Anodyne Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000587530748 JK Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000587530753 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587530774 JK Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587530777 JK Annotated Reactive Cc1cc(OC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587530792 JK Annotated Anodyne Cc1cc(OC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587530794 JK Annotated Anodyne O=C1C[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587530805 JK Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587530810 JK Annotated Bother O=C1C[C@@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587530840 JK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587530843 JK Annotated Anodyne C[C@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530849 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530910 JK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530911 JK Annotated Mild O=C1C[C@@](c2cccs2)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587531019 JK Annotated Reactive O=C1C[C@](c2cccs2)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587531020 JK Annotated Reactive C[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531044 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587531114 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587531115 JK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587531135 JK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587531137 JK Annotated Anodyne O=C1C[C@H](c2cccnc2Sc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531154 JK Annotated Anodyne O=C1C[C@@H](c2cccnc2Sc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531156 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587531171 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587531172 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587531173 JK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587531174 JK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587531179 JK Annotated Unstable O=C1C[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587531180 JK Annotated Unstable Cc1c(OC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 ZINC000587531190 JK Annotated Bother Cc1c(OC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 ZINC000587531192 JK Annotated Bother CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587531196 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587531198 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587531205 JK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587531210 JK Annotated Anodyne C[C@@]1(c2ccccc2NS(=O)(=O)c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531235 JK Annotated Anodyne C[C@]1(c2ccccc2NS(=O)(=O)c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531239 JK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccccc1 ZINC000587531254 JK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccccc1 ZINC000587531255 JK Annotated Anodyne Cn1c(SCc2ccc(Cl)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587531258 JK Annotated Anodyne Cn1c(SCc2ccc(Cl)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587531261 JK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 ZINC000587531264 JK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 ZINC000587531270 JK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531287 JK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531291 JK Annotated Anodyne COc1ccc(OC)c([S@@](=O)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531292 JK Annotated Anodyne COc1ccc(OC)c([S@@](=O)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531294 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C ZINC000587531295 JK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C ZINC000587531299 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531327 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531328 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531361 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531362 JK Annotated Anodyne Cc1coc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587531397 JK Annotated Anodyne Cc1coc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587531398 JK Annotated Anodyne O=C1C[C@@](CCl)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587531441 JK Annotated Reactive O=C1C[C@](CCl)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587531443 JK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531567 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531570 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531584 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531586 JK Annotated Anodyne O=C1CC2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587531631 JK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531654 JK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531660 JK Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3O2)cc1OC ZINC000587531681 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3O2)cc1OC ZINC000587531682 JK Annotated Anodyne Cn1c(Sc2ccc(Cl)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587531685 JK Annotated Anodyne Cn1c(Sc2ccc(Cl)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587531688 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(c1ccc(O)cc1)=CO2 ZINC000587531711 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(c1ccc(O)cc1)=CO2 ZINC000587531712 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587531729 JK Annotated Mild C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531744 JK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531747 JK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531748 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531749 JK Annotated Anodyne C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531766 JK Annotated Unstable C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531767 JK Annotated Unstable O=C(CSC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1Cl ZINC000587531779 JK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1Cl ZINC000587531780 JK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1cccs1 ZINC000587531796 JK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1cccs1 ZINC000587531799 JK Annotated Reactive COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587531808 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587531809 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c-2ccc2c1CCCC2(C)C ZINC000587531810 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c-2ccc2c1CCCC2(C)C ZINC000587531814 JK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587531897 JK Annotated Reactive O=C1C[C@](CBr)(c2ccc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587531900 JK Annotated Reactive Cc1ccc(Sc2oc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Br)cc1 ZINC000587531930 JK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Br)cc1 ZINC000587531937 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccc(O)cc1)O2 ZINC000587531939 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc(C)c1C ZINC000587531941 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc(C)c1C ZINC000587531945 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccc(O)cc1)O2 ZINC000587531946 JK Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587531954 JK Annotated Clean Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587531956 JK Annotated Clean C[C@]1(c2cc(Br)c(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531960 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531962 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531968 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531969 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531988 JK Annotated Anodyne N#CCc1ccc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531998 JK Annotated Mild N#CCc1ccc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532001 JK Annotated Mild CSc1ccc([C@]2(C(C)(C)N3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532004 JK Annotated Anodyne C[C@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532034 JK Annotated Anodyne C[C@@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532044 JK Annotated Anodyne O=Cc1ccc(-c2ccc(C3=S=C([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)C=C3)s2)s1 ZINC000587532066 JK Annotated Clean Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587532070 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587532072 JK Annotated Anodyne O=Cc1ccc(-c2ccc(C3=S=C([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)C=C3)s2)s1 ZINC000587532078 JK Annotated Clean Cc1ccc(S(=O)(=O)Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587532082 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587532085 JK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532129 JK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532132 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532134 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532135 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532136 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532137 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532163 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532164 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532165 JK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532166 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n[nH]1 ZINC000587532177 JK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n[nH]1 ZINC000587532178 JK Annotated Anodyne Cn1nc(CSc2ccc(Cl)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587532179 JK Annotated Anodyne Cn1nc(CSc2ccc(Cl)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587532180 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532190 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532191 JK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532258 JK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532260 JK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587532293 JK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587532297 JK Annotated Anodyne CCOC(=O)C1CCN([C@@H](C)[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587532298 JK Annotated Anodyne CCOC(=O)C1CCN([C@@H](C)[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587532299 JK Annotated Anodyne Cc1coc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587532304 JK Annotated Anodyne Cc1coc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587532305 JK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587532331 JK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587532336 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532345 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532346 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532405 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532406 JK Annotated Anodyne Cc1ccc(Sc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)cc1 ZINC000587532414 JK Annotated Anodyne Cc1ccc(Sc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)cc1 ZINC000587532415 JK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532422 JK Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532424 JK Annotated Bother O=C1C[C@@](CSc2ccccn2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532432 JK Annotated Anodyne O=C1C[C@](CSc2ccccn2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532437 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532447 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532449 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532477 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532479 JK Annotated Anodyne C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532504 JK Annotated Bother C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532506 JK Annotated Bother C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532508 JK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532511 JK Annotated Bother COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1OC ZINC000587532513 JK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1OC ZINC000587532515 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532518 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532519 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532520 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532521 JK Annotated Anodyne CS(=O)(=O)CCSc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532532 JK Annotated Anodyne CS(=O)(=O)CCSc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532537 JK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532542 JK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532543 JK Annotated Anodyne CC([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587532558 JK Annotated Unstable CC([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587532559 JK Annotated Unstable O=C1C[C@@](CBr)(c2sccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587532706 JK Annotated Reactive O=C1C[C@](CBr)(c2sccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587532708 JK Annotated Reactive CN1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Cl)cc2S1(=O)=O ZINC000587532732 JK Annotated Anodyne CN1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Cl)cc2S1(=O)=O ZINC000587532736 JK Annotated Anodyne O=C1C[C@@](Cc2ccccc2)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587532756 JK Annotated Anodyne O=C1C[C@](Cc2ccccc2)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587532759 JK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 ZINC000587532770 JK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 ZINC000587532773 JK Annotated Anodyne O=Cc1sc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1Br ZINC000587532780 JK Annotated Anodyne O=Cc1sc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1Br ZINC000587532781 JK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532868 JK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532869 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC(Sc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)C1 ZINC000587532874 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC(Sc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)C1 ZINC000587532877 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532920 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532922 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532924 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532925 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532926 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532927 JK Annotated Anodyne O=C1C[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 ZINC000587532934 JK Annotated Anodyne O=C1C[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 ZINC000587532936 JK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532952 JK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532953 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587532972 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587532973 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532974 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532975 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532976 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532977 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532986 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532987 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532988 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532989 JK Annotated Anodyne Nc1sccc1[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533080 JK Annotated Anodyne Nc1sccc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533082 JK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1OC ZINC000587533098 JK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1OC ZINC000587533115 JK Annotated Anodyne CSc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587533128 JK Annotated Bother CSc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587533143 JK Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587533232 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587533236 JK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533254 JK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533263 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533268 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533271 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533273 JK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533275 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587533333 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587533352 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533361 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533367 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533378 JK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533383 JK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533386 JK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533393 JK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533415 JK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533417 JK Annotated Anodyne C[C@@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533419 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533421 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533422 JK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533423 JK Annotated Anodyne C[C@@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533424 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533425 JK Annotated Anodyne C[C@@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533426 JK Annotated Anodyne C[C@@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533427 JK Annotated Anodyne Cc1c(O[C@@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCC3 ZINC000587533477 JK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCC3 ZINC000587533478 JK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCC3 ZINC000587533479 JK Annotated Anodyne Cc1c(O[C@@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCC3 ZINC000587533480 JK Annotated Anodyne O=C1C[C@]2(CCCC3=C2[C@H](C2C(=O)CCCC2=O)c2ccccc2O3)Oc2c1ccc1c2CCCC1 ZINC000587533483 JK Annotated Anodyne C[C@]1(c2scc(Br)c2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533495 JK Annotated Anodyne C[C@@]1(c2scc(Br)c2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533496 JK Annotated Anodyne CCOC(=O)c1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(Cc2cccs2)c1C ZINC000587533569 JK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587533570 JK Annotated Anodyne CCOC(=O)c1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(Cc2cccs2)c1C ZINC000587533571 JK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587533575 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533591 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533593 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587533630 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587533631 JK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533632 JK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533634 JK Annotated Anodyne O=C1C[C@@H](c2ccc(Sc3ccc(Br)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587533652 JK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3ccc(Br)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587533654 JK Annotated Anodyne O=C1C[C@@]2(CCCC3=C2[C@@H](C2C(=O)CCCC2=O)c2ccccc2O3)Oc2c1ccc1c2CCCC1 ZINC000587533682 JK Annotated Anodyne O=C1C[C@]2(CCCC3=C2[C@@H](C2C(=O)CCCC2=O)c2ccccc2O3)Oc2c1ccc1c2CCCC1 ZINC000587533684 JK Annotated Anodyne O=C1C[C@@]2(CCCC3=C2[C@H](C2C(=O)CCCC2=O)c2ccccc2O3)Oc2c1ccc1c2CCCC1 ZINC000587533686 JK Annotated Anodyne O=C1C[C@@H](c2cccnc2Sc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587533712 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587533718 JK Annotated Anodyne O=C1C[C@H](c2cccnc2Sc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587533719 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587533720 JK Annotated Anodyne C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533739 JK Annotated Unstable C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533741 JK Annotated Unstable Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587533762 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587533771 JK Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4ccc5c(c4O1)CCCC5)c1c(O)cccc1O3)[C@@H]1C=CO[C@@H]1O2 ZINC000587533809 JK Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4ccc5c(c4O1)CCCC5)c1c(O)cccc1O3)[C@@H]1C=CO[C@H]1O2 ZINC000587533813 JK Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4ccc5c(c4O1)CCCC5)c1c(O)cccc1O3)[C@H]1C=CO[C@H]1O2 ZINC000587533815 JK Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4ccc5c(c4O1)CCCC5)c1c(O)cccc1O3)[C@H]1C=CO[C@@H]1O2 ZINC000587533817 JK Annotated Anodyne O=C1C[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587533894 JK Annotated Anodyne O=C1C[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587533895 JK Annotated Anodyne O=C1C[C@@](c2ccncc2)(c2scc(Br)c2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587533926 JK Annotated Anodyne O=C1C[C@](c2ccncc2)(c2scc(Br)c2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587533927 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533932 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533933 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587533942 JK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587533943 JK Annotated Anodyne O=C(O)CC1(C[C@@]2(c3ccc(Cl)s3)CC(=O)c3ccc4c(c3O2)CCCC4)CCCCC1 ZINC000587533954 JK Annotated Anodyne O=C(O)CC1(C[C@]2(c3ccc(Cl)s3)CC(=O)c3ccc4c(c3O2)CCCC4)CCCCC1 ZINC000587533955 JK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533995 JK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533996 JK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533998 JK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534000 JK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587534007 JK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587534012 JK Annotated Anodyne CC1(C)CCc2c(sc(N)c2[C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587534041 JK Annotated Anodyne CC1(C)CCc2c(sc(N)c2[C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587534044 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534066 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534067 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534068 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534069 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)o1 ZINC000587534072 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)o1 ZINC000587534073 JK Annotated Anodyne COc1ccc(Sc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nn2C)cc1 ZINC000587534084 JK Annotated Anodyne COc1ccc(Sc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nn2C)cc1 ZINC000587534087 JK Annotated Anodyne O=C1C[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)Oc2c1ccc1c2CCCC1 ZINC000587534111 JK Annotated Anodyne O=C1C[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)Oc2c1ccc1c2CCCC1 ZINC000587534115 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1Cl ZINC000587534140 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1Cl ZINC000587534143 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)nc1C ZINC000587534145 JK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)nc1C ZINC000587534149 JK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534152 JK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534153 JK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534160 JK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534161 JK Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534162 JK Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534166 JK Annotated Anodyne O=C1C[C@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587534177 JK Annotated Anodyne O=C1C[C@@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587534181 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534191 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534194 JK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587534225 JK Annotated Anodyne Cc1c(O[C@@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587534226 JK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587534228 JK Annotated Anodyne Cc1c(O[C@@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587534230 JK Annotated Anodyne O=C1C[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587534242 JK Annotated Reactive Nc1sc2c(c1[C@]1(c3ccc(Cl)c(Cl)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587534246 JK Annotated Anodyne O=C1C[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587534248 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(Cl)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587534249 JK Annotated Anodyne O=C1C[C@](CSc2ccccn2)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587534251 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587534253 JK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@H]2[C@@H]1CCCc2ccccc21 ZINC000587534262 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1CCCc2ccccc21 ZINC000587534263 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@H]2[C@H]1CCCc2ccccc21 ZINC000587534264 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1CCCc2ccccc21 ZINC000587534265 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534281 JK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587534282 JK Annotated Reactive C[C@]1(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534283 JK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534284 JK Annotated Anodyne C[C@]1(C[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534285 JK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587534287 JK Annotated Reactive O=C1C[C@@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534290 JK Annotated Anodyne O=C1C[C@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534291 JK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 ZINC000587534295 JK Annotated Bother Cc1c(O[C@@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 ZINC000587534296 JK Annotated Bother Cc1c(O[C@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 ZINC000587534298 JK Annotated Bother Cc1c(O[C@@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 ZINC000587534300 JK Annotated Bother C[C@]1(CSc2nnc(-c3cccc(Br)c3)o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534305 JK Annotated Anodyne C[C@@]1(CSc2nnc(-c3cccc(Br)c3)o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534307 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C ZINC000587534310 JK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C ZINC000587534311 JK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587534354 JK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587534355 JK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3)CC1(CC4)OCCO1 ZINC000587534410 JK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3)CC1(CC4)OCCO1 ZINC000587534415 JK Annotated Anodyne Cn1c(Sc2ccccc2Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587534430 JK Annotated Anodyne Cn1c(Sc2ccccc2Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587534432 JK Annotated Anodyne O=C1C[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534438 JK Annotated Anodyne O=C1C[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534443 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534477 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534489 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534491 JK Annotated Anodyne CN(C)/C=C\[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534493 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587534576 JK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)o1 ZINC000587534580 JK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)o1 ZINC000587534581 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587534588 JK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 ZINC000587534618 JK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 ZINC000587534619 JK Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587534755 JK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587534778 JK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587534780 JK Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587534781 JK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)c(O)cc2O1 ZINC000587534897 JK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)c(O)cc2O1 ZINC000587534907 JK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534987 JK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534988 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534990 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534993 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534995 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534996 JK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535091 JK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535092 JK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535120 JK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535122 JK Annotated Anodyne O=C1CC(c2nc3ccccc3s2)(c2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587535172 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535214 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535217 JK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cnc(Cl)s1 ZINC000587535331 JK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cnc(Cl)s1 ZINC000587535333 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535338 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535339 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c(C#N)c1 ZINC000587535351 JK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c(C#N)c1 ZINC000587535352 JK Annotated Mild CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587535387 JK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587535388 JK Annotated Clean CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587535390 JK Annotated Clean COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587535394 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587535395 JK Annotated Clean COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587535397 JK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccccc1)O2 ZINC000587535461 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587535462 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587535463 JK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccccc1)O2 ZINC000587535464 JK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000587535470 JK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000587535473 JK Annotated Anodyne O=C1C[C@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)Oc2c1ccc1c2CCCC1 ZINC000587535520 JK Annotated Anodyne O=C1C[C@@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)Oc2c1ccc1c2CCCC1 ZINC000587535523 JK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535588 JK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535592 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587535597 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587535598 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535603 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535606 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535612 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535616 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535688 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535693 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 ZINC000587535749 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 ZINC000587535751 JK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535797 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535798 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535799 JK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535800 JK Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535818 JK Annotated Anodyne O=C1C[C@H](c2cnc(N3CCN(Cc4ccccc4)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535819 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc4c(c3)OCO4)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535846 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc4c(c3)OCO4)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535856 JK Annotated Anodyne Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535862 JK Annotated Clean Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535863 JK Annotated Clean Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)CO1 ZINC000587535878 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)CO1 ZINC000587535880 JK Annotated Mild CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535911 JK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535913 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535942 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535946 JK Annotated Mild Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535947 JK Annotated Anodyne O=C1C[C@@H](c2sc(N3CCCCC3)nc2-c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587535954 JK Annotated Anodyne O=C1C[C@H](c2sc(N3CCCCC3)nc2-c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587535955 JK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535968 JK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535969 JK Annotated Anodyne C[C@@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535970 JK Annotated Anodyne C[C@@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535971 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535983 JK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535984 JK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535985 JK Annotated Mild CC(C)(C)C1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(O)cc1O2 ZINC000587536004 JK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(O)cc1O2 ZINC000587536005 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587536029 JK Annotated Clean CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587536030 JK Annotated Clean CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587536031 JK Annotated Clean CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587536032 JK Annotated Clean C[C@H]1COC2=C1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587536072 JK Annotated Anodyne C[C@H]1COC2=C1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587536076 JK Annotated Anodyne CC(C)(C)[C@]1(CSc2nc(-c3ccccc3)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536089 JK Annotated Anodyne CC(C)(C)[C@@]1(CSc2nc(-c3ccccc3)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536091 JK Annotated Anodyne Cc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccc(Cl)cc12 ZINC000587536153 JK Annotated Reactive Cc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccc(Cl)cc12 ZINC000587536154 JK Annotated Reactive COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1OC ZINC000587536205 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1OC ZINC000587536206 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1OC ZINC000587536207 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1OC ZINC000587536208 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587536231 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587536232 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587536233 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587536234 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587536281 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587536284 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587536285 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587536287 JK Annotated Clean Nc1sc2c(c1[C@]1(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587536349 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587536350 JK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536357 JK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536358 JK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)c2C1 ZINC000587536359 JK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)c2C1 ZINC000587536360 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536363 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536364 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536365 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536366 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587536457 JK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587536458 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587536459 JK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1O ZINC000587536460 JK Annotated Anodyne O=C1C[C@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587536543 JK Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587536544 JK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 ZINC000587536545 JK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 ZINC000587536547 JK Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536605 JK Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536606 JK Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536607 JK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536608 JK Annotated Mild Nc1sc2c(c1[C@]1(c3ccc(Cl)cn3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587536641 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cn3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587536642 JK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536681 JK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587536689 JK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536690 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587536691 JK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587536693 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587536694 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587536767 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587536768 JK Annotated Anodyne O=C1C[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)Oc2c1ccc1c2CCCC1 ZINC000587536769 JK Annotated Anodyne O=C1C[C@]2(CCCc3nc(-c4ccccc4Br)sc32)Oc2c1ccc1c2CCCC1 ZINC000587536770 JK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(OCC(=O)O)cc1O2 ZINC000587536810 JK Annotated Anodyne CC1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(OCC(=O)O)cc1O2 ZINC000587536811 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587537091 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587537096 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587537098 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587537099 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587537106 JK Annotated Anodyne C[C@@H](C(=O)O)c1ccc2c(c1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587537108 JK Annotated Anodyne C[C@@H](C(=O)O)c1ccc2c(c1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587537110 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587537111 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537120 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537121 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537122 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537124 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)ccc1Cl ZINC000587537176 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)ccc1Cl ZINC000587537177 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)ccc1Cl ZINC000587537178 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)ccc1Cl ZINC000587537179 JK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537237 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537238 JK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537239 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537240 JK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537285 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537287 JK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)sc2n1 ZINC000587537311 JK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)sc2n1 ZINC000587537312 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc2ccccc12 ZINC000587537315 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc2ccccc12 ZINC000587537316 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc2ccccc12 ZINC000587537317 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc2ccccc12 ZINC000587537318 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccc2)cc1 ZINC000587537333 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccc2)cc1 ZINC000587537334 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccc2)cc1 ZINC000587537335 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccc2)cc1 ZINC000587537337 JK Annotated Reactive CC(C)(C)c1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587537350 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587537351 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](Br)c1ccccc1 ZINC000587537360 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Br)c1ccccc1 ZINC000587537361 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Br)c1ccccc1 ZINC000587537362 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Br)c1ccccc1 ZINC000587537363 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587537366 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587537367 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587537368 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587537369 JK Annotated Reactive CC(C)(C)c1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537374 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537375 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537376 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537377 JK Annotated Anodyne Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537382 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537383 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537384 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537385 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1(c2ccccc2)CC1 ZINC000587537410 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1(c2ccccc2)CC1 ZINC000587537411 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1(c2ccccc2)CC1 ZINC000587537412 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1(c2ccccc2)CC1 ZINC000587537413 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(Br)CCCC1 ZINC000587537434 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(Br)CCCC1 ZINC000587537435 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(Br)CCCC1 ZINC000587537436 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(Br)CCCC1 ZINC000587537437 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1coc2ccccc12 ZINC000587537448 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1coc2ccccc12 ZINC000587537449 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1coc2ccccc12 ZINC000587537450 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1coc2ccccc12 ZINC000587537451 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537460 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537461 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537462 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537463 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 ZINC000587537468 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 ZINC000587537469 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 ZINC000587537470 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)Cc1ccccc1-2 ZINC000587537471 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1Br ZINC000587537490 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1Br ZINC000587537491 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1Br ZINC000587537492 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1Br ZINC000587537493 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCCC2)cc1 ZINC000587537495 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCCC2)cc1 ZINC000587537496 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCCC2)cc1 ZINC000587537497 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCCC2)cc1 ZINC000587537498 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587537543 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587537544 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587537545 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587537546 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537555 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537556 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537557 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537558 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1 ZINC000587537563 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1 ZINC000587537564 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1 ZINC000587537565 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1 ZINC000587537566 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537579 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537580 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537581 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537582 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCBr)cc1 ZINC000587537615 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCBr)cc1 ZINC000587537616 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCBr)cc1 ZINC000587537617 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCBr)cc1 ZINC000587537618 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537637 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537638 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537639 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537640 JK Annotated Reactive CC(C)Oc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537671 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537672 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537673 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537674 JK Annotated Anodyne CCOc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537720 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537722 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537724 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537725 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)c(Br)c1 ZINC000587537732 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)c(Br)c1 ZINC000587537737 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)c(Br)c1 ZINC000587537738 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)c(Br)c1 ZINC000587537739 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537762 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccccc2)no1 ZINC000587537766 JK Annotated Reactive CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537767 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537768 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccccc2)no1 ZINC000587537769 JK Annotated Reactive CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537770 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccccc2)no1 ZINC000587537771 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccccc2)no1 ZINC000587537773 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537793 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537794 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537795 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537796 JK Annotated Reactive C[C@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537815 JK Annotated Reactive C[C@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537816 JK Annotated Reactive C[C@@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537817 JK Annotated Reactive C[C@@]1(c2ccccc2OCCBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537818 JK Annotated Reactive Nc1c(Cl)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587537819 JK Annotated Reactive Nc1c(Cl)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587537820 JK Annotated Reactive Nc1c(Cl)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587537821 JK Annotated Reactive Nc1c(Cl)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587537822 JK Annotated Reactive CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537825 JK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537826 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537829 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537830 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537831 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537832 JK Annotated Reactive CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537853 JK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537859 JK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537860 JK Annotated Anodyne CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537861 JK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537871 JK Annotated Bother C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537873 JK Annotated Bother C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537874 JK Annotated Bother C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537876 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000587537894 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000587537895 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000587537896 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000587537898 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537999 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538000 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538002 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538004 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2cc(Cl)ccc2o1 ZINC000587538070 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2cc(Cl)ccc2o1 ZINC000587538071 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2cc(Cl)ccc2o1 ZINC000587538072 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2cc(Cl)ccc2o1 ZINC000587538073 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587538074 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587538075 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587538076 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587538077 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538086 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538087 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538088 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538089 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1 ZINC000587538122 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1 ZINC000587538123 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1 ZINC000587538124 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1 ZINC000587538125 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccccc2c1 ZINC000587538130 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccccc2c1 ZINC000587538131 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccccc2c1 ZINC000587538132 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccccc2c1 ZINC000587538133 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(Cl)c1 ZINC000587538136 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(Cl)c1 ZINC000587538137 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(Cl)c1 ZINC000587538138 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(Cl)c1 ZINC000587538139 JK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538171 JK Annotated Reactive COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538172 JK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538173 JK Annotated Reactive COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538174 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1Br ZINC000587538223 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1Br ZINC000587538224 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1Br ZINC000587538225 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1Br ZINC000587538226 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538239 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538240 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538241 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538242 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc3c(c2)Nc2ccccc2S3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538252 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)Nc2ccccc2S3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538253 JK Annotated Anodyne CN(C)/C=C\[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538254 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538255 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Cl)c1Cl ZINC000587538270 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Cl)c1Cl ZINC000587538271 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Cl)c1Cl ZINC000587538272 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Cl)c1Cl ZINC000587538273 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587538283 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587538284 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587538285 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587538286 JK Annotated Reactive N#CC[C@@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538355 JK Annotated Mild N#CC[C@@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538356 JK Annotated Mild N#CC[C@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538357 JK Annotated Mild N#CC[C@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538358 JK Annotated Mild Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538363 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538364 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538365 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538366 JK Annotated Clean CCCC[C@@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538392 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538397 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538399 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538400 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc(Br)cc12 ZINC000587538409 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc(Br)cc12 ZINC000587538418 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc(Br)cc12 ZINC000587538421 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc(Br)cc12 ZINC000587538423 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538440 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538441 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538442 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538443 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1ccc(Br)cc1 ZINC000587538452 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1ccc(Br)cc1 ZINC000587538453 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1ccc(Br)cc1 ZINC000587538454 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1ccc(Br)cc1 ZINC000587538455 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587538458 JK Annotated Reactive CC(C)(C)[C@]1(CCc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538477 JK Annotated Anodyne COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587538479 JK Annotated Reactive CC(C)(C)[C@]1(CCc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538480 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538481 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587538483 JK Annotated Reactive CC(C)(C)[C@@]1(CCc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538484 JK Annotated Anodyne COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587538486 JK Annotated Reactive Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Br ZINC000587538487 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Br ZINC000587538488 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Br ZINC000587538491 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Br ZINC000587538493 JK Annotated Clean CCCCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538525 JK Annotated Reactive CC(C)(O)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538528 JK Annotated Anodyne CCCCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538529 JK Annotated Reactive CCCCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538531 JK Annotated Reactive CCCCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538533 JK Annotated Reactive CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538539 JK Annotated Anodyne CC(C)(O)COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538542 JK Annotated Anodyne CC(C)(O)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538544 JK Annotated Anodyne CC(C)(O)COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538546 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538549 JK Annotated Anodyne C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538550 JK Annotated Reactive CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538551 JK Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538552 JK Annotated Anodyne C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538554 JK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538555 JK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538556 JK Annotated Reactive Cc1cc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587538586 JK Annotated Anodyne Cc1cc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587538588 JK Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587538590 JK Annotated Anodyne Cc1cc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587538591 JK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538592 JK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538596 JK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538597 JK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538599 JK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587538609 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587538610 JK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587538611 JK Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587538612 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538613 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538614 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538615 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538616 JK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587538627 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587538628 JK Annotated Anodyne CC(C)(c1ccccc1)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538629 JK Annotated Reactive CC(C)(c1ccccc1)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538630 JK Annotated Reactive CC(C)(c1ccccc1)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538631 JK Annotated Reactive CC(C)(c1ccccc1)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538632 JK Annotated Reactive O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587538639 JK Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587538640 JK Annotated Bother O=C1C[C@@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)Oc2c1ccc1c2CCCC1 ZINC000587538663 JK Annotated Anodyne O=C1C[C@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)Oc2c1ccc1c2CCCC1 ZINC000587538664 JK Annotated Anodyne C[C@@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538671 JK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538672 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538673 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538674 JK Annotated Reactive C[C@@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538675 JK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538676 JK Annotated Reactive C[C@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538679 JK Annotated Anodyne C[C@]1(c2ccc(-n3cccn3)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538680 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1Br ZINC000587538681 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1Br ZINC000587538686 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1Br ZINC000587538689 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1Br ZINC000587538690 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Br)c1O ZINC000587538693 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Br)c1O ZINC000587538695 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Br)c1O ZINC000587538697 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Br)c1O ZINC000587538700 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1 ZINC000587538719 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1 ZINC000587538721 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1 ZINC000587538724 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Br)c2)c1 ZINC000587538725 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1 ZINC000587538727 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Br)c2)c1 ZINC000587538743 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Br)c2)c1 ZINC000587538746 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Br)c2)c1 ZINC000587538748 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1Br)c1ccccc1 ZINC000587538749 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1Br)c1ccccc1 ZINC000587538751 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1Br)c1ccccc1 ZINC000587538754 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1Br)c1ccccc1 ZINC000587538757 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538759 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538762 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538763 JK Annotated Anodyne Nc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538765 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)c2)cc1 ZINC000587538771 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)c2)cc1 ZINC000587538775 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)c2)cc1 ZINC000587538778 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)c2)cc1 ZINC000587538779 JK Annotated Anodyne Cn1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587538788 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2cccc(Br)c12 ZINC000587538792 JK Annotated Anodyne Cn1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587538794 JK Annotated Reactive Cn1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587538796 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2cccc(Br)c12 ZINC000587538797 JK Annotated Anodyne Cn1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587538799 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2cccc(Br)c12 ZINC000587538800 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2cccc(Br)c12 ZINC000587538802 JK Annotated Anodyne CCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538824 JK Annotated Reactive CCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538844 JK Annotated Reactive CCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538846 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)c(Br)c1 ZINC000587538847 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)c(Br)c1 ZINC000587538848 JK Annotated Anodyne CCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538849 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)c(Br)c1 ZINC000587538850 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)c(Br)c1 ZINC000587538852 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Cl)cc(Br)cc12 ZINC000587538875 JK Annotated Anodyne O=C1C[C@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587538877 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Cl)cc(Br)cc12 ZINC000587538878 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Cl)cc(Br)cc12 ZINC000587538879 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Cl)cc(Br)cc12 ZINC000587538880 JK Annotated Anodyne O=C1C[C@@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587538889 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538902 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538903 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538904 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538905 JK Annotated Reactive CC(C)(C)[C@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538914 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538915 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538916 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538918 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@@H](Br)CCCCC[C@@H]2Br ZINC000587538923 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@@H](Br)CCCCC[C@@H]2Br ZINC000587538927 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587538932 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587538935 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587538936 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587538937 JK Annotated Anodyne C[C@]1(c2c[nH]c3cc(Br)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538938 JK Annotated Anodyne C[C@]1(c2c[nH]c3cc(Br)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538939 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cc(Br)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538941 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cc(Br)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538942 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(Br)cc12 ZINC000587538943 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(Br)cc12 ZINC000587538944 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(Br)cc12 ZINC000587538945 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(Br)cc12 ZINC000587538946 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ncc1Br ZINC000587538947 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ncc1Br ZINC000587538948 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ncc1Br ZINC000587538949 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ncc1Br ZINC000587538950 JK Annotated Anodyne CC(C)(Br)C1(C(C)(C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538953 JK Annotated Anodyne CC(C)(Br)C1(C(C)(C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538954 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)c1Cl ZINC000587538963 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)c1Cl ZINC000587538964 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)c1Cl ZINC000587538965 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)c1Cl ZINC000587538966 JK Annotated Anodyne CCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538982 JK Annotated Reactive CCOc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538983 JK Annotated Reactive CCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538984 JK Annotated Reactive CCOc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538985 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538986 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538987 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538988 JK Annotated Reactive [N-]=[N+]=Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538989 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(Cl)c1 ZINC000587539006 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(Cl)c1 ZINC000587539007 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(Cl)c1 ZINC000587539008 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(Cl)c1 ZINC000587539009 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(Cl)cc1 ZINC000587539010 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(Cl)cc1 ZINC000587539011 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(Cl)cc1 ZINC000587539012 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(Cl)cc1 ZINC000587539013 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCCC2 ZINC000587539040 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCCC2 ZINC000587539041 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCCC2 ZINC000587539042 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCCC2 ZINC000587539043 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539048 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539049 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539050 JK Annotated Reactive Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587539067 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587539068 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587539069 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587539070 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539087 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539088 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539089 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539090 JK Annotated Anodyne C=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587539091 JK Annotated Mild C=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587539092 JK Annotated Mild C=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587539093 JK Annotated Mild C=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587539094 JK Annotated Mild CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539111 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539112 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539113 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539114 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(Br)c1 ZINC000587539115 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(Br)c1 ZINC000587539116 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(Br)c1 ZINC000587539117 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(Br)c1 ZINC000587539118 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)C1CCOCC1 ZINC000587539160 JK Annotated Anodyne O=C(O)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539162 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C1CCOCC1 ZINC000587539163 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)C1CCOCC1 ZINC000587539164 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C1CCOCC1 ZINC000587539165 JK Annotated Anodyne O=C(O)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539166 JK Annotated Anodyne O=C(O)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539167 JK Annotated Anodyne O=C(O)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539168 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539173 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539174 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539175 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539176 JK Annotated Anodyne C[C@@]1(c2ccnc3cc(Br)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539185 JK Annotated Anodyne C[C@@]1(c2ccnc3cc(Br)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539186 JK Annotated Anodyne C[C@]1(c2ccnc3cc(Br)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539187 JK Annotated Anodyne C[C@]1(c2ccnc3cc(Br)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539188 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539193 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCc1cc(Br)ccc12 ZINC000587539203 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCc1cc(Br)ccc12 ZINC000587539204 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCc1cc(Br)ccc12 ZINC000587539205 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCc1cc(Br)ccc12 ZINC000587539206 JK Annotated Anodyne COc1ccc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587539215 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587539219 JK Annotated Reactive Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Br)ccc1-2 ZINC000587539220 JK Annotated Anodyne COc1ccc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587539221 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587539222 JK Annotated Reactive Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Br)ccc1-2 ZINC000587539224 JK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Br)ccc1-2 ZINC000587539226 JK Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Br)ccc1-2 ZINC000587539230 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ncc(Br)cn2)c1 ZINC000587539231 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ncc(Br)cn2)c1 ZINC000587539234 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ncc(Br)cn2)c1 ZINC000587539236 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539237 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ncc(Br)cn2)c1 ZINC000587539238 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539240 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539242 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539244 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Br)cc2)c1 ZINC000587539247 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Br)cc2)c1 ZINC000587539248 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(Br)cc2)c1 ZINC000587539249 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(Br)cc2)c1 ZINC000587539251 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539262 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539264 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539266 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539268 JK Annotated Anodyne CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539289 JK Annotated Anodyne CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539290 JK Annotated Anodyne CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539291 JK Annotated Anodyne CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587539294 JK Annotated Anodyne CN(C)c1[nH]c2cc(Br)ccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539297 JK Annotated Anodyne CN(C)c1[nH]c2cc(Br)ccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539298 JK Annotated Anodyne CN(C)c1[nH]c2cc(Br)ccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539299 JK Annotated Anodyne CN(C)c1[nH]c2cc(Br)ccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539300 JK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539320 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539321 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539322 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539323 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)c(Cl)c1 ZINC000587539334 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)c(Cl)c1 ZINC000587539335 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)c(Cl)c1 ZINC000587539336 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)c(Cl)c1 ZINC000587539337 JK Annotated Reactive CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539338 JK Annotated Reactive CC(C)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539339 JK Annotated Reactive CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539340 JK Annotated Reactive CC(C)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539341 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(COc2ccccc2Br)CCC1 ZINC000587539351 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(COc2ccccc2Br)CCC1 ZINC000587539352 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(COc2ccccc2Br)CCC1 ZINC000587539353 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(COc2ccccc2Br)CCC1 ZINC000587539354 JK Annotated Anodyne C=CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587539420 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587539421 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587539423 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587539424 JK Annotated Mild CCCCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539442 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539443 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539445 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539447 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2)cc1 ZINC000587539455 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2)cc1 ZINC000587539458 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2)cc1 ZINC000587539459 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2)cc1 ZINC000587539461 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Cl)c(Cl)c1O ZINC000587539463 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Br)ccc1O ZINC000587539465 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Cl)c(Cl)c1O ZINC000587539466 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Br)ccc1O ZINC000587539467 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Cl)c(Cl)c1O ZINC000587539468 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Br)ccc1O ZINC000587539469 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Cl)c(Cl)c1O ZINC000587539470 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Br)ccc1O ZINC000587539472 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Br)cc1 ZINC000587539497 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Br)cc1 ZINC000587539498 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Br)cc1 ZINC000587539499 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Br)cc1 ZINC000587539500 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)Oc2c1ccc1c2CCCC1 ZINC000587539508 JK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)Oc2c1ccc1c2CCCC1 ZINC000587539511 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)cc1Cl ZINC000587539512 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)cc1Cl ZINC000587539513 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)cc1Cl ZINC000587539514 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)cc1Cl ZINC000587539515 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCC2 ZINC000587539532 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCC2 ZINC000587539533 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCC2 ZINC000587539534 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCC2 ZINC000587539535 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587539536 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587539537 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587539538 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587539539 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CBr)cc1 ZINC000587539540 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CBr)cc1 ZINC000587539541 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CBr)cc1 ZINC000587539542 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CBr)cc1 ZINC000587539543 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)cc1 ZINC000587539548 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(CBr)c1 ZINC000587539549 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)cc1 ZINC000587539550 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)cc1 ZINC000587539551 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(CBr)c1 ZINC000587539552 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)cc1 ZINC000587539553 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(CBr)c1 ZINC000587539554 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Cl)cc(Br)cc12 ZINC000587539575 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Cl)cc(Br)cc12 ZINC000587539576 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Cl)cc(Br)cc12 ZINC000587539577 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Cl)cc(Br)cc12 ZINC000587539578 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C1CCOCC1 ZINC000587539595 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C1CCOCC1 ZINC000587539596 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C1CCOCC1 ZINC000587539597 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C1CCOCC1 ZINC000587539598 JK Annotated Anodyne Cc1cc(Br)cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587539603 JK Annotated Anodyne Cc1cc(Br)cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587539604 JK Annotated Anodyne Cc1cc(Br)cc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587539605 JK Annotated Anodyne Cc1cc(Br)cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587539606 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000587539619 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000587539620 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000587539621 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000587539622 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000587539623 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000587539624 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000587539625 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000587539626 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(CBr)c1 ZINC000587539649 JK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587539651 JK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587539653 JK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587539654 JK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 ZINC000587539655 JK Annotated Reactive CC(C)Oc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539670 JK Annotated Reactive CC(C)Oc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539671 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539672 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539673 JK Annotated Reactive C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539680 JK Annotated Reactive C[C@H](Br)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539681 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539682 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539683 JK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587539684 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587539685 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587539700 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587539701 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587539702 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587539703 JK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc(Br)cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587539704 JK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Br)cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587539705 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587539714 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587539715 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587539716 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c(Cl)c1O ZINC000587539717 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539732 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539734 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539735 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539737 JK Annotated Anodyne C#CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587539739 JK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587539740 JK Annotated Mild C#CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587539742 JK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587539744 JK Annotated Mild CCc1cc(Br)ccc1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539746 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539747 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539748 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539749 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587539781 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587539784 JK Annotated Anodyne Cc1cc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587539785 JK Annotated Anodyne Cc1cc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587539786 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539795 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539796 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539797 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539798 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539799 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539800 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539801 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539802 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1Br ZINC000587539811 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1Br ZINC000587539812 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1Br ZINC000587539813 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1Br ZINC000587539814 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539823 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539824 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539825 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539826 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1N1CCCC1 ZINC000587539831 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1N1CCCC1 ZINC000587539832 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1N1CCCC1 ZINC000587539833 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1N1CCCC1 ZINC000587539834 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc(Br)ccc1CC21CCOCC1 ZINC000587539888 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc(Br)ccc1CC21CCOCC1 ZINC000587539893 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc(Br)ccc1CC21CCOCC1 ZINC000587539894 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc(Br)ccc1CC21CCOCC1 ZINC000587539895 JK Annotated Anodyne C[C@@]1(c2oc3ccccc3c2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539896 JK Annotated Anodyne C[C@]1(c2oc3ccccc3c2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539897 JK Annotated Anodyne C[C@]1(c2oc3ccccc3c2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539898 JK Annotated Anodyne C[C@@]1(c2oc3ccccc3c2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539899 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cccc1Cl ZINC000587539929 JK Annotated Reactive CC[C@@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539930 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cccc1Cl ZINC000587539931 JK Annotated Reactive CC[C@@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539932 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cccc1Cl ZINC000587539933 JK Annotated Reactive CC[C@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539934 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cccc1Cl ZINC000587539935 JK Annotated Reactive CC[C@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539936 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C2CCCCC2)cc1 ZINC000587539944 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C2CCCCC2)cc1 ZINC000587539950 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C2CCCCC2)cc1 ZINC000587539952 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C2CCCCC2)cc1 ZINC000587539953 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2ccccc2o1 ZINC000587539958 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc2ccccc2o1 ZINC000587539959 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2ccccc2o1 ZINC000587539961 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc2ccccc2o1 ZINC000587539962 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587539978 JK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539982 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539983 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539984 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539985 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587539986 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587539989 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587539992 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccc(Br)n1 ZINC000587540038 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccc(Br)n1 ZINC000587540041 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccc(Br)n1 ZINC000587540043 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccc(Br)n1 ZINC000587540044 JK Annotated Anodyne Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587540055 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587540056 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587540057 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587540058 JK Annotated Reactive CC(C)(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540067 JK Annotated Reactive CC(C)(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540068 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540069 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540070 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)c(Br)c1)C1CC1 ZINC000587540082 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)c(Br)c1)C1CC1 ZINC000587540083 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)c(Br)c1)C1CC1 ZINC000587540084 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)c(Br)c1)C1CC1 ZINC000587540085 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540098 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540099 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540100 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540101 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540102 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540103 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540104 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540105 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587540110 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587540111 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587540112 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587540113 JK Annotated Anodyne CCOCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540128 JK Annotated Anodyne CCOCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540129 JK Annotated Anodyne CCOCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540130 JK Annotated Anodyne CCOCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540131 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540144 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540145 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540146 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540147 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540160 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540161 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540162 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540163 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587540241 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587540242 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587540243 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587540245 JK Annotated Clean C[C@@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540257 JK Annotated Anodyne C[C@@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540258 JK Annotated Anodyne C[C@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540259 JK Annotated Anodyne C[C@]1(c2ccc(-n3ccnc3)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540260 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540273 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540274 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540275 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540276 JK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540277 JK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540278 JK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540279 JK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540280 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(C)C ZINC000587540281 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(C)C ZINC000587540282 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(C)C ZINC000587540283 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(C)C ZINC000587540284 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2cccc(Br)c2)[nH]1 ZINC000587540305 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2cccc(Br)c2)[nH]1 ZINC000587540306 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2cccc(Br)c2)[nH]1 ZINC000587540307 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2cccc(Br)c2)[nH]1 ZINC000587540308 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587540325 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587540326 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587540327 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587540328 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnccc1-c1cccc(Br)c1 ZINC000587540353 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnccc1-c1cccc(Br)c1 ZINC000587540354 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnccc1-c1cccc(Br)c1 ZINC000587540355 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnccc1-c1cccc(Br)c1 ZINC000587540356 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540361 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540362 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540363 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540364 JK Annotated Anodyne C=CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540365 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540366 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540367 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540368 JK Annotated Mild CCCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540373 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540374 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540375 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540376 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(Br)c1 ZINC000587540377 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(Br)c1 ZINC000587540378 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(Br)c1 ZINC000587540379 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(Br)c1 ZINC000587540380 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540381 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540382 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540383 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540384 JK Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540389 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540390 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540391 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540392 JK Annotated Reactive CC(C)CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540405 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540406 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540407 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540408 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1Br ZINC000587540423 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1Br ZINC000587540424 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1Br ZINC000587540425 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1Br ZINC000587540426 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540455 JK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540456 JK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540457 JK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540458 JK Annotated Bother O=C(O)CC[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540463 JK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540464 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540465 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540466 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1 ZINC000587540467 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1 ZINC000587540468 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1 ZINC000587540469 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1 ZINC000587540470 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540491 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540492 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540493 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540494 JK Annotated Anodyne CCOc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540507 JK Annotated Anodyne CCOc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540509 JK Annotated Anodyne CCOc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540510 JK Annotated Anodyne CCOc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540511 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1Br)CC2 ZINC000587540516 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1Br)CC2 ZINC000587540517 JK Annotated Anodyne O=C(O)c1cc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587540530 JK Annotated Anodyne O=C(O)c1cc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587540531 JK Annotated Anodyne O=C(O)c1cc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587540532 JK Annotated Anodyne O=C(O)c1cc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587540533 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCC1OCCCO1)c1ccccc1Cl ZINC000587540554 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCC1OCCCO1)c1ccccc1Cl ZINC000587540555 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCC1OCCCO1)c1ccccc1Cl ZINC000587540556 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCC1OCCCO1)c1ccccc1Cl ZINC000587540558 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCC ZINC000587540562 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCC ZINC000587540563 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCC ZINC000587540564 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCC ZINC000587540565 JK Annotated Anodyne COc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540566 JK Annotated Anodyne COc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540567 JK Annotated Anodyne COc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540568 JK Annotated Anodyne COc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540569 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1N1CCCC1 ZINC000587540570 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1N1CCCC1 ZINC000587540571 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1N1CCCC1 ZINC000587540572 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1N1CCCC1 ZINC000587540573 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Br)cc1Cl ZINC000587540578 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Br)cc1Cl ZINC000587540579 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Br)cc1Cl ZINC000587540581 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Br)cc1Cl ZINC000587540583 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1N1CCCCC1 ZINC000587540599 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1N1CCCCC1 ZINC000587540601 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1N1CCCCC1 ZINC000587540602 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1N1CCCCC1 ZINC000587540603 JK Annotated Anodyne Nc1cc(Br)ccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540605 JK Annotated Anodyne Nc1cc(Br)ccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540607 JK Annotated Anodyne Nc1cc(Br)ccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540608 JK Annotated Anodyne Nc1cc(Br)ccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540609 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540610 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540611 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540612 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540613 JK Annotated Anodyne CC(C)[C@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540651 JK Annotated Anodyne CC(C)[C@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540653 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540655 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540657 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000587540662 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000587540664 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000587540666 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000587540668 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587540678 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587540680 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587540683 JK Annotated Anodyne C[C@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540684 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587540685 JK Annotated Anodyne C[C@@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540687 JK Annotated Anodyne C[C@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540688 JK Annotated Anodyne C[C@@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540690 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587540692 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587540698 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587540700 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587540701 JK Annotated Clean O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587540703 JK Annotated Anodyne O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587540705 JK Annotated Anodyne O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587540707 JK Annotated Anodyne O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587540708 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540714 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540715 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540716 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540717 JK Annotated Anodyne CC(C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540738 JK Annotated Anodyne CC(C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540740 JK Annotated Anodyne CC(C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540742 JK Annotated Anodyne CC(C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540744 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540765 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540768 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540770 JK Annotated Anodyne CC1(COc2cc(Br)ccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587540772 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540773 JK Annotated Anodyne CC1(COc2cc(Br)ccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587540774 JK Annotated Anodyne CC1(COc2cc(Br)ccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587540776 JK Annotated Anodyne CC1(COc2cc(Br)ccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587540778 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)c2)o1 ZINC000587540788 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)c2)o1 ZINC000587540790 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1c(Cl)cccc1Cl ZINC000587540791 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)c2)o1 ZINC000587540792 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)c2)o1 ZINC000587540793 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1c(Cl)cccc1Cl ZINC000587540794 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1c(Cl)cccc1Cl ZINC000587540795 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1c(Cl)cccc1Cl ZINC000587540798 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540831 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540832 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540833 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540834 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587540839 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587540840 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587540841 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587540842 JK Annotated Anodyne CCC#CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540853 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540854 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540855 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540856 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Br)c1 ZINC000587540857 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Br)c1 ZINC000587540858 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Br)c1 ZINC000587540859 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Br)c1 ZINC000587540860 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540861 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540862 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540863 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540864 JK Annotated Anodyne Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540903 JK Annotated Reactive Nc1cc(Br)ccc1[C@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540905 JK Annotated Reactive Nc1cc(Br)ccc1[C@@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540907 JK Annotated Reactive Nc1cc(Br)ccc1[C@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540908 JK Annotated Reactive Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540910 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1N1CCCCC1 ZINC000587540918 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1N1CCCCC1 ZINC000587540919 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1N1CCCCC1 ZINC000587540920 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1N1CCCCC1 ZINC000587540921 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540923 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540924 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540925 JK Annotated Anodyne C=CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540937 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540941 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540943 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540945 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540952 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540954 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540956 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540958 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Br)c2)cc1 ZINC000587540970 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Br)c2)cc1 ZINC000587540971 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Br)c2)cc1 ZINC000587540972 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Br)c2)cc1 ZINC000587540973 JK Annotated Anodyne C=CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540995 JK Annotated Mild C=CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540996 JK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587540997 JK Annotated Mild C=CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587540998 JK Annotated Mild COc1c(Br)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541049 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541050 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541051 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541052 JK Annotated Anodyne Cc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541057 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541058 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541059 JK Annotated Anodyne Cc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541060 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1Cl)C1CC1 ZINC000587541061 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1Cl)C1CC1 ZINC000587541062 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1Cl)C1CC1 ZINC000587541063 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1Cl)C1CC1 ZINC000587541064 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541069 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541070 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541071 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541072 JK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541089 JK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541090 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541091 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541092 JK Annotated Anodyne Cc1c(Br)ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587541101 JK Annotated Anodyne Cc1c(Br)ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587541102 JK Annotated Anodyne Cc1c(Br)ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587541103 JK Annotated Anodyne Cc1c(Br)ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587541104 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000587541113 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000587541114 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000587541115 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000587541116 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(Br)c1 ZINC000587541117 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(Br)c1 ZINC000587541118 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)c(Br)c1 ZINC000587541119 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)c(Br)c1 ZINC000587541120 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541142 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541144 JK Annotated Anodyne Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541155 JK Annotated Anodyne Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541156 JK Annotated Anodyne Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541157 JK Annotated Anodyne Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541158 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587541159 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587541160 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587541161 JK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587541162 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000587541203 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000587541204 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000587541205 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000587541206 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000587541211 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000587541212 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000587541213 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000587541214 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 ZINC000587541215 JK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 ZINC000587541216 JK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 ZINC000587541217 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CCl)cc21 ZINC000587541218 JK Annotated Reactive CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541223 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541224 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541225 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541226 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587541227 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587541228 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587541229 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587541230 JK Annotated Anodyne N#CCCn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587541259 JK Annotated Reactive N#CCCn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587541260 JK Annotated Reactive N#CCCn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587541261 JK Annotated Reactive N#CCCn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587541262 JK Annotated Reactive C[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541279 JK Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541280 JK Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541281 JK Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541282 JK Annotated Anodyne CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541283 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541284 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541285 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541286 JK Annotated Reactive C[C@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541287 JK Annotated Anodyne C[C@@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541288 JK Annotated Anodyne C[C@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541289 JK Annotated Anodyne C[C@@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541290 JK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587541311 JK Annotated Reactive COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587541312 JK Annotated Reactive COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587541313 JK Annotated Reactive COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587541314 JK Annotated Reactive CCOCCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541343 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541344 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541357 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541358 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541359 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541360 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1Br ZINC000587541365 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1Br ZINC000587541366 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1Br ZINC000587541367 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1Br ZINC000587541368 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1Br ZINC000587541381 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1Br ZINC000587541382 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1Br ZINC000587541383 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1Br ZINC000587541384 JK Annotated Reactive CC[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541409 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541410 JK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541411 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541412 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(Br)c1 ZINC000587541413 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(Br)c1 ZINC000587541414 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(Br)c1 ZINC000587541415 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(Br)c1 ZINC000587541416 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1N1CCCC1 ZINC000587541429 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1N1CCCC1 ZINC000587541430 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1N1CCCC1 ZINC000587541431 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1N1CCCC1 ZINC000587541432 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541433 JK Annotated Anodyne COc1ccc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587541434 JK Annotated Reactive CCCCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541435 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541436 JK Annotated Anodyne COc1ccc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587541437 JK Annotated Reactive CCCCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541438 JK Annotated Anodyne COc1ccc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587541439 JK Annotated Reactive COc1ccc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587541441 JK Annotated Reactive O=C(O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587541496 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587541499 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587541500 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587541502 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587541516 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587541520 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587541522 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587541524 JK Annotated Reactive Cc1cc(O)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587541556 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587541557 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587541558 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587541559 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000587541568 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000587541569 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000587541570 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000587541571 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000587541576 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000587541577 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000587541579 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000587541581 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587541583 JK Annotated Anodyne C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541584 JK Annotated Reactive Cc1c(Cl)cccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587541585 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587541586 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587541587 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000587541588 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000587541589 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000587541590 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000587541591 JK Annotated Anodyne C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541592 JK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541593 JK Annotated Anodyne C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541594 JK Annotated Reactive C[C@]1(c2oc3ccccc3c2NC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541595 JK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541597 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541603 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541605 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587541612 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587541614 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587541617 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587541618 JK Annotated Reactive O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587541623 JK Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587541624 JK Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587541625 JK Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587541626 JK Annotated Anodyne C=CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587541631 JK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587541632 JK Annotated Mild C=CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587541633 JK Annotated Mild C=CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587541634 JK Annotated Mild CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541635 JK Annotated Bother CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541636 JK Annotated Bother CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541637 JK Annotated Bother CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541638 JK Annotated Bother Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587541651 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587541652 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587541653 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587541654 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541693 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541694 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541695 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541696 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541713 JK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541714 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541715 JK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541716 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587541717 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587541718 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587541719 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587541720 JK Annotated Reactive COCCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541762 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541763 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541764 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541765 JK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541782 JK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541784 JK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541785 JK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541786 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OC(C)C ZINC000587541797 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OC(C)C ZINC000587541798 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OC(C)C ZINC000587541799 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OC(C)C ZINC000587541800 JK Annotated Anodyne CC(C)(C)[C@]1(c2cc(Br)ccc2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541813 JK Annotated Anodyne CC(C)(C)[C@]1(c2cc(Br)ccc2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541814 JK Annotated Anodyne CC(C)(C)[C@@]1(c2cc(Br)ccc2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541815 JK Annotated Anodyne CC(C)(C)[C@@]1(c2cc(Br)ccc2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541816 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541833 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541834 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541835 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541836 JK Annotated Anodyne C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541861 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541863 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541864 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541865 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587541866 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587541875 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587541876 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587541877 JK Annotated Reactive CC[C@H](C)Oc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541910 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541913 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541914 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541916 JK Annotated Anodyne COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C ZINC000587541921 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C ZINC000587541925 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C ZINC000587541926 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C(C)C)c1C ZINC000587541928 JK Annotated Reactive COC(=O)c1cc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541959 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541963 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541964 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541965 JK Annotated Anodyne Nc1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541988 JK Annotated Anodyne Nc1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541989 JK Annotated Anodyne Nc1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541991 JK Annotated Anodyne Nc1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541993 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Cl)cc2c1=O ZINC000587541995 JK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542000 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Cl)cc2c1=O ZINC000587542001 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Cl)cc2c1=O ZINC000587542002 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Cl)cc2c1=O ZINC000587542003 JK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542005 JK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542006 JK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542007 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542008 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542009 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542010 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542011 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587542013 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587542015 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587542017 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587542020 JK Annotated Reactive C[C@H](Oc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587542023 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587542024 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587542025 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587542026 JK Annotated Anodyne COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542112 JK Annotated Anodyne COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542113 JK Annotated Anodyne COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542114 JK Annotated Anodyne COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542116 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1Br ZINC000587542143 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1Br ZINC000587542145 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1Br ZINC000587542147 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1Br ZINC000587542149 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Br)cc1Cl ZINC000587542150 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Br)cc1Cl ZINC000587542151 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Br)cc1Cl ZINC000587542152 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Br)cc1Cl ZINC000587542153 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542174 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542175 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542176 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542177 JK Annotated Anodyne CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542206 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542210 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542211 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542212 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587542233 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587542234 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587542235 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587542236 JK Annotated Reactive COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542243 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542244 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542245 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542246 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc(C)c1Cl ZINC000587542282 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc(C)c1Cl ZINC000587542284 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc(C)c1Cl ZINC000587542286 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587542288 JK Annotated Reactive Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc(C)c1Cl ZINC000587542289 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587542294 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542295 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587542296 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542297 JK Annotated Anodyne CC(C)c1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587542298 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542299 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542301 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000587542303 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000587542308 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000587542311 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000587542313 JK Annotated Bother CCOC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542314 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542315 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542316 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542317 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542319 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542323 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542325 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542327 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587542346 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587542349 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587542351 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587542353 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000587542363 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000587542365 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000587542367 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000587542369 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542378 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542379 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542380 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1Cl ZINC000587542382 JK Annotated Anodyne C=CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542422 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542423 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542425 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542427 JK Annotated Mild C[C@]1([C@H](C#N)c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542428 JK Annotated Mild C[C@]1([C@H](C#N)c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542430 JK Annotated Mild Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542431 JK Annotated Reactive C[C@]1([C@@H](C#N)c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542432 JK Annotated Mild C[C@]1([C@@H](C#N)c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542433 JK Annotated Mild Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542435 JK Annotated Reactive Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542438 JK Annotated Reactive Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542440 JK Annotated Reactive CCN(CC)c1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542441 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542443 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542444 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542445 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2Br)o1 ZINC000587542450 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2Br)o1 ZINC000587542451 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2Br)o1 ZINC000587542452 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2Br)o1 ZINC000587542453 JK Annotated Anodyne C=CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542461 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542463 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542464 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542466 JK Annotated Mild CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542467 JK Annotated Anodyne CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542469 JK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542471 JK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542473 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Br)c1 ZINC000587542482 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Br)c1 ZINC000587542483 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Br)c1 ZINC000587542484 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Br)c1 ZINC000587542485 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1N1CCCCC1 ZINC000587542486 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1N1CCCCC1 ZINC000587542488 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1N1CCCCC1 ZINC000587542490 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1N1CCCCC1 ZINC000587542492 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1Br ZINC000587542494 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1Br ZINC000587542495 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1Br ZINC000587542496 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1Br ZINC000587542497 JK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542498 JK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542499 JK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542500 JK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542501 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1cccc(Br)c1 ZINC000587542510 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1cccc(Br)c1 ZINC000587542511 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1cccc(Br)c1 ZINC000587542512 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1cccc(Br)c1 ZINC000587542513 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542545 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542546 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542547 JK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542548 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1F ZINC000587542553 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1F ZINC000587542558 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1F ZINC000587542560 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1F ZINC000587542561 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1F ZINC000587542600 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1F ZINC000587542602 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1F ZINC000587542604 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1F ZINC000587542605 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2c(Br)cc(Cl)cn12 ZINC000587542620 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2c(Br)cc(Cl)cn12 ZINC000587542622 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2c(Br)cc(Cl)cn12 ZINC000587542624 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2c(Br)cc(Cl)cn12 ZINC000587542625 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Br)o1 ZINC000587542626 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Br)o1 ZINC000587542629 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Br)o1 ZINC000587542631 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Br)o1 ZINC000587542632 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000587542633 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000587542635 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000587542637 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000587542639 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 ZINC000587542651 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 ZINC000587542655 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 ZINC000587542656 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1OCc1ccccc1 ZINC000587542657 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587542666 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587542667 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@]3(CCCCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587542669 JK Annotated Reactive N#Cc1ccc2[nH]cc([C@@]3(CCCCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587542671 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1 ZINC000587542673 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1 ZINC000587542675 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1 ZINC000587542676 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1 ZINC000587542677 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000587542695 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000587542698 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000587542700 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000587542701 JK Annotated Anodyne O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542702 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000587542710 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000587542711 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000587542713 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000587542715 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccccc1 ZINC000587542718 JK Annotated Reactive O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542721 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccccc1 ZINC000587542723 JK Annotated Reactive Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587542756 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587542759 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587542760 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587542763 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccc1Cl)c1ccccc1Cl ZINC000587542795 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccccc1Cl)c1ccccc1Cl ZINC000587542796 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542797 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542803 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542806 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542808 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1Br ZINC000587542823 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1Br ZINC000587542824 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1Br ZINC000587542825 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1Br ZINC000587542827 JK Annotated Anodyne C[C@H](C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587542838 JK Annotated Anodyne C[C@H](C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587542842 JK Annotated Anodyne C[C@H](C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587542844 JK Annotated Anodyne C[C@H](C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587542846 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542849 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000587542860 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000587542862 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000587542864 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000587542866 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1N1CCCCC1 ZINC000587542868 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1O ZINC000587542869 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1N1CCCCC1 ZINC000587542870 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1N1CCCCC1 ZINC000587542871 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1N1CCCCC1 ZINC000587542872 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542874 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542876 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542878 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1O ZINC000587542882 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1O ZINC000587542883 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1O ZINC000587542885 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587542892 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587542897 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587542899 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587542900 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542907 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542912 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542914 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542916 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542923 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542926 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542927 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000587542929 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587542932 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587542934 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587542935 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587542936 JK Annotated Bother COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1Cl ZINC000587542949 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1Cl ZINC000587542952 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1Cl ZINC000587542954 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1Cl ZINC000587542956 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587542995 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587542997 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587542998 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587542999 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543008 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543010 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543012 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543014 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccc(Br)cc12 ZINC000587543035 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccc(Br)cc12 ZINC000587543036 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccc(Br)cc12 ZINC000587543037 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccc(Br)cc12 ZINC000587543038 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587543043 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587543044 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587543045 JK Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587543046 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cc(Cl)cc12 ZINC000587543047 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cc(Cl)cc12 ZINC000587543049 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543051 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cc(Cl)cc12 ZINC000587543052 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543053 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543054 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cc(Cl)cc12 ZINC000587543055 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543056 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587543086 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587543087 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587543088 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587543090 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccco1 ZINC000587543121 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543122 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccco1 ZINC000587543123 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543124 JK Annotated Reactive C[C@@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543125 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccco1 ZINC000587543126 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543127 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccccc12)[C@@H](Cl)c1ccccc1 ZINC000587543128 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccco1 ZINC000587543129 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccccc12)[C@@H](Cl)c1ccccc1 ZINC000587543131 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccccc12)[C@H](Cl)c1ccccc1 ZINC000587543133 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccccc12)[C@H](Cl)c1ccccc1 ZINC000587543134 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 ZINC000587543171 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Br)cc1)CC2 ZINC000587543174 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 ZINC000587543175 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 ZINC000587543176 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Br)cc1)CC2 ZINC000587543177 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)-c1ccccc1C2 ZINC000587543178 JK Annotated Reactive O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543179 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccc(Br)cc12 ZINC000587543180 JK Annotated Anodyne O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543181 JK Annotated Reactive O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543182 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccc(Br)cc12 ZINC000587543183 JK Annotated Anodyne O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543184 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccc(Br)cc12 ZINC000587543186 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccc(Br)cc12 ZINC000587543189 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587543214 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587543216 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587543219 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587543221 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000587543250 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000587543251 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000587543252 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000587543255 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587543272 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587543279 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587543280 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587543281 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(C(F)(F)F)c1O ZINC000587543283 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(C(F)(F)F)c1O ZINC000587543285 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(C(F)(F)F)c1O ZINC000587543287 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(C(F)(F)F)c1O ZINC000587543289 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CNc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000587543318 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CNc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000587543323 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CNc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000587543326 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CNc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000587543329 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000587543330 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000587543331 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000587543332 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000587543334 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000587543337 JK Annotated Clean Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 ZINC000587543340 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000587543345 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 ZINC000587543346 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000587543348 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 ZINC000587543349 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000587543351 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccn1 ZINC000587543352 JK Annotated Reactive C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543354 JK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543358 JK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543360 JK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543363 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000587543364 JK Annotated Anodyne C[C@]1(CC[C@](F)(Cl)C(F)(F)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543366 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000587543367 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000587543369 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000587543371 JK Annotated Anodyne C[C@]1(CC[C@@](F)(Cl)C(F)(F)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543375 JK Annotated Anodyne C[C@]1(CC[C@@](F)(Cl)C(F)(F)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543377 JK Annotated Anodyne C[C@]1(CC[C@](F)(Cl)C(F)(F)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543380 JK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543397 JK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543407 JK Annotated Anodyne C[C@@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543414 JK Annotated Anodyne C[C@@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543417 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000587543484 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000587543488 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000587543494 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000587543496 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587543509 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543511 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543514 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543516 JK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543517 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587543521 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587543525 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587543528 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587543532 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587543534 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587543536 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587543539 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 ZINC000587543585 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 ZINC000587543588 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 ZINC000587543593 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(C(F)(F)F)c1 ZINC000587543596 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000587543601 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000587543604 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000587543606 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000587543608 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587543637 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587543640 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587543643 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587543646 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587543648 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587543651 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587543653 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587543655 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543657 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543660 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543662 JK Annotated Anodyne CC(C)(C)c1nc2c(Br)ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 ZINC000587543663 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543664 JK Annotated Anodyne CC(C)(C)c1nc2c(Br)ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 ZINC000587543665 JK Annotated Anodyne CC(C)(C)c1nc2c(Br)ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 ZINC000587543666 JK Annotated Anodyne CC(C)(C)c1nc2c(Br)ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 ZINC000587543667 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC000587543685 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC000587543686 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC000587543687 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC000587543688 JK Annotated Bother Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543699 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587543702 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543703 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543704 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543705 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587543706 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587543707 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587543708 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587543709 JK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587543710 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587543711 JK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587543712 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000587543730 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000587543732 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000587543733 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000587543734 JK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543739 JK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543741 JK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543742 JK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543743 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543777 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543778 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543779 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543781 JK Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1-c1ccc(Br)cc1 ZINC000587543798 JK Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1-c1ccc(Br)cc1 ZINC000587543799 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 ZINC000587543810 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 ZINC000587543811 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 ZINC000587543812 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC1=CCCCC1 ZINC000587543813 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587543842 JK Annotated Reactive CC(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587543843 JK Annotated Reactive CC(C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587543844 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)c1 ZINC000587543845 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587543898 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587543899 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000587543900 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000587543901 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000587543902 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000587543903 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000587543904 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000587543905 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000587543906 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000587543907 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000587543908 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000587543909 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000587543910 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000587543911 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000587543928 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000587543929 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000587543930 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000587543931 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543932 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543933 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543934 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543935 JK Annotated Anodyne C[C@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543960 JK Annotated Anodyne C[C@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543962 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543963 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543964 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1Cl ZINC000587543981 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1Cl ZINC000587543982 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1Cl ZINC000587543983 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1Cl ZINC000587543984 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587543993 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587543995 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587543996 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587543998 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(Cl)cc(Cl)c1 ZINC000587544028 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(Cl)cc(Cl)c1 ZINC000587544030 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(Cl)cc(Cl)c1 ZINC000587544031 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(Cl)cc(Cl)c1 ZINC000587544032 JK Annotated Anodyne O=C(Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1ccccc1Cl ZINC000587544033 JK Annotated Anodyne O=C(Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)c1ccccc1Cl ZINC000587544034 JK Annotated Anodyne O=C(Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)c1ccccc1Cl ZINC000587544035 JK Annotated Anodyne O=C(Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1ccccc1Cl ZINC000587544036 JK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587544041 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544049 JK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587544050 JK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587544051 JK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587544052 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544053 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544055 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544057 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)cc2ccccn12 ZINC000587544061 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587544065 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587544066 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587544067 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587544068 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)cc2ccccn12 ZINC000587544069 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)cc2ccccn12 ZINC000587544070 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)cc2ccccn12 ZINC000587544071 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587544084 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587544085 JK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587544086 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587544087 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587544088 JK Annotated Reactive COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587544089 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587544101 JK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587544108 JK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587544109 JK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587544110 JK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587544111 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544112 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544114 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544116 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544119 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587544143 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587544145 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587544147 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCC1OCCCO1)c1cccc(Cl)c1 ZINC000587544148 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCC1OCCCO1)c1cccc(Cl)c1 ZINC000587544150 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCC1OCCCO1)c1cccc(Cl)c1 ZINC000587544153 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCC1OCCCO1)c1cccc(Cl)c1 ZINC000587544159 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(Cl)c1 ZINC000587544165 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(Cl)c1 ZINC000587544167 JK Annotated Anodyne COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C ZINC000587544168 JK Annotated Reactive Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(Cl)c1 ZINC000587544169 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(Cl)c1 ZINC000587544170 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1Cl ZINC000587544171 JK Annotated Anodyne COC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C ZINC000587544172 JK Annotated Reactive Cc1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1Cl ZINC000587544173 JK Annotated Anodyne COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C ZINC000587544174 JK Annotated Reactive Cc1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1Cl ZINC000587544175 JK Annotated Anodyne COC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C2CC2)c1C ZINC000587544176 JK Annotated Reactive Cc1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1Cl ZINC000587544177 JK Annotated Anodyne CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544193 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544197 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544199 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544201 JK Annotated Reactive Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1-c1ccc(Br)cc1 ZINC000587544232 JK Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1-c1ccc(Br)cc1 ZINC000587544234 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Br)cc1 ZINC000587544253 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Br)cc1 ZINC000587544255 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Br)cc1 ZINC000587544256 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Br)cc1 ZINC000587544257 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544259 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544262 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544264 JK Annotated Anodyne CC1(C)Cc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544265 JK Annotated Anodyne Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587544329 JK Annotated Reactive Cc1onc(-c2ccc(Br)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544333 JK Annotated Anodyne Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587544334 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587544335 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587544336 JK Annotated Reactive Cc1onc(-c2ccc(Br)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544338 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544339 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544340 JK Annotated Anodyne Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544345 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544349 JK Annotated Reactive CN(C)/C=C\[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544350 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544351 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544352 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544353 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cccnc1 ZINC000587544354 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cccnc1 ZINC000587544355 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cccnc1 ZINC000587544356 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cccnc1 ZINC000587544357 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 ZINC000587544362 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 ZINC000587544363 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 ZINC000587544364 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 ZINC000587544365 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(Br)cc2)no1 ZINC000587544378 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(Br)cc2)no1 ZINC000587544379 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(Br)cc2)no1 ZINC000587544380 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(Br)cc2)no1 ZINC000587544381 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544390 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544391 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544392 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544393 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(Br)cc12 ZINC000587544398 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(Br)cc12 ZINC000587544399 JK Annotated Anodyne CN(C)/C=C(/c1ncc(C(F)(F)F)cc1Cl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544412 JK Annotated Anodyne CN(C)/C=C(\c1ncc(C(F)(F)F)cc1Cl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544413 JK Annotated Anodyne CN(C)/C=C(/c1ncc(C(F)(F)F)cc1Cl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544414 JK Annotated Anodyne CN(C)/C=C(\c1ncc(C(F)(F)F)cc1Cl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544415 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587544421 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(F)cccc1C(F)(F)F ZINC000587544423 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587544424 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587544425 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587544426 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(F)cccc1C(F)(F)F ZINC000587544429 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(F)cccc1C(F)(F)F ZINC000587544432 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(F)cccc1C(F)(F)F ZINC000587544434 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccc(Cl)c1 ZINC000587544439 JK Annotated Anodyne Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544441 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccc(Cl)c1 ZINC000587544442 JK Annotated Anodyne Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544443 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccc(Cl)c1 ZINC000587544444 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccc(Cl)c1 ZINC000587544447 JK Annotated Anodyne C[C@@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544471 JK Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544475 JK Annotated Mild C[C@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544476 JK Annotated Mild C[C@]1(c2ccc(C#N)cc2OCCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544477 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587544478 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587544479 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587544480 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587544482 JK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544507 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544510 JK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587544512 JK Annotated Reactive O=C(O)CC[C@]1(CCC(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544513 JK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544515 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544517 JK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587544519 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587544520 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 ZINC000587544521 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(CC)c1C ZINC000587544522 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(CC)c1C ZINC000587544523 JK Annotated Reactive COCOc1ccccc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544524 JK Annotated Anodyne CCOC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(CC)c1C ZINC000587544525 JK Annotated Reactive COCOc1ccccc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544526 JK Annotated Anodyne CCOC(=O)c1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(CC)c1C ZINC000587544527 JK Annotated Reactive COCOc1ccccc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544528 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587544534 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(C(F)(F)F)c1 ZINC000587544538 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587544539 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587544540 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587544541 JK Annotated Reactive C[C@H]1CN(c2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587544566 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587544567 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587544568 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587544569 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(C(F)(F)F)c1 ZINC000587544588 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(C(F)(F)F)c1 ZINC000587544590 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(C(F)(F)F)c1 ZINC000587544593 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000587544611 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000587544614 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000587544617 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000587544622 JK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1-c1ccccc1Cl ZINC000587544624 JK Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1-c1ccccc1Cl ZINC000587544627 JK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1-c1ccccc1Cl ZINC000587544629 JK Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1-c1ccccc1Cl ZINC000587544630 JK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000587544650 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(C(F)(F)F)cc1 ZINC000587544654 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000587544655 JK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000587544656 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000587544657 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(C(F)(F)F)cc1 ZINC000587544659 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(C(F)(F)F)cc1 ZINC000587544660 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(C(F)(F)F)cc1 ZINC000587544661 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(CCCl)CCCl)cc1 ZINC000587544700 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(CCCl)CCCl)cc1 ZINC000587544703 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(CCCl)CCCl)cc1 ZINC000587544704 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(CCCl)CCCl)cc1 ZINC000587544705 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587544706 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587544710 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587544712 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587544714 JK Annotated Reactive CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544716 JK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544721 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544722 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544724 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544768 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544769 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544770 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544771 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544796 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544797 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544798 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544799 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(Br)cc12 ZINC000587544804 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(Br)cc12 ZINC000587544806 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 ZINC000587544821 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 ZINC000587544823 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 ZINC000587544825 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1 ZINC000587544827 JK Annotated Reactive C[C@]1(c2cc3cccc(Br)c3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544828 JK Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544829 JK Annotated Reactive C[C@@]1(c2cc3cccc(Br)c3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544830 JK Annotated Anodyne C[C@]1(c2cc3cccc(Br)c3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544831 JK Annotated Anodyne C[C@@]1(c2cc3cccc(Br)c3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544832 JK Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544840 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544842 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544844 JK Annotated Reactive CN(C)c1[nH]c2cccc(Br)c2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544857 JK Annotated Anodyne CN(C)c1[nH]c2cccc(Br)c2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544859 JK Annotated Anodyne CN(C)c1[nH]c2cccc(Br)c2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544861 JK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544863 JK Annotated Anodyne CN(C)c1[nH]c2cccc(Br)c2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544864 JK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544868 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544870 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544871 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2cc(Br)ccc12 ZINC000587544872 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2cc(Br)ccc12 ZINC000587544874 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2cc(Br)ccc12 ZINC000587544875 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2cc(Br)ccc12 ZINC000587544878 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544889 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544891 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544894 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544896 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Br)cc(Cl)cc12 ZINC000587544909 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Br)cc(Cl)cc12 ZINC000587544910 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Br)cc(Cl)cc12 ZINC000587544911 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Br)cc(Cl)cc12 ZINC000587544914 JK Annotated Anodyne COc1cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n(C)c2cc1Br ZINC000587544937 JK Annotated Clean COc1cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n(C)c2cc1Br ZINC000587544938 JK Annotated Clean COc1cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n(C)c2cc1Br ZINC000587544939 JK Annotated Clean COc1cc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n(C)c2cc1Br ZINC000587544940 JK Annotated Clean Cc1c(Br)cncc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544941 JK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544942 JK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544943 JK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544944 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587545024 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587545025 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587545026 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000587545027 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1Cl)c1ccccc1 ZINC000587545052 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1Cl)c1ccccc1 ZINC000587545053 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1Cl)c1ccccc1 ZINC000587545054 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1Cl)c1ccccc1 ZINC000587545055 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545068 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545069 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545070 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545071 JK Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccc(Cl)c2)n1 ZINC000587545105 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000587545109 JK Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccc(Cl)c2)n1 ZINC000587545110 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccc(Cl)c2)n1 ZINC000587545111 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccc(Cl)c2)n1 ZINC000587545112 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000587545114 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000587545146 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000587545147 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000587545148 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000587545150 JK Annotated Anodyne C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587545167 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587545170 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587545172 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587545174 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000587545182 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000587545184 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000587545186 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000587545188 JK Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587545192 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000587545196 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000587545197 JK Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587545198 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000587545199 JK Annotated Anodyne NC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587545200 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000587545201 JK Annotated Anodyne NC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587545202 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587545215 JK Annotated Anodyne Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587545224 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587545225 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587545226 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587545227 JK Annotated Anodyne Cc1ccccc1-n1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587545228 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587545229 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587545230 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc(Cl)cc1Cl ZINC000587545243 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)cc1C(F)(F)F ZINC000587545244 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc(Cl)cc1Cl ZINC000587545245 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc(Cl)cc1Cl ZINC000587545246 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc(Cl)cc1Cl ZINC000587545247 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587545248 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)cc1C(F)(F)F ZINC000587545249 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587545250 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)cc1C(F)(F)F ZINC000587545251 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587545252 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)cc1C(F)(F)F ZINC000587545253 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587545254 JK Annotated Anodyne COc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587545269 JK Annotated Bother COc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587545271 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1C(F)(F)F ZINC000587545273 JK Annotated Anodyne COc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587545274 JK Annotated Bother COc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587545276 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1C(F)(F)F ZINC000587545277 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Oc2ccccc2)cc1 ZINC000587545287 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Oc2ccccc2)cc1 ZINC000587545290 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Oc2ccccc2)cc1 ZINC000587545292 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Oc2ccccc2)cc1 ZINC000587545294 JK Annotated Reactive CN(C)/C=C\[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545305 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545306 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545307 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545308 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1ccc(Cl)cc12 ZINC000587545313 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1ccc(Cl)cc12 ZINC000587545316 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1ccc(Cl)cc12 ZINC000587545318 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1ccc(Cl)cc12 ZINC000587545320 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545326 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545329 JK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545331 JK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545332 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545333 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545334 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545335 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545336 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587545352 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545353 JK Annotated Reactive CCCCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587545354 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587545355 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587545356 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545358 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545359 JK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545361 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545367 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545369 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545371 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(Cl)ccc1Cl ZINC000587545373 JK Annotated Anodyne CC(C)CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545374 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(Cl)ccc1Cl ZINC000587545375 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(Cl)ccc1Cl ZINC000587545377 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(Cl)ccc1Cl ZINC000587545378 JK Annotated Anodyne N#CC[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545389 JK Annotated Mild N#CC[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545396 JK Annotated Mild N#CC[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545398 JK Annotated Mild N#CC[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545401 JK Annotated Mild COc1ccc(Br)c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587545410 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587545411 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587545412 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587545413 JK Annotated Anodyne C[C@]1([C@H](C#N)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545442 JK Annotated Mild C[C@]1([C@H](C#N)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545443 JK Annotated Mild C[C@]1([C@@H](C#N)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545444 JK Annotated Mild C[C@]1([C@@H](C#N)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545445 JK Annotated Mild Cn1c2c(c3cc(Br)ccc31)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545478 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545479 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545480 JK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545481 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CC1)c1ccc(Br)cc1 ZINC000587545486 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CC1)c1ccc(Br)cc1 ZINC000587545487 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CC1)c1ccc(Br)cc1 ZINC000587545488 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CC1)c1ccc(Br)cc1 ZINC000587545489 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCc1ccc(Br)cc12 ZINC000587545490 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCc1ccc(Br)cc12 ZINC000587545491 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCc1ccc(Br)cc12 ZINC000587545492 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCc1ccc(Br)cc12 ZINC000587545493 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545498 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545499 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)c1ccccc1Cl ZINC000587545512 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)c1ccccc1Cl ZINC000587545513 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)c1ccccc1Cl ZINC000587545514 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)c1ccccc1Cl ZINC000587545515 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545520 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545521 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545522 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545523 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 ZINC000587545539 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 ZINC000587545540 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 ZINC000587545541 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 ZINC000587545543 JK Annotated Reactive CCOc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545559 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545560 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545561 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545562 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(Cl)ccc1O)c1ccccc1Cl ZINC000587545579 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Cl)ccc1O)c1ccccc1Cl ZINC000587545580 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(Cl)ccc1O)c1ccccc1Cl ZINC000587545581 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Cl)ccc1O)c1ccccc1Cl ZINC000587545583 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587545585 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587545587 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587545589 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587545590 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545607 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545619 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545621 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545622 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccc(Cl)c2)c1 ZINC000587545623 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccc(Cl)c2)c1 ZINC000587545624 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccc(Cl)c2)c1 ZINC000587545625 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccc(Cl)c2)c1 ZINC000587545626 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000587545627 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000587545628 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000587545629 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000587545630 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545637 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545644 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545645 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545646 JK Annotated Anodyne CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587545653 JK Annotated Reactive CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587545659 JK Annotated Reactive CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587545660 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1C(F)(F)F ZINC000587545661 JK Annotated Anodyne CC1(C)CC(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587545662 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1C(F)(F)F ZINC000587545663 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1C(F)(F)F ZINC000587545673 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1C(F)(F)F ZINC000587545674 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1C(F)(F)F ZINC000587545675 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1C(F)(F)F ZINC000587545676 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1F ZINC000587545677 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1F ZINC000587545678 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1F ZINC000587545679 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1F ZINC000587545680 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1F ZINC000587545729 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1F ZINC000587545730 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1F ZINC000587545731 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1F ZINC000587545732 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(Cl)c1Cl ZINC000587545746 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(Cl)c1Cl ZINC000587545747 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(Cl)c1Cl ZINC000587545748 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(Cl)c1Cl ZINC000587545749 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCn2ccnc2)c(Cl)c1 ZINC000587545758 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCn2ccnc2)c(Cl)c1 ZINC000587545759 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCn2ccnc2)c(Cl)c1 ZINC000587545760 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCn2ccnc2)c(Cl)c1 ZINC000587545761 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 ZINC000587545763 JK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 ZINC000587545765 JK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 ZINC000587545768 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CCl)ccc21 ZINC000587545769 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000587545781 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000587545784 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000587545785 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000587545786 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000587545795 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000587545798 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000587545800 JK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587545801 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000587545802 JK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587545803 JK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587545804 JK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587545806 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2c1ccccc1C(F)(F)F ZINC000587545819 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2c1ccccc1C(F)(F)F ZINC000587545820 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2c1ccccc1C(F)(F)F ZINC000587545822 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2c1ccccc1C(F)(F)F ZINC000587545824 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545863 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545864 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545865 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545866 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000587545867 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000587545868 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000587545870 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000587545872 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545874 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545876 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545877 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545878 JK Annotated Anodyne O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545910 JK Annotated Reactive O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545911 JK Annotated Reactive O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545912 JK Annotated Reactive O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545913 JK Annotated Reactive Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl ZINC000587545922 JK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl ZINC000587545923 JK Annotated Reactive Cc1cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl ZINC000587545924 JK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C(=O)CCl ZINC000587545925 JK Annotated Reactive O=C(O)CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545951 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545953 JK Annotated Anodyne O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545957 JK Annotated Reactive CCCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545959 JK Annotated Anodyne O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545960 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545961 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545962 JK Annotated Reactive CCCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545964 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545965 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545967 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2cc(Br)ccc12 ZINC000587546003 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2cc(Br)ccc12 ZINC000587546004 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2cc(Br)ccc12 ZINC000587546005 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2cc(Br)ccc12 ZINC000587546006 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccccn1 ZINC000587546007 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccccn1 ZINC000587546008 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccccn1 ZINC000587546009 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccccn1 ZINC000587546010 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587546027 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587546028 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587546029 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587546030 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546043 JK Annotated Reactive C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546044 JK Annotated Reactive C[C@@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546045 JK Annotated Reactive C[C@]1(c2ccc(NC(=O)CCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546046 JK Annotated Reactive COc1cc(Br)c2oc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587546056 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587546058 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587546060 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587546062 JK Annotated Anodyne C[C@@]1(CCc2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546111 JK Annotated Anodyne C[C@]1(CCc2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546112 JK Annotated Anodyne C[C@@]1(CCc2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546113 JK Annotated Anodyne C[C@]1(CCc2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546114 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587546131 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587546133 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587546136 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587546138 JK Annotated Anodyne CC(C)(C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587546154 JK Annotated Anodyne CC(C)(C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587546155 JK Annotated Anodyne CC(C)(C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587546156 JK Annotated Anodyne CC(C)(C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587546157 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1 ZINC000587546166 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1 ZINC000587546167 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1 ZINC000587546168 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1 ZINC000587546169 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546174 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546175 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546176 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546177 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587546186 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587546187 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587546188 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587546189 JK Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546202 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546203 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546204 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546205 JK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546210 JK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546211 JK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546212 JK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546213 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000587546221 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000587546222 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000587546224 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000587546225 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587546258 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587546261 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587546264 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587546266 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000587546268 JK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587546269 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587546270 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587546271 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 ZINC000587546273 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000587546274 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000587546275 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000587546279 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546282 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546287 JK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546288 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546289 JK Annotated Anodyne C[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546291 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000587546293 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000587546295 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000587546296 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000587546298 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546299 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546302 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546304 JK Annotated Anodyne COc1cccc(COC2=COC(CCl)=C[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 ZINC000587546316 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000587546317 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000587546320 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000587546321 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000587546323 JK Annotated Anodyne COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 ZINC000587546326 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 ZINC000587546328 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 ZINC000587546331 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587546340 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587546345 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587546347 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587546349 JK Annotated Reactive C[C@@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546357 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546365 JK Annotated Reactive CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546367 JK Annotated Reactive C[C@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546368 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546370 JK Annotated Reactive C[C@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546372 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546373 JK Annotated Reactive C[C@@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546375 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000587546386 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000587546388 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000587546391 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000587546393 JK Annotated Bother CCCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587546411 JK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587546412 JK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587546413 JK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587546418 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546433 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587546435 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546436 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587546437 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546438 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587546439 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546440 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587546441 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546442 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546444 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546447 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546449 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546451 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546452 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546454 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1 ZINC000587546456 JK Annotated Reactive Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546471 JK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546472 JK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546473 JK Annotated Bother Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546474 JK Annotated Bother Cc1cccc(Cl)c1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587546493 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587546494 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587546495 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587546496 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546497 JK Annotated Mild C[C@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546503 JK Annotated Mild C[C@@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546504 JK Annotated Mild C[C@@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546506 JK Annotated Mild C[C@@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546508 JK Annotated Mild C[C@@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546509 JK Annotated Mild C[C@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546510 JK Annotated Mild C[C@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546511 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1/C(Cl)=N/Nc1ccc(Br)cc1 ZINC000587546516 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1/C(Cl)=N/Nc1ccc(Br)cc1 ZINC000587546517 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1/C(Cl)=N/Nc1ccc(Br)cc1 ZINC000587546518 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1/C(Cl)=N/Nc1ccc(Br)cc1 ZINC000587546519 JK Annotated Mild COc1ccc(Br)c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546540 JK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546542 JK Annotated Anodyne COc1ccc(Br)c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546544 JK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546546 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc(Br)ccc12 ZINC000587546555 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc(Br)ccc12 ZINC000587546557 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc(Br)ccc12 ZINC000587546560 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc(Br)ccc12 ZINC000587546562 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Br ZINC000587546576 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Br ZINC000587546577 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Br ZINC000587546579 JK Annotated Anodyne CC(C)(C)C(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Br ZINC000587546580 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546590 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546592 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546593 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546595 JK Annotated Reactive CCCCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546603 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546604 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546605 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546606 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546607 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546608 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546609 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546612 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587546619 JK Annotated Reactive Cn1cc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587546620 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587546621 JK Annotated Reactive Cn1cc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587546622 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587546623 JK Annotated Reactive Cn1cc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587546624 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587546625 JK Annotated Reactive Cn1cc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587546626 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587546647 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587546650 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587546654 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587546658 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546663 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546665 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546667 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546669 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546671 JK Annotated Anodyne COc1cc(Br)cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587546672 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546673 JK Annotated Anodyne COc1cc(Br)cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587546674 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546675 JK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587546676 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546677 JK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587546678 JK Annotated Anodyne Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546679 JK Annotated Bother CCCCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546685 JK Annotated Reactive Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546686 JK Annotated Bother CCCCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546687 JK Annotated Reactive Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546688 JK Annotated Bother CCCCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546689 JK Annotated Reactive Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546690 JK Annotated Bother CCCCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546691 JK Annotated Reactive COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546703 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546705 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546707 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546708 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl ZINC000587546717 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2n1Cc1ccccc1Cl ZINC000587546718 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2n1Cc1ccccc1Cl ZINC000587546720 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl ZINC000587546722 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000587546730 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000587546734 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000587546736 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000587546737 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587546739 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587546741 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587546755 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587546757 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587546760 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587546762 JK Annotated Reactive COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546768 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546770 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546772 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546774 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC(C)C ZINC000587546780 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC(C)C ZINC000587546784 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCC(C)C ZINC000587546800 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCC(C)C ZINC000587546801 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C(CCl)(CCl)CCC2(CCl)CCl ZINC000587546810 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C(CCl)(CCl)CCC2(CCl)CCl ZINC000587546811 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl ZINC000587546820 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl ZINC000587546821 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl ZINC000587546822 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1Cl)C(Cl)Cl ZINC000587546823 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1 ZINC000587546832 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1 ZINC000587546834 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1 ZINC000587546836 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1 ZINC000587546838 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1[C@H](C)c1ccccc1 ZINC000587546891 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1[C@@H](C)c1ccccc1 ZINC000587546892 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1[C@@H](C)c1ccccc1 ZINC000587546894 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1[C@H](C)c1ccccc1 ZINC000587546896 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000587546899 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000587546900 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000587546901 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000587546902 JK Annotated Anodyne CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587546907 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587546910 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587546912 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587546914 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000587546915 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000587546917 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000587546919 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000587546921 JK Annotated Anodyne O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546925 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000587546929 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000587546931 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000587546932 JK Annotated Anodyne O=C(Cl)c1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546933 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000587546934 JK Annotated Anodyne O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546936 JK Annotated Reactive O=C(Cl)c1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546939 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000587546963 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000587546964 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000587546965 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000587546966 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546971 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546972 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546973 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546974 JK Annotated Anodyne N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546979 JK Annotated Reactive N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546991 JK Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546992 JK Annotated Anodyne N#CSC[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546993 JK Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546994 JK Annotated Anodyne N#CSC[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546995 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546996 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546998 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(Cl)cccc1Cl ZINC000587547005 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(Cl)cccc1Cl ZINC000587547007 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(Cl)cccc1Cl ZINC000587547009 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(Cl)cccc1Cl ZINC000587547010 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587547011 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587547012 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587547014 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587547015 JK Annotated Anodyne N#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547017 JK Annotated Mild N#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547019 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000587547026 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547033 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000587547034 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000587547035 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000587547036 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547037 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547039 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547042 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547061 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547065 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547067 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547069 JK Annotated Anodyne O=C(O)c1cc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)ccc1Cl ZINC000587547086 JK Annotated Anodyne O=C(O)c1cc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)ccc1Cl ZINC000587547088 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000587547098 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000587547099 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CC1 ZINC000587547102 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CC1 ZINC000587547104 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CC1 ZINC000587547106 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CC1 ZINC000587547108 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl ZINC000587547110 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)cn1 ZINC000587547111 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl ZINC000587547112 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)cn1 ZINC000587547113 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl ZINC000587547114 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)cn1 ZINC000587547115 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl ZINC000587547116 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)cn1 ZINC000587547117 JK Annotated Anodyne C[C@@]1(c2ccc3ncc(Br)cc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547119 JK Annotated Anodyne C[C@@]1(c2ccc3ncc(Br)cc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547121 JK Annotated Anodyne C[C@]1(c2ccc3ncc(Br)cc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547123 JK Annotated Anodyne C[C@]1(c2ccc3ncc(Br)cc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547125 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587547157 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587547160 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587547162 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587547165 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000587547178 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000587547179 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000587547180 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000587547181 JK Annotated Anodyne O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587547189 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587547191 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587547194 JK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587547195 JK Annotated Reactive COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547228 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547229 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547230 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547231 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1Cl)c1cccc2ccccc12 ZINC000587547237 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1Cl)c1cccc2ccccc12 ZINC000587547241 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1Cl)c1cccc2ccccc12 ZINC000587547243 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1Cl)c1cccc2ccccc12 ZINC000587547244 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547253 JK Annotated Anodyne O=C(Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587547254 JK Annotated Reactive O=NCC1=COc2cc(Br)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547256 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547258 JK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547259 JK Annotated Anodyne O=C(Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587547263 JK Annotated Reactive O=C(Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587547265 JK Annotated Reactive Cc1ccc(C)c([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547266 JK Annotated Anodyne O=C(Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587547267 JK Annotated Reactive Cc1ccc(C)c([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547269 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547270 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547271 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547272 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547274 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547276 JK Annotated Anodyne CC(C)(N1CCOCC1)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547278 JK Annotated Anodyne C[C@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547319 JK Annotated Anodyne C[C@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547321 JK Annotated Anodyne C[C@@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547323 JK Annotated Anodyne C[C@@]1(c2cc3cc(Br)ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547325 JK Annotated Anodyne Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547370 JK Annotated Anodyne Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547371 JK Annotated Anodyne Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547372 JK Annotated Anodyne Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547373 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000587547382 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000587547383 JK Annotated Anodyne C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547392 JK Annotated Bother O=C(O)c1cc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)ccc1Cl ZINC000587547393 JK Annotated Anodyne C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547394 JK Annotated Bother O=C(O)c1cc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)ccc1Cl ZINC000587547395 JK Annotated Anodyne C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547396 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)cc1Cl ZINC000587547397 JK Annotated Anodyne C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547398 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)cc1Cl ZINC000587547399 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)cc1Cl ZINC000587547401 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)cc1Cl ZINC000587547402 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547404 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547407 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547409 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547411 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000587547413 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000587547415 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587547416 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000587547417 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000587547418 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587547420 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587547422 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587547424 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1 ZINC000587547426 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1 ZINC000587547429 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(C(F)(F)F)c1 ZINC000587547431 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(C(F)(F)F)c1 ZINC000587547433 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c(Cl)c1 ZINC000587547434 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c(Cl)c1 ZINC000587547436 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c(Cl)c1 ZINC000587547438 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c(Cl)c1 ZINC000587547440 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccccc2C(F)(F)F)c1O ZINC000587547443 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccccc2C(F)(F)F)c1O ZINC000587547445 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccccc2C(F)(F)F)c1O ZINC000587547448 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccccc2C(F)(F)F)c1O ZINC000587547450 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000587547471 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000587547472 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000587547473 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000587547474 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000587547486 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000587547488 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000587547489 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000587547490 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000587547491 JK Annotated Mild N#Cc1cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2cc1C(F)(F)F ZINC000587547492 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000587547493 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000587547494 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000587547495 JK Annotated Bother N#Cc1cc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2cc1C(F)(F)F ZINC000587547505 JK Annotated Mild N#Cc1cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2cc1C(F)(F)F ZINC000587547507 JK Annotated Mild N#Cc1cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2cc1C(F)(F)F ZINC000587547509 JK Annotated Mild COc1cc(CCC(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587547511 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587547513 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587547515 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587547517 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cccc(C(F)(F)F)c1 ZINC000587547593 JK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(Cl)cc3)nc12 ZINC000587547595 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cccc(C(F)(F)F)c1 ZINC000587547596 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000587547597 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cccc(C(F)(F)F)c1 ZINC000587547598 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cccc(C(F)(F)F)c1 ZINC000587547599 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000587547600 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000587547601 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000587547603 JK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(Cl)cc3)nc12 ZINC000587547604 JK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(Cl)cc3)nc12 ZINC000587547606 JK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(Cl)cc3)nc12 ZINC000587547607 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000587547640 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000587547642 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000587547644 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000587547646 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547648 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547650 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547652 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547653 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000587547656 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000587547658 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000587547660 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000587547662 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547664 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547666 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547667 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547668 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547669 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547671 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547675 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547678 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547680 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000587547691 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 ZINC000587547692 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 ZINC000587547694 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547696 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000587547698 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000587547701 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000587547704 JK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547713 JK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547714 JK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547715 JK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547716 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(Br)cccc12 ZINC000587547758 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(Br)cccc12 ZINC000587547759 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(Br)cccc12 ZINC000587547760 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(Br)cccc12 ZINC000587547761 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2)cc1 ZINC000587547766 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2)cc1 ZINC000587547767 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2)cc1 ZINC000587547768 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2)cc1 ZINC000587547769 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000587547784 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000587547785 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000587547786 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000587547787 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587547795 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587547796 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587547797 JK Annotated Bother CN(C)/C=C/[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547801 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587547802 JK Annotated Bother CN(C)/C=C/[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547803 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547806 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547808 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547822 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547823 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547825 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547827 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547885 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547887 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547889 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547890 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000587547899 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000587547904 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547905 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547906 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547907 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547908 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000587547909 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000587547911 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547922 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587547924 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547926 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587547928 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000587547930 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547935 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547941 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000587547942 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547944 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000587547945 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547947 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000587547948 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000587547978 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000587547984 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000587547985 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000587547987 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1Cl ZINC000587547988 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000587547989 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000587547991 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000587547993 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000587547995 JK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547997 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587547998 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1Cl ZINC000587547999 JK Annotated Mild C[C@@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548000 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587548001 JK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1Cl ZINC000587548002 JK Annotated Mild C[C@@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548003 JK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1Cl ZINC000587548004 JK Annotated Mild C[C@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548005 JK Annotated Anodyne Cn1cc(C(=O)c2cccc(Cl)c2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548019 JK Annotated Anodyne Cn1cc(C(=O)c2cccc(Cl)c2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548021 JK Annotated Anodyne Cn1cc(C(=O)c2cccc(Cl)c2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548023 JK Annotated Anodyne Cn1cc(C(=O)c2cccc(Cl)c2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548025 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1Br ZINC000587548048 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1Br ZINC000587548050 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1Br ZINC000587548052 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1Br ZINC000587548053 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548054 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548055 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548056 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548057 JK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548169 JK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548170 JK Annotated Anodyne C[C@@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548171 JK Annotated Anodyne C[C@@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548172 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C ZINC000587548193 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C ZINC000587548194 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C ZINC000587548195 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C ZINC000587548196 JK Annotated Anodyne N#CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548197 JK Annotated Mild N#CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548200 JK Annotated Mild N#CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548201 JK Annotated Mild N#CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548202 JK Annotated Mild C[C@@]1(c2ccc(Br)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548203 JK Annotated Anodyne C[C@]1(c2ccc(Br)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548207 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548208 JK Annotated Anodyne C[C@]1(c2ccc(Br)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548209 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587548269 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2Cl)c1 ZINC000587548271 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2Cl)c1 ZINC000587548272 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2Cl)c1 ZINC000587548273 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2Cl)c1 ZINC000587548274 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587548275 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587548276 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587548277 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587548278 JK Annotated Anodyne N#Cc1ccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548283 JK Annotated Mild N#Cc1ccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548284 JK Annotated Mild N#Cc1ccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548285 JK Annotated Mild N#Cc1ccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548286 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000587548303 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000587548305 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000587548306 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000587548307 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548320 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587548322 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548324 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548328 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548330 JK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587548355 JK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587548404 JK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587548406 JK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587548408 JK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548411 JK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548412 JK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548413 JK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548415 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cc(Br)cn2)cc1 ZINC000587548417 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cc(Br)cn2)cc1 ZINC000587548419 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000587548420 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cc(Br)cn2)cc1 ZINC000587548421 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cc(Br)cn2)cc1 ZINC000587548422 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)cc1 ZINC000587548423 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)cc1 ZINC000587548424 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)cc1 ZINC000587548425 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)cc1 ZINC000587548427 JK Annotated Reactive COCOc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548431 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548432 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548433 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548434 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548437 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548439 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548440 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548441 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548442 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548443 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548445 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548446 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000587548457 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000587548459 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000587548460 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548470 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548472 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548475 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548477 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548490 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548493 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548496 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548498 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000587548521 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000587548523 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000587548525 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000587548527 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000587548536 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000587548540 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587548541 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000587548543 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000587548544 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587548552 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587548554 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587548557 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2ccc(Br)cc12 ZINC000587548559 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548562 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2ccc(Br)cc12 ZINC000587548564 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548566 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(OCc2ccccc2)cc1Cl ZINC000587548568 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548569 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2ccc(Br)cc12 ZINC000587548571 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(OCc2ccccc2)cc1Cl ZINC000587548572 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548574 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2ccc(Br)cc12 ZINC000587548575 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(OCc2ccccc2)cc1Cl ZINC000587548576 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587548577 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(OCc2ccccc2)cc1Cl ZINC000587548579 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587548580 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1 ZINC000587548594 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1 ZINC000587548596 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1 ZINC000587548597 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1 ZINC000587548599 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@@H](Cl)CCCCCCCCC[C@@H]2Cl ZINC000587548614 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587548624 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587548629 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587548633 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(c1cccc(C(F)(F)F)c1)CC2 ZINC000587548650 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(c1cccc(C(F)(F)F)c1)CC2 ZINC000587548651 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548664 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548666 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548668 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548669 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1C(F)(F)F ZINC000587548670 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1C(F)(F)F ZINC000587548671 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1C(F)(F)F ZINC000587548672 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1C(F)(F)F ZINC000587548673 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548756 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548758 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548761 JK Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548766 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587548773 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587548780 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587548782 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587548784 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587548786 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587548789 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587548792 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587548795 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000587548798 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000587548802 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000587548806 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000587548809 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OC=C2OCc1ccccc1 ZINC000587548824 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(OCc2ccccc2)c1 ZINC000587548828 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(OCc2ccccc2)c1 ZINC000587548829 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(OCc2ccccc2)c1 ZINC000587548832 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(OCc2ccccc2)c1 ZINC000587548835 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OC=C2OCc1ccccc1 ZINC000587548841 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OC=C2OCc1ccccc1 ZINC000587548843 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OC=C2OCc1ccccc1 ZINC000587548845 JK Annotated Reactive COCOc1ccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548855 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548857 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548859 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548861 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548878 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000587548880 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000587548882 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000587548884 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548886 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000587548887 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548888 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548892 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548939 JK Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587548940 JK Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587548942 JK Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587548944 JK Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587548946 JK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548947 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548948 JK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548949 JK Annotated Anodyne C[C@]1(c2c[nH]c3c(Br)cccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548950 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548951 JK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548952 JK Annotated Anodyne C[C@@]1(c2c[nH]c3c(Br)cccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548953 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548954 JK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548955 JK Annotated Anodyne C[C@]1(c2c[nH]c3c(Br)cccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548956 JK Annotated Anodyne C[C@@]1(c2c[nH]c3c(Br)cccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548960 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000587548979 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000587548983 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000587548985 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000587548988 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587548989 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587548991 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587548994 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cncc1Br ZINC000587548996 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587548997 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cncc1Br ZINC000587548999 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cncc1Br ZINC000587549002 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cncc1Br ZINC000587549005 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587549009 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587549013 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549014 JK Annotated Reactive CC(C)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587549015 JK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587549016 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccc(Br)cc1 ZINC000587549019 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549020 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccc(Br)cc1 ZINC000587549022 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549023 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccc(Br)cc1 ZINC000587549025 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549027 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccc(Br)cc1 ZINC000587549028 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000587549030 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000587549031 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000587549033 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000587549035 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549071 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549072 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549074 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549076 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549077 JK Annotated Anodyne C[C@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549078 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549079 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549080 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1Br ZINC000587549106 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1Br ZINC000587549107 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1Br ZINC000587549108 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1Br ZINC000587549109 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549169 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549174 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549175 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549176 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587549217 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587549218 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587549219 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587549221 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549229 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549230 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549231 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549232 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(Cl)c(Cl)cc1Cl ZINC000587549252 JK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587549261 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587549262 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(Cl)c(Cl)cc1Cl ZINC000587549263 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587549264 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(Cl)c(Cl)cc1Cl ZINC000587549265 JK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587549266 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(Cl)c(Cl)cc1Cl ZINC000587549267 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549276 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549280 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549282 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549284 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000587549324 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000587549325 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000587549327 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000587549328 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2ccccn12 ZINC000587549339 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2ccccn12 ZINC000587549343 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2ccccn12 ZINC000587549344 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2ccccn12 ZINC000587549345 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549347 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549349 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549351 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549352 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549353 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549355 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549358 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549362 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(Br)ccc(O)c2n1 ZINC000587549366 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587549371 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(Br)ccc(O)c2n1 ZINC000587549372 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587549373 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(Br)ccc(O)c2n1 ZINC000587549374 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587549376 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(Br)ccc(O)c2n1 ZINC000587549377 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587549378 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587549379 JK Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587549382 JK Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587549384 JK Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc2O1 ZINC000587549386 JK Annotated Anodyne C[C@]1(c2cc(Br)cc3cc[nH]c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549398 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc3cc[nH]c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549401 JK Annotated Anodyne C[C@]1(c2cc(Br)cc3cc[nH]c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549403 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc3cc[nH]c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549405 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)cc(Cl)nc1Cl ZINC000587549417 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)cc(Cl)nc1Cl ZINC000587549426 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)cc(Cl)nc1Cl ZINC000587549428 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)cc(Cl)nc1Cl ZINC000587549431 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549441 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000587549442 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000587549443 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000587549444 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000587549445 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549452 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000587549453 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549454 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000587549455 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549456 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000587549457 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000587549460 JK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(Br)cc1 ZINC000587549510 JK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(Br)cc1 ZINC000587549511 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(Br)cc1 ZINC000587549513 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(Br)cc1 ZINC000587549515 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000587549517 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000587549518 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000587549520 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000587549521 JK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ccc(Br)cc21 ZINC000587549522 JK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ccc(Br)cc21 ZINC000587549523 JK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ccc(Br)cc21 ZINC000587549524 JK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ccc(Br)cc21 ZINC000587549525 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)ccc2nc1Cl ZINC000587549532 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)ccc2nc1Cl ZINC000587549536 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587549537 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)ccc2nc1Cl ZINC000587549538 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587549539 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)ccc2nc1Cl ZINC000587549540 JK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587549541 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000587549544 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587549547 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587549551 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587549553 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587549555 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)nc1Br ZINC000587549567 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)nc1Br ZINC000587549569 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)nc1Br ZINC000587549572 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)nc1Br ZINC000587549574 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549579 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549580 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549581 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549582 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587549603 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587549605 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587549607 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000587549609 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587549644 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587549645 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587549646 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587549647 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587549660 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587549661 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587549662 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587549663 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549668 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549669 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549670 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549671 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587549710 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587549711 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587549712 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587549713 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000587549714 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000587549715 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000587549716 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000587549717 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(c1ccc(Br)cc1)CC2 ZINC000587549743 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(c1ccc(Br)cc1)CC2 ZINC000587549745 JK Annotated Anodyne C=CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549747 JK Annotated Mild C=CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549750 JK Annotated Mild C=CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549751 JK Annotated Mild C=CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549752 JK Annotated Mild CN(C)/C=C/[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549757 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549758 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549759 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549760 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587549785 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587549787 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587549789 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587549791 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000587549823 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000587549825 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000587549827 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000587549829 JK Annotated Anodyne C[C@@]1(COc2ccc3cc(Br)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549833 JK Annotated Anodyne C[C@]1(COc2ccc3cc(Br)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549834 JK Annotated Anodyne C[C@@]1(COc2ccc3cc(Br)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549836 JK Annotated Anodyne C[C@]1(COc2ccc3cc(Br)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549837 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ncc(Br)cn2)cc1 ZINC000587549839 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ncc(Br)cn2)cc1 ZINC000587549841 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ncc(Br)cn2)cc1 ZINC000587549843 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ncc(Br)cn2)cc1 ZINC000587549844 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O ZINC000587549878 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O ZINC000587549880 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O ZINC000587549882 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(Br)cc1 ZINC000587549883 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O ZINC000587549884 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(Br)cc1 ZINC000587549885 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587549886 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(Br)cc1 ZINC000587549887 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587549888 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(Br)cc1 ZINC000587549889 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587549890 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587549892 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549896 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549897 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549898 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549899 JK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549916 JK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549917 JK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549918 JK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549919 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549928 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549929 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549930 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549931 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587549962 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587549963 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587549964 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587549965 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000587549970 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000587549971 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000587549972 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000587549973 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000587549998 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000587549999 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000587550000 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000587550001 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1Br ZINC000587550028 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1Br ZINC000587550029 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1Br ZINC000587550030 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1Br ZINC000587550031 JK Annotated Anodyne COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587550044 JK Annotated Anodyne COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587550045 JK Annotated Anodyne COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587550046 JK Annotated Anodyne COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Br ZINC000587550047 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550048 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550050 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550052 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550055 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550078 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550080 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550082 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)n2)cc1 ZINC000587550083 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550084 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)n2)cc1 ZINC000587550085 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)n2)cc1 ZINC000587550086 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)n2)cc1 ZINC000587550088 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1C(F)(F)F ZINC000587550098 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1C(F)(F)F ZINC000587550100 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1C(F)(F)F ZINC000587550101 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1C(F)(F)F ZINC000587550103 JK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587550104 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587550106 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587550108 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Br)cc21 ZINC000587550110 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(C(F)(F)F)c1F ZINC000587550112 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(C(F)(F)F)c1F ZINC000587550120 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(C(F)(F)F)c1F ZINC000587550121 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(C(F)(F)F)c1F ZINC000587550122 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587550123 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587550124 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587550126 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587550129 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000587550154 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000587550155 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000587550156 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000587550157 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550162 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550163 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550164 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550165 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1C(F)(F)F ZINC000587550166 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1C(F)(F)F ZINC000587550167 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1C(F)(F)F ZINC000587550168 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1C(F)(F)F ZINC000587550169 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccccc1C(F)(F)F ZINC000587550178 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccccc1C(F)(F)F ZINC000587550179 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccccc1C(F)(F)F ZINC000587550180 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccccc1C(F)(F)F ZINC000587550181 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587550190 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587550191 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587550192 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587550193 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000587550202 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000587550203 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000587550204 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000587550205 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1cccc(Cl)c1)CC2 ZINC000587550210 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1cccc(Cl)c1)CC2 ZINC000587550211 JK Annotated Anodyne CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587550216 JK Annotated Anodyne CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587550217 JK Annotated Anodyne CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587550218 JK Annotated Anodyne CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587550219 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000587550224 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000587550225 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000587550226 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000587550227 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000587550228 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000587550229 JK Annotated Bother CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550246 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550247 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550248 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550249 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2ncccn12 ZINC000587550258 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2ncccn12 ZINC000587550259 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2ncccn12 ZINC000587550260 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2ncccn12 ZINC000587550261 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000587550266 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000587550267 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000587550268 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000587550269 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587550286 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587550287 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587550288 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587550289 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000587550294 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000587550295 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000587550296 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000587550297 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550332 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550333 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550334 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550335 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587550336 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587550337 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587550338 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000587550339 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000587550344 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000587550345 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000587550346 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000587550347 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000587550356 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000587550357 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000587550358 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000587550359 JK Annotated Anodyne Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587550360 JK Annotated Anodyne Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587550361 JK Annotated Anodyne Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587550362 JK Annotated Anodyne Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587550363 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1C(F)(F)F ZINC000587550364 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1C(F)(F)F ZINC000587550365 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1C(F)(F)F ZINC000587550366 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1C(F)(F)F ZINC000587550367 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000587550389 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000587550390 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000587550391 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000587550392 JK Annotated Anodyne CC(C)c1nn(Cc2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550398 JK Annotated Anodyne CC(C)c1nn(Cc2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550399 JK Annotated Anodyne CC(C)c1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550400 JK Annotated Anodyne CC(C)c1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550401 JK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587550410 JK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587550411 JK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587550412 JK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587550413 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550418 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550419 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550420 JK Annotated Anodyne CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550421 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000587550430 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000587550431 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000587550432 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000587550433 JK Annotated Anodyne N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550434 JK Annotated Reactive N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550435 JK Annotated Reactive N#CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550436 JK Annotated Reactive N#CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550437 JK Annotated Reactive Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550496 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550499 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550500 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550501 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1ccc(Cl)cc1)CC2 ZINC000587550502 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1ccc(Cl)cc1)CC2 ZINC000587550503 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000587550520 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000587550521 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000587550522 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000587550523 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000587550528 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000587550529 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000587550530 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Cl)cc1 ZINC000587550531 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(Cl)cc1 ZINC000587550544 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(Cl)cc1 ZINC000587550545 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(Cl)cc1 ZINC000587550546 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(Cl)cc1 ZINC000587550547 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1cccnc1 ZINC000587550548 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1cccnc1 ZINC000587550549 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1cccnc1 ZINC000587550550 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1cccnc1 ZINC000587550551 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1Cl ZINC000587550568 JK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1Cl ZINC000587550569 JK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1Cl ZINC000587550570 JK Annotated Clean Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1Cl ZINC000587550571 JK Annotated Clean N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 ZINC000587550584 JK Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 ZINC000587550585 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(C(F)(F)F)c1F ZINC000587550588 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(C(F)(F)F)c1F ZINC000587550589 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(C(F)(F)F)c1F ZINC000587550590 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(C(F)(F)F)c1F ZINC000587550591 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000587550604 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000587550605 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000587550606 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000587550607 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000587550638 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000587550639 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000587550640 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000587550641 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000587550642 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000587550643 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000587550644 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000587550645 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550646 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550647 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550648 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550649 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550650 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550651 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550652 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550653 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000587550674 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000587550675 JK Annotated Anodyne N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 ZINC000587550690 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 ZINC000587550692 JK Annotated Mild Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550701 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccc1Cl ZINC000587550705 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccc1Cl ZINC000587550706 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccc1Cl ZINC000587550707 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccc1Cl ZINC000587550708 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(Cl)c1 ZINC000587550709 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(Cl)c1 ZINC000587550710 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(Cl)c1 ZINC000587550711 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(Cl)c1 ZINC000587550712 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550713 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550716 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550718 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000587550721 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000587550722 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000587550723 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000587550724 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000587550725 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000587550726 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000587550727 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000587550729 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587550761 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587550762 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587550763 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587550764 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(Cl)cc1CCc1cccnc12 ZINC000587550779 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccc(Cl)cc1CCc1cccnc12 ZINC000587550784 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(Cl)cc1CCc1cccnc12 ZINC000587550786 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000587550787 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000587550788 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccc(Cl)cc1CCc1cccnc12 ZINC000587550789 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000587550790 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000587550791 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000587550793 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000587550794 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000587550795 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000587550796 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587550862 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587550863 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587550864 JK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587550865 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587550892 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587550893 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587550894 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587550895 JK Annotated Anodyne C[C@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550897 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000587550899 JK Annotated Anodyne C[C@@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550900 JK Annotated Anodyne C[C@@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550901 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000587550902 JK Annotated Anodyne C[C@]1(c2c(Cl)c(Cl)cc3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550903 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000587550904 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000587550906 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587550911 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587550912 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587550913 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587550914 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000587550919 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000587550920 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000587550921 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000587550922 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000587550939 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000587550943 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000587550944 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000587550945 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000587550946 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000587550947 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000587550948 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000587550949 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587550959 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587550963 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587550964 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587550965 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587550966 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587550967 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587550969 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587550970 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000587550971 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000587550973 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000587550975 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000587550977 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1C(F)(F)F)CC2 ZINC000587550978 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)cc1 ZINC000587550983 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1C(F)(F)F)CC2 ZINC000587550984 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)cc1 ZINC000587550985 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)cc1 ZINC000587550987 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)cc1 ZINC000587550988 JK Annotated Anodyne C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551004 JK Annotated Anodyne C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551005 JK Annotated Anodyne C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551006 JK Annotated Anodyne C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551007 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551008 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551009 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551010 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551011 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000587551012 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000587551013 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000587551014 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000587551015 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000587551016 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000587551017 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000587551018 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000587551019 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551020 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551021 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551022 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000587551023 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551024 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551025 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551026 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551027 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 ZINC000587551036 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 ZINC000587551037 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 ZINC000587551038 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1 ZINC000587551039 JK Annotated Reactive CC[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551048 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551049 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551050 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551051 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587551080 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587551081 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587551082 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587551083 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587551088 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587551089 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587551090 JK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587551091 JK Annotated Anodyne N#Cc1ccccc1[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551124 JK Annotated Mild N#Cc1ccccc1[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551125 JK Annotated Mild N#Cc1ccccc1[C@@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551126 JK Annotated Mild N#Cc1ccccc1[C@@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551127 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000587551148 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000587551149 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000587551150 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000587551151 JK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551168 JK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551169 JK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551170 JK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551171 JK Annotated Anodyne C[C@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551172 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551173 JK Annotated Anodyne C[C@@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551174 JK Annotated Anodyne C[C@]1(c2ccc(Br)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551175 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000587551176 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000587551177 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000587551178 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cc(C(F)(F)F)cn2)cc1 ZINC000587551179 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551180 JK Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551181 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551182 JK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551183 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c(Br)c1 ZINC000587551196 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c(Br)c1 ZINC000587551197 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c(Br)c1 ZINC000587551198 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c(Br)c1 ZINC000587551199 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551208 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551209 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551210 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)OCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551211 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000587551216 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000587551217 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000587551218 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000587551219 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1 ZINC000587551224 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1 ZINC000587551225 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1 ZINC000587551226 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1 ZINC000587551227 JK Annotated Reactive CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551335 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551339 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551341 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551343 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000587551380 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000587551386 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000587551387 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000587551388 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551465 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551466 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551467 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551468 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587551477 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587551478 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587551479 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587551480 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551541 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551542 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551543 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551544 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587551545 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587551546 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587551547 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587551548 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000587551585 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000587551586 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000587551587 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000587551588 JK Annotated Anodyne N#Cc1cccc(C[C@@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587551597 JK Annotated Mild N#Cc1cccc(C[C@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587551598 JK Annotated Mild N#Cc1cccc(C[C@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587551599 JK Annotated Mild N#Cc1cccc(C[C@@]2(c3ccc(Cl)nc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587551600 JK Annotated Mild O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)ccc(Cl)c21 ZINC000587551613 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)ccc(Cl)c21 ZINC000587551614 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)ccc(Cl)c21 ZINC000587551615 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)ccc(Cl)c21 ZINC000587551616 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587551617 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587551618 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587551619 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587551620 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551645 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551646 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551647 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551648 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551653 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551654 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551655 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551656 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587551657 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587551658 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587551659 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587551660 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000587551661 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000587551662 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000587551663 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000587551664 JK Annotated Bother CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551673 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551674 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551675 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551676 JK Annotated Anodyne O=C1c2cccc(Cl)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587551705 JK Annotated Anodyne O=C1c2cccc(Cl)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587551706 JK Annotated Anodyne O=C1c2cccc(Cl)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587551707 JK Annotated Anodyne O=C1c2cccc(Cl)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587551708 JK Annotated Anodyne Cn1c(Oc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587551713 JK Annotated Anodyne Cn1c(Oc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587551714 JK Annotated Anodyne Cn1c(Oc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587551715 JK Annotated Anodyne Cn1c(Oc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587551716 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551717 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551718 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551719 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551720 JK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587551763 JK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587551764 JK Annotated Anodyne COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587551765 JK Annotated Anodyne COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587551766 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587551791 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587551792 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587551793 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587551794 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587551817 JK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587551818 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587551819 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587551820 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000587551825 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000587551826 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000587551827 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000587551828 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587551869 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587551870 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587551871 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587551872 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587551903 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587551904 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587551905 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587551906 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587551931 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587551932 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587551933 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587551934 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551939 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551940 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551941 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551942 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1Cl ZINC000587551943 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1Cl ZINC000587551944 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1Cl ZINC000587551945 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1Cl ZINC000587551946 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c(OC)c1OC ZINC000587551947 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c(OC)c1OC ZINC000587551948 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c(OC)c1OC ZINC000587551949 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c(OC)c1OC ZINC000587551950 JK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1Cl ZINC000587551975 JK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1Cl ZINC000587551976 JK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1Cl ZINC000587551977 JK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1Cl ZINC000587551978 JK Annotated Anodyne Cc1ccc(C)c(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)c1 ZINC000587552003 JK Annotated Anodyne Cc1ccc(C)c(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)c1 ZINC000587552004 JK Annotated Anodyne Cc1ccc(C)c(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)c1 ZINC000587552005 JK Annotated Anodyne Cc1ccc(C)c(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)c1 ZINC000587552006 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000587552049 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000587552050 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000587552051 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000587552052 JK Annotated Anodyne CC(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552053 JK Annotated Anodyne CC(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552054 JK Annotated Anodyne CC(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552055 JK Annotated Anodyne CC(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552056 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552057 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552058 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552059 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Cl ZINC000587552060 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552081 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552082 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552083 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552084 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)nc2)c2ccccc12 ZINC000587552093 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)nc2)c2ccccc12 ZINC000587552094 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)nc2)c2ccccc12 ZINC000587552095 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)nc2)c2ccccc12 ZINC000587552096 JK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)c(C)c1 ZINC000587552117 JK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)c(C)c1 ZINC000587552118 JK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)c(C)c1 ZINC000587552119 JK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)c(C)c1 ZINC000587552120 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc(Cl)ccc1-c1ccc(Cl)cc12 ZINC000587552143 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc(Cl)ccc1-c1ccc(Cl)cc12 ZINC000587552144 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000587552153 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000587552154 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000587552155 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000587552156 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587552157 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587552158 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587552159 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587552160 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nn2ccnc(Cl)c12 ZINC000587552197 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nn2ccnc(Cl)c12 ZINC000587552198 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nn2ccnc(Cl)c12 ZINC000587552199 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nn2ccnc(Cl)c12 ZINC000587552200 JK Annotated Anodyne Cc1ccc(-n2c(N(C)C)nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587552201 JK Annotated Anodyne Cc1ccc(-n2c(N(C)C)nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587552202 JK Annotated Anodyne Cc1ccc(-n2c(N(C)C)nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587552203 JK Annotated Anodyne Cc1ccc(-n2c(N(C)C)nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587552204 JK Annotated Anodyne CN(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1-c1ccccc1 ZINC000587552217 JK Annotated Anodyne CN(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1-c1ccccc1 ZINC000587552218 JK Annotated Anodyne CN(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1-c1ccccc1 ZINC000587552219 JK Annotated Anodyne CN(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1-c1ccccc1 ZINC000587552220 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552229 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552230 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552231 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552232 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587552313 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587552314 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587552315 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587552316 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000587552361 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000587552362 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000587552363 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000587552364 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552365 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552366 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552367 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552368 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552389 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552390 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552391 JK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552392 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587552414 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587552415 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587552416 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587552417 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(F)(F)F)nn2C)cc1 ZINC000587552435 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(F)(F)F)nn2C)cc1 ZINC000587552438 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(F)(F)F)nn2C)cc1 ZINC000587552440 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(F)(F)F)nn2C)cc1 ZINC000587552442 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552444 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552447 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552448 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552449 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587552507 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587552510 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587552512 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587552514 JK Annotated Anodyne CC(C)(C)C(=O)Nc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552536 JK Annotated Anodyne CC(C)(C)C(=O)Nc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552537 JK Annotated Anodyne CC(C)(C)C(=O)Nc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552539 JK Annotated Anodyne CC(C)(C)C(=O)Nc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552540 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCC1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000587552541 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCC1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000587552543 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCC1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000587552545 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCC1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000587552547 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552595 JK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552596 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552597 JK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552598 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587552634 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587552635 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587552636 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587552637 JK Annotated Anodyne C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552655 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552656 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552657 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552658 JK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587552717 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587552719 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587552720 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587552721 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(Cl)cc12 ZINC000587552748 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(Cl)cc12 ZINC000587552749 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(Cl)cc12 ZINC000587552750 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(Cl)cc12 ZINC000587552751 JK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552790 JK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552793 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552794 JK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552797 JK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552811 JK Annotated Anodyne COc1ccc2nc(C)c(CC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587552816 JK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552818 JK Annotated Anodyne COc1ccc2nc(C)c(CC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587552819 JK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552820 JK Annotated Anodyne COc1ccc2nc(C)c(CC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587552821 JK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552822 JK Annotated Anodyne COc1ccc2nc(C)c(CC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2c1 ZINC000587552824 JK Annotated Anodyne COc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2cc1OC ZINC000587552835 JK Annotated Anodyne COc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2cc1OC ZINC000587552837 JK Annotated Anodyne COc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2cc1OC ZINC000587552838 JK Annotated Anodyne COc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2cc1OC ZINC000587552840 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)F)c1 ZINC000587552857 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)F)c1 ZINC000587552861 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)F)c1 ZINC000587552863 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)F)c1 ZINC000587552865 JK Annotated Reactive COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587552875 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587552880 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587552883 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587552886 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Cl)c1Cl ZINC000587552895 JK Annotated Reactive Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587552907 JK Annotated Anodyne Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587552909 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Cl)c1Cl ZINC000587552910 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Cl)c1Cl ZINC000587552912 JK Annotated Reactive Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587552913 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Cl)c1Cl ZINC000587552914 JK Annotated Reactive Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587552915 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1 ZINC000587553001 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1 ZINC000587553003 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1 ZINC000587553004 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1 ZINC000587553005 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCCF ZINC000587553006 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCCF ZINC000587553007 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCCF ZINC000587553008 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCCF ZINC000587553009 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Cl)c1OC(F)F ZINC000587553025 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Cl)c1OC(F)F ZINC000587553027 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Cl)c1OC(F)F ZINC000587553029 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Cl)c1OC(F)F ZINC000587553030 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587553032 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587553033 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587553035 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587553037 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(Cl)ccc(F)c1Cl ZINC000587553061 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(Cl)ccc(F)c1Cl ZINC000587553063 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(Cl)ccc(F)c1Cl ZINC000587553065 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(Cl)ccc(F)c1Cl ZINC000587553067 JK Annotated Reactive O=C1c2c(Cl)cccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587553148 JK Annotated Anodyne O=C1c2c(Cl)cccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587553151 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Cl)ccc1-2 ZINC000587553167 JK Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Cl)ccc1-2 ZINC000587553176 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Cl)ccc1-2 ZINC000587553178 JK Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Cl)ccc1-2 ZINC000587553179 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553202 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553206 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553209 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553211 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1F ZINC000587553228 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1F ZINC000587553233 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1F ZINC000587553237 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1F ZINC000587553240 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Cl)n1 ZINC000587553250 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Cl)n1 ZINC000587553251 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Cl)n1 ZINC000587553253 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Cl)n1 ZINC000587553255 JK Annotated Anodyne O=C1c2cccc(Cl)c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587553261 JK Annotated Anodyne O=C1c2cccc(Cl)c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21 ZINC000587553263 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553264 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553265 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553267 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553268 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)cc1F ZINC000587553301 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)cc1F ZINC000587553307 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)cc1F ZINC000587553308 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)cc1F ZINC000587553309 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587553332 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587553337 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587553341 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587553342 JK Annotated Anodyne C[C@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553376 JK Annotated Anodyne C[C@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553381 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553382 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553383 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000587553398 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000587553403 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000587553405 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000587553408 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(OC(F)(F)F)c1 ZINC000587553507 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(OC(F)(F)F)c1 ZINC000587553508 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(OC(F)(F)F)c1 ZINC000587553510 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(OC(F)(F)F)c1 ZINC000587553512 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl ZINC000587553663 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl ZINC000587553670 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl ZINC000587553672 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl ZINC000587553673 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553731 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553732 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553734 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553735 JK Annotated Anodyne Cc1ccc(Cl)nc1C1(c2nc(Cl)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553748 JK Annotated Anodyne Cc1ccc(Cl)nc1C1(c2nc(Cl)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553751 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553787 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553790 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553791 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553792 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(Cl)c2=O)cc1 ZINC000587553804 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(Cl)c2=O)cc1 ZINC000587553809 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(Cl)c2=O)cc1 ZINC000587553811 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(Cl)c2=O)cc1 ZINC000587553813 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553827 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553830 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553831 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587553832 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587553840 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587553842 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587553844 JK Annotated Anodyne CC(C)(C)c1cc(Br)c(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587553848 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587553852 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587553853 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587553855 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587553857 JK Annotated Anodyne Cc1ccc(Cl)c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587553872 JK Annotated Anodyne Cc1ccc(Cl)c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587553876 JK Annotated Anodyne Cc1ccc(Cl)c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587553880 JK Annotated Anodyne Cc1ccc(Cl)c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587553882 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587553914 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587553916 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587553918 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587553919 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1Cl ZINC000587554008 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1Cl ZINC000587554012 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1Cl ZINC000587554013 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1Cl ZINC000587554014 JK Annotated Reactive C[C@]1(c2c(Br)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554044 JK Annotated Anodyne C[C@]1(c2c(Br)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554047 JK Annotated Anodyne C[C@@]1(c2c(Br)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554049 JK Annotated Anodyne C[C@@]1(c2c(Br)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554051 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1OC(F)F ZINC000587554086 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1OC(F)F ZINC000587554088 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1OC(F)F ZINC000587554089 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1OC(F)F ZINC000587554090 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OC(F)(F)F ZINC000587554095 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OC(F)(F)F ZINC000587554096 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OC(F)(F)F ZINC000587554097 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OC(F)(F)F ZINC000587554098 JK Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587554107 JK Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587554112 JK Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587554113 JK Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587554115 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554178 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554180 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554181 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554182 JK Annotated Reactive COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587554233 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587554235 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587554237 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587554239 JK Annotated Anodyne Cc1nn(-c2cccc(Cl)c2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554261 JK Annotated Anodyne Cc1nn(-c2cccc(Cl)c2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554267 JK Annotated Anodyne Cc1nn(-c2cccc(Cl)c2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554270 JK Annotated Anodyne Cc1nn(-c2cccc(Cl)c2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554272 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587554274 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587554276 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587554280 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587554284 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Cl)cc21 ZINC000587554306 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Cl)cc21 ZINC000587554307 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Cl)cc21 ZINC000587554308 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Cl)cc21 ZINC000587554309 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554344 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554347 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554351 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554355 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554379 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554393 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554395 JK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554397 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587554427 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587554435 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587554438 JK Annotated Anodyne O=C(O)CCC1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587554439 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1c(Cl)nc2ccccc21)c1ccccc1 ZINC000587554449 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1c(Cl)nc2ccccc21)c1ccccc1 ZINC000587554452 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1c(Cl)nc2ccccc21)c1ccccc1 ZINC000587554454 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1c(Cl)nc2ccccc21)c1ccccc1 ZINC000587554458 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)c(F)c1F ZINC000587554461 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)c(F)c1F ZINC000587554472 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554473 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)c(F)c1F ZINC000587554474 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554475 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)c(F)c1F ZINC000587554476 JK Annotated Anodyne C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554477 JK Annotated Reactive C[C@H](Br)[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554480 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F ZINC000587554582 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F ZINC000587554587 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F ZINC000587554591 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F ZINC000587554592 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554645 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554646 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554647 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3F)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554648 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000587554649 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000587554650 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000587554651 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000587554652 JK Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)c(F)c2)n1 ZINC000587554666 JK Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)c(F)c2)n1 ZINC000587554667 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)c(F)c2)n1 ZINC000587554668 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)c(F)c2)n1 ZINC000587554669 JK Annotated Mild CC(C)(C)OC(=O)c1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587554690 JK Annotated Anodyne CC(C)(C)OC(=O)c1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587554691 JK Annotated Anodyne CC(C)(C)OC(=O)c1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587554692 JK Annotated Anodyne CC(C)(C)OC(=O)c1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587554693 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)cc1F ZINC000587554736 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)cc1F ZINC000587554737 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)cc1F ZINC000587554738 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)cc1F ZINC000587554739 JK Annotated Reactive Nc1ccc(Cl)cc1[C@@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554749 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554758 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554761 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554763 JK Annotated Anodyne Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554773 JK Annotated Anodyne Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554775 JK Annotated Anodyne Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554777 JK Annotated Anodyne Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554780 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cc(F)cc1F ZINC000587554781 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cc(F)cc1F ZINC000587554783 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cc(F)cc1F ZINC000587554784 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cc(F)cc1F ZINC000587554786 JK Annotated Reactive Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554829 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554833 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554835 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554837 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554838 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554841 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554843 JK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554847 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587554862 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000587554863 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587554864 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000587554866 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587554867 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000587554868 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587554869 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000587554870 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587554904 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587554906 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587554907 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587554908 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554946 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554949 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554952 JK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554954 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555034 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555035 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555036 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555037 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555095 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555096 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555098 JK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555100 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)c2)cc1 ZINC000587555115 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)c2)cc1 ZINC000587555116 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)c2)cc1 ZINC000587555117 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)c2)cc1 ZINC000587555118 JK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587555144 JK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587555145 JK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587555147 JK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587555148 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555215 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555216 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555218 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555220 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ncc1Br ZINC000587555274 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ncc1Br ZINC000587555275 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ncc1Br ZINC000587555276 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ncc1Br ZINC000587555279 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555314 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(OC(F)(F)F)c1 ZINC000587555319 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(OC(F)(F)F)c1 ZINC000587555320 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555321 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(OC(F)(F)F)c1 ZINC000587555322 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(OC(F)(F)F)c1 ZINC000587555323 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555324 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555326 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CNc1ccc(Cl)cc1)c1ccccc1 ZINC000587555351 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(Br)c1 ZINC000587555356 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(Br)c1 ZINC000587555357 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(Br)c1 ZINC000587555358 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CNc1ccc(Cl)cc1)c1ccccc1 ZINC000587555359 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(Br)c1 ZINC000587555360 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CNc1ccc(Cl)cc1)c1ccccc1 ZINC000587555361 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CNc1ccc(Cl)cc1)c1ccccc1 ZINC000587555364 JK Annotated Anodyne C[C@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555379 JK Annotated Anodyne C[C@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555380 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555381 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555382 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)nc1Br ZINC000587555426 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)nc1Br ZINC000587555427 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)nc1Br ZINC000587555428 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)nc1Br ZINC000587555429 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(OC(F)F)c1 ZINC000587555430 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(OC(F)F)c1 ZINC000587555431 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(OC(F)F)c1 ZINC000587555432 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(OC(F)F)c1 ZINC000587555433 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587555493 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587555494 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587555496 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587555497 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Br)ccc1F ZINC000587555535 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Br)ccc1F ZINC000587555536 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Br)ccc1F ZINC000587555538 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Br)ccc1F ZINC000587555539 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1F)C1CC1 ZINC000587555607 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1F)C1CC1 ZINC000587555609 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1F)C1CC1 ZINC000587555610 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1F)C1CC1 ZINC000587555611 JK Annotated Anodyne Cc1cc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587555712 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587555714 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587555716 JK Annotated Anodyne Cc1cc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587555718 JK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555759 JK Annotated Bother C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555760 JK Annotated Bother C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555761 JK Annotated Bother C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555762 JK Annotated Bother Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555803 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555805 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555808 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cc(F)c(F)c1F ZINC000587555809 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555810 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cc(F)c(F)c1F ZINC000587555811 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cc(F)c(F)c1F ZINC000587555813 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cc(F)c(F)c1F ZINC000587555814 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1OC(F)(F)F ZINC000587555845 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1OC(F)(F)F ZINC000587555846 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1OC(F)(F)F ZINC000587555847 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1OC(F)(F)F ZINC000587555848 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4c(F)cccc4F)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587555922 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000587555946 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4c(F)cccc4F)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587555947 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4c(F)cccc4F)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587555948 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4c(F)cccc4F)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587555949 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000587555954 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000587555956 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000587555958 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555967 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555971 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555972 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555973 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCC(F)(F)CC1 ZINC000587555978 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCC(F)(F)CC1 ZINC000587555988 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCC(F)(F)CC1 ZINC000587555991 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCC(F)(F)CC1 ZINC000587555993 JK Annotated Reactive COC(=O)c1ccc(F)c(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)c1 ZINC000587556003 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)c1 ZINC000587556006 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)c1 ZINC000587556009 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)c1 ZINC000587556014 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1ccc(Cl)cc1F ZINC000587556029 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1ccc(Cl)cc1F ZINC000587556039 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1ccc(Cl)cc1F ZINC000587556042 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1ccc(Cl)cc1F ZINC000587556045 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556047 JK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556052 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556056 JK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556060 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1Br ZINC000587556061 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1Br ZINC000587556064 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1Br ZINC000587556067 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1Br ZINC000587556071 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000587556087 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000587556096 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000587556098 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000587556100 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556102 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556105 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556110 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556114 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587556147 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587556149 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587556151 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587556153 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556196 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556200 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556202 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556203 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556241 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556242 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556243 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587556254 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587556255 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587556256 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587556257 JK Annotated Anodyne Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587556258 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587556261 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587556263 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587556265 JK Annotated Reactive C[C@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556278 JK Annotated Anodyne CC(C)(Br)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556279 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556280 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556281 JK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556283 JK Annotated Anodyne C[C@]1(c2ccc(OC(F)F)cc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556284 JK Annotated Anodyne CC(C)(Br)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556285 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1 ZINC000587556286 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)nn1[C@H]1CCCCO1 ZINC000587556287 JK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556288 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1 ZINC000587556289 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)nn1[C@H]1CCCCO1 ZINC000587556291 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Br)ccc1F)C1CC1 ZINC000587556298 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Br)ccc1F)C1CC1 ZINC000587556302 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(Br)ccc1F)C1CC1 ZINC000587556304 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(Br)ccc1F)C1CC1 ZINC000587556306 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)c(Br)c1 ZINC000587556307 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)c(Br)c1 ZINC000587556309 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)c(Br)c1 ZINC000587556311 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)c(Br)c1 ZINC000587556312 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000587556351 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000587556354 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000587556356 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000587556358 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(F)c1Cl ZINC000587556361 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(F)c1Cl ZINC000587556363 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(F)c1Cl ZINC000587556366 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(F)c1Cl ZINC000587556369 JK Annotated Reactive COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587556384 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(F)ccc1F)c1ccccc1Cl ZINC000587556386 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(F)ccc1F)c1ccccc1Cl ZINC000587556397 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(F)ccc1F)c1ccccc1Cl ZINC000587556399 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(F)ccc1F)c1ccccc1Cl ZINC000587556401 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(OC(F)(F)F)c1O ZINC000587556407 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(OC(F)(F)F)c1O ZINC000587556419 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(OC(F)(F)F)c1O ZINC000587556424 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(OC(F)(F)F)c1O ZINC000587556428 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000587556455 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000587556459 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000587556461 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000587556462 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556465 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556469 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556471 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556474 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587556500 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587556505 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587556508 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587556509 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587556511 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587556517 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587556520 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587556526 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556534 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556536 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556538 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556539 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587556710 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587556713 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587556715 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587556716 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(COc2cccc(F)c2Br)CCC1 ZINC000587556899 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(COc2cccc(F)c2Br)CCC1 ZINC000587556902 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(COc2cccc(F)c2Br)CCC1 ZINC000587556904 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(COc2cccc(F)c2Br)CCC1 ZINC000587556906 JK Annotated Anodyne C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556943 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556945 JK Annotated Reactive C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556947 JK Annotated Reactive C[C@]1([C@H](Br)Cc2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556949 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1 ZINC000587556956 JK Annotated Reactive C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556958 JK Annotated Reactive C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556959 JK Annotated Reactive C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556960 JK Annotated Reactive C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556961 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1 ZINC000587556963 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1 ZINC000587556965 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1 ZINC000587556967 JK Annotated Reactive CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556970 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556978 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556980 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556982 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556997 JK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556998 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556999 JK Annotated Anodyne C[C@]1(c2cc(Br)ccc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557000 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(C(F)(F)F)ccc(Cl)c2[nH]1 ZINC000587557001 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(C(F)(F)F)ccc(Cl)c2[nH]1 ZINC000587557002 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(C(F)(F)F)ccc(Cl)c2[nH]1 ZINC000587557055 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(C(F)(F)F)ccc(Cl)c2[nH]1 ZINC000587557058 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587557065 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587557067 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587557069 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587557071 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000587557077 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000587557079 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000587557080 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000587557081 JK Annotated Anodyne C[C@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557134 JK Annotated Anodyne C[C@@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557143 JK Annotated Anodyne C[C@@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557145 JK Annotated Anodyne C[C@]1(c2cc(Cl)cc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557147 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)ccc1F ZINC000587557176 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)ccc1F ZINC000587557178 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)ccc1F ZINC000587557180 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)ccc1F ZINC000587557181 JK Annotated Anodyne C[C@]1(c2cc(Br)c(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557182 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557183 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557185 JK Annotated Anodyne C[C@]1(c2cc(Br)c(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557186 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1 ZINC000587557242 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1 ZINC000587557244 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1 ZINC000587557245 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1 ZINC000587557246 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000587557259 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000587557263 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000587557265 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000587557266 JK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587557274 JK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587557279 JK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587557280 JK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587557281 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557355 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557356 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557357 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557358 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557382 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557383 JK Annotated Anodyne C[C@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557384 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3cc(F)ccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557385 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC000587557402 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC000587557403 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC000587557404 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC000587557405 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000587557499 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000587557501 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000587557502 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000587557503 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557504 JK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557505 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557507 JK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557508 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557568 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557569 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557571 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557573 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557605 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557606 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557609 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557611 JK Annotated Anodyne N#CC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557640 JK Annotated Mild N#CC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557641 JK Annotated Mild N#CC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557642 JK Annotated Mild N#CC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557643 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1OC(F)(F)F ZINC000587557709 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1OC(F)(F)F ZINC000587557710 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1OC(F)(F)F ZINC000587557711 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1OC(F)(F)F ZINC000587557712 JK Annotated Reactive Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587557733 JK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587557734 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587557735 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587557736 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587557831 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587557832 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587557833 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587557834 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(F)c1F ZINC000587557839 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(F)c1F ZINC000587557840 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(F)c1F ZINC000587557841 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(F)c1F ZINC000587557842 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000587557859 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000587557861 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557862 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557865 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557866 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557868 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1F ZINC000587557915 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1F ZINC000587557916 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Br)cc1F ZINC000587557917 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Br)cc1F ZINC000587557919 JK Annotated Reactive Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccccc1 ZINC000587557950 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccccc1 ZINC000587557951 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccccc1 ZINC000587557953 JK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccccc1 ZINC000587557955 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587557984 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587557985 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587557986 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587557987 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(OC(F)(F)F)cc1)CC2 ZINC000587557988 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(OC(F)(F)F)cc1)CC2 ZINC000587557991 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000587558048 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OC(F)F ZINC000587558050 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OC(F)F ZINC000587558052 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000587558053 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587558145 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587558146 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587558147 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587558148 JK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558161 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558162 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558163 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558164 JK Annotated Reactive COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587558201 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587558202 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCC(C(F)(F)F)CC2)s1 ZINC000587558255 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCC(C(F)(F)F)CC2)s1 ZINC000587558257 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCC(C(F)(F)F)CC2)s1 ZINC000587558258 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCC(C(F)(F)F)CC2)s1 ZINC000587558259 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000587558285 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000587558286 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000587558287 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000587558288 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587558363 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587558364 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(Br)c1F ZINC000587558406 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(Br)c1F ZINC000587558407 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(Br)c1F ZINC000587558409 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(Br)c1F ZINC000587558411 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000587558435 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000587558436 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000587558437 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000587558438 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@H]3CCCCO3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558458 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@H]3CCCCO3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558460 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558462 JK Annotated Anodyne C[C@]1(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558464 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558523 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558525 JK Annotated Anodyne CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558526 JK Annotated Anodyne CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558527 JK Annotated Anodyne C[C@]1(c2c(F)ccc(Br)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558529 JK Annotated Anodyne C[C@]1(c2c(F)ccc(Br)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558531 JK Annotated Anodyne C[C@@]1(c2c(F)ccc(Br)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558533 JK Annotated Anodyne C[C@@]1(c2c(F)ccc(Br)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558534 JK Annotated Anodyne C[C@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558546 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558547 JK Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558548 JK Annotated Anodyne C[C@]1(c2ccc(OC(F)(F)F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558549 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000587558574 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000587558580 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1Br ZINC000587558592 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1Br ZINC000587558593 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1Br ZINC000587558594 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1Br ZINC000587558595 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000587558596 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000587558597 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000587558598 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000587558599 JK Annotated Anodyne Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl ZINC000587558669 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl ZINC000587558670 JK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl ZINC000587558671 JK Annotated Reactive Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl ZINC000587558672 JK Annotated Reactive C[C@@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558694 JK Annotated Anodyne C[C@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558696 JK Annotated Anodyne C[C@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558699 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558701 JK Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc3)nc2n1 ZINC000587558707 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587558710 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587558712 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587558713 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587558715 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(F)c1F ZINC000587558810 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(F)c1F ZINC000587558812 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(F)c1F ZINC000587558814 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(F)c1F ZINC000587558816 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)(F)F)cc1 ZINC000587558897 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)(F)F)cc1 ZINC000587558899 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)(F)F)cc1 ZINC000587558900 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)(F)F)cc1 ZINC000587558902 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000587558921 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000587558922 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000587558923 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000587558924 JK Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(OCCCOc4ccc(OCc5ccccc5)cc4)c3)nc2n1 ZINC000587559060 JK Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(OCCOc4ccc(OCc5ccccc5)cc4)c3)nc2n1 ZINC000587559061 JK Annotated Anodyne C[C@]1(c2c(Cl)ccc(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559069 JK Annotated Anodyne C[C@]1(c2c(Cl)ccc(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559070 JK Annotated Anodyne C[C@@]1(c2c(Cl)ccc(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559071 JK Annotated Anodyne C[C@@]1(c2c(Cl)ccc(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559072 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559073 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559074 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559075 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559076 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1F ZINC000587559105 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1F ZINC000587559106 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1F ZINC000587559107 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1F ZINC000587559108 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559113 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559114 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559115 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559116 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1c(F)cccc1Cl ZINC000587559117 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1c(F)cccc1Cl ZINC000587559118 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1c(F)cccc1Cl ZINC000587559119 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1c(F)cccc1Cl ZINC000587559120 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OC(F)(F)F ZINC000587559146 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OC(F)(F)F ZINC000587559147 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OC(F)(F)F ZINC000587559148 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OC(F)(F)F ZINC000587559149 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000587559181 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000587559183 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000587559184 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000587559185 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559388 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559391 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559392 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559393 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Cl)c1 ZINC000587559399 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Cl)c1 ZINC000587559400 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Cl)c1 ZINC000587559401 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Cl)c1 ZINC000587559402 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)c(F)c1 ZINC000587559403 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)c(F)c(F)c1 ZINC000587559404 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)c(F)c1 ZINC000587559405 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)c(F)c(F)c1 ZINC000587559406 JK Annotated Reactive COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c(F)c1 ZINC000587559592 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c(F)c1 ZINC000587559593 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c(F)c1 ZINC000587559594 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c(F)c1 ZINC000587559595 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587559612 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587559613 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587559614 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(F)c1 ZINC000587559615 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)cc1Br ZINC000587559628 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)cc1Br ZINC000587559629 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)cc1Br ZINC000587559630 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)cc1Br ZINC000587559631 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587559664 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587559665 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587559666 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587559667 JK Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc3)nc2n1 ZINC000587559715 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000587559808 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000587559809 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000587559810 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000587559811 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559824 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559825 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559826 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559827 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Br)c(F)c1 ZINC000587559828 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Br)c(F)c1 ZINC000587559829 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Br)c(F)c1 ZINC000587559830 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Br)c(F)c1 ZINC000587559831 JK Annotated Reactive CCCCCCCc1cc2c(O)nc(O)nc2nc1-c1c(O)cc(O)cc1CC(=O)OCCCCC ZINC000587559995 JK Annotated Mild Oc1nc(O)c2ccc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nc2n1 ZINC000587560076 JK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4c(O)nc(O)nc4n3)CC[C@@H]12 ZINC000587560080 JK Annotated Anodyne CCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1c(O)oc(CO)c1O ZINC000587560246 JK Annotated Mild CCCCCCCCCCCc1nc2nc(O)nc(O)c2cc1CCCCCCCCCC ZINC000587560461 JK Annotated Mild C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 ZINC000587560482 JK Annotated Anodyne CCCCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587561273 JK Annotated Mild CCCCCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587561733 JK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](c4ccc5c(O)nc(O)nc5n4)CC[C@H]32)C1 ZINC000587562106 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](c5ccc6c(O)nc(O)nc6n5)[C@@]4(C)CC[C@H]32)C1 ZINC000587562108 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](c4ccc5c(O)nc(O)nc5n4)CC[C@H]32)C1 ZINC000587562109 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](c5ccc6c(O)nc(O)nc6n5)[C@@]4(C)CC[C@H]32)C1 ZINC000587562110 JK Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587563356 JK Annotated Reactive COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587563414 JK Annotated Anodyne C#CCOc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587563544 JK Annotated Reactive CCC(C)(C)c1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587563843 JK Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587564014 JK Annotated Reactive CCC(C)(C)c1ccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587564051 JK Annotated Anodyne Cc1cccc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1C ZINC000587564179 JK Annotated Anodyne Cc1cccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587564192 JK Annotated Reactive CCC(C)(C)c1ccc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587564339 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587564362 JK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3cc(C)cc(C)c3)[nH]c2cc1Br ZINC000587564402 JK Annotated Mild CCCCCCCCOc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1Br ZINC000587564453 JK Annotated Mild CCC(C)(C)c1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587564636 JK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc(C(C)(C)CC)cc3)[nH]c2cc1Br ZINC000587564654 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587564687 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587564704 JK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3cccc(C)c3C)[nH]c2cc1Br ZINC000587564837 JK Annotated Mild Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587564946 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587564965 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000587564968 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000587564994 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587565025 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587565131 JK Annotated Reactive Cc1ccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587565500 JK Annotated Bother CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587565506 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587565590 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587565605 JK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1 ZINC000587565694 JK Annotated Anodyne CC(C)CCOc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Br ZINC000587565732 JK Annotated Anodyne CCCCCOc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Br ZINC000587565755 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587565795 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 ZINC000587565807 JK Annotated Reactive COC(=O)c1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587565852 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587565995 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587566045 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587566072 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br ZINC000587566074 JK Annotated Mild CC(C)COc1cccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587566099 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587566124 JK Annotated Anodyne CC(C)COc1cccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587566179 JK Annotated Anodyne O=Cc1ccc(OCCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000587566431 JK Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587566467 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566629 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566632 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566633 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566634 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000587566702 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000587566707 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000587566709 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000587566711 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(I)c1O ZINC000587566834 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(I)c1O ZINC000587566837 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(I)c1O ZINC000587566840 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(I)c1O ZINC000587566841 JK Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587566873 JK Annotated Reactive C[C@@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566928 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566929 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566930 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566931 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000587566932 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000587566933 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000587566934 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000587566935 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Cl ZINC000587566964 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Cl ZINC000587566966 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Cl ZINC000587566968 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Cl ZINC000587566970 JK Annotated Reactive CCCOc1cccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587566975 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1F ZINC000587567003 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1F ZINC000587567004 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1F ZINC000587567005 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587567057 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587567058 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587567059 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587567060 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1F ZINC000587567097 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587567112 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587567113 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587567114 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587567115 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1F ZINC000587567158 JK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1F ZINC000587567159 JK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1F ZINC000587567160 JK Annotated Clean Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1F ZINC000587567161 JK Annotated Clean Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1F ZINC000587567175 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1F ZINC000587567176 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1F ZINC000587567177 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1F ZINC000587567178 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567191 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567192 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567193 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567194 JK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587567195 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587567196 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587567297 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587567298 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587567300 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587567301 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587567302 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587567303 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1ccccc1F ZINC000587567304 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1ccccc1F ZINC000587567305 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1ccccc1F ZINC000587567306 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1ccccc1F ZINC000587567307 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000587567336 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000587567337 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000587567338 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000587567339 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000587567375 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000587567376 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000587567377 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000587567378 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cc(Cl)cs1 ZINC000587567399 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cc(Cl)cs1 ZINC000587567400 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cc(Cl)cs1 ZINC000587567401 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cc(Cl)cs1 ZINC000587567402 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587567407 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587567408 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587567409 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587567410 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587567423 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587567424 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587567425 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587567426 JK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587567435 JK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587567436 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1cc(F)ccc12 ZINC000587567449 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1cc(F)ccc12 ZINC000587567450 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1cc(F)ccc12 ZINC000587567451 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1cc(F)ccc12 ZINC000587567453 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cc(Cl)nc(Cl)n1 ZINC000587567472 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cc(Cl)nc(Cl)n1 ZINC000587567473 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cc(Cl)nc(Cl)n1 ZINC000587567475 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cc(Cl)nc(Cl)n1 ZINC000587567477 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567487 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567489 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567490 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567491 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1ccc(F)cc12 ZINC000587567573 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1ccc(F)cc12 ZINC000587567574 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1ccc(F)cc12 ZINC000587567575 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1ccc(F)cc12 ZINC000587567576 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(I)c1 ZINC000587567593 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(I)c1 ZINC000587567594 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(I)c1 ZINC000587567595 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(I)c1 ZINC000587567596 JK Annotated Anodyne N#CCc1ccc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587567614 JK Annotated Mild N#CCc1ccc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587567615 JK Annotated Mild N#CCc1ccc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587567616 JK Annotated Mild N#CCc1ccc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587567617 JK Annotated Mild CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1ccccc1F ZINC000587567636 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1ccccc1F ZINC000587567637 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1ccccc1F ZINC000587567638 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1ccccc1F ZINC000587567639 JK Annotated Anodyne CC(C)(C)[C@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567648 JK Annotated Anodyne CC(C)(C)[C@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567649 JK Annotated Anodyne CC(C)(C)[C@@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567650 JK Annotated Anodyne CC(C)(C)[C@@]1(CC(=O)Nc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567651 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(F)cc1Cl ZINC000587567683 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(F)cc1Cl ZINC000587567684 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(F)cc1Cl ZINC000587567685 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(F)cc1Cl ZINC000587567686 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(F)c1 ZINC000587567711 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(F)c1 ZINC000587567712 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(F)c1 ZINC000587567713 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(F)c1 ZINC000587567714 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000587567735 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000587567736 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000587567737 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000587567738 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccccc1)c1ccc(F)cc1 ZINC000587567783 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1ccccc1)c1ccc(F)cc1 ZINC000587567789 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1ccccc1)c1ccc(F)cc1 ZINC000587567791 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccccc1)c1ccc(F)cc1 ZINC000587567794 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1 ZINC000587567805 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1 ZINC000587567806 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1 ZINC000587567807 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1 ZINC000587567809 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587567817 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587567834 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587567836 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587567838 JK Annotated Anodyne Cc1cc(I)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587567851 JK Annotated Anodyne Cc1cc(I)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587567854 JK Annotated Anodyne Cc1cc(I)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587567855 JK Annotated Anodyne Cc1cc(I)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587567856 JK Annotated Anodyne C[C@]1(CCc2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567882 JK Annotated Anodyne C[C@]1(CCc2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567883 JK Annotated Anodyne C[C@@]1(CCc2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567885 JK Annotated Anodyne C[C@@]1(CCc2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567887 JK Annotated Anodyne COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567917 JK Annotated Mild COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567920 JK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567922 JK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567924 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2ccccc2F)ccc2ccccc12 ZINC000587568042 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2ccccc2F)ccc2ccccc12 ZINC000587568043 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2ccccc2F)ccc2ccccc12 ZINC000587568044 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2ccccc2F)ccc2ccccc12 ZINC000587568045 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587568051 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587568052 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587568053 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1F ZINC000587568054 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568059 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568060 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568061 JK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568063 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587568080 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587568081 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587568082 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587568083 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568093 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568095 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568097 JK Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568099 JK Annotated Bother COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568100 JK Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568106 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568107 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568110 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(Cl)c(F)c1 ZINC000587568136 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(Cl)c(F)c1 ZINC000587568142 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(Cl)c(F)c1 ZINC000587568144 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(Cl)c(F)c1 ZINC000587568145 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000587568156 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568157 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000587568158 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000587568159 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568160 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000587568161 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568162 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccc(F)cc1)Nc1ccccc12 ZINC000587568167 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccc(F)cc1)Nc1ccccc12 ZINC000587568168 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccc(F)cc1)Nc1ccccc12 ZINC000587568169 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccc(F)cc1)Nc1ccccc12 ZINC000587568170 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587568175 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587568176 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587568177 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587568178 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587568179 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587568180 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587568181 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000587568182 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nncs1)c1ccc(F)cc1 ZINC000587568187 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nncs1)c1ccc(F)cc1 ZINC000587568188 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nncs1)c1ccc(F)cc1 ZINC000587568189 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nncs1)c1ccc(F)cc1 ZINC000587568190 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1Cl ZINC000587568199 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1Cl ZINC000587568200 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1Cl ZINC000587568202 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1Cl ZINC000587568205 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(I)cccc12 ZINC000587568207 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(I)cccc12 ZINC000587568208 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(I)cccc12 ZINC000587568210 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(I)cccc12 ZINC000587568212 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(F)ccc(F)c21 ZINC000587568261 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(F)ccc(F)c21 ZINC000587568265 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(F)ccc(F)c21 ZINC000587568266 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(F)ccc(F)c21 ZINC000587568267 JK Annotated Anodyne Cc1cccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568288 JK Annotated Anodyne Cc1cccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568289 JK Annotated Anodyne Cc1cccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568290 JK Annotated Anodyne Cc1cccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568292 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568363 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568364 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568365 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568366 JK Annotated Anodyne CC(C)(C)OC(=O)N(CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Cc1ccccc1 ZINC000587568377 JK Annotated Anodyne CC(C)(C)OC(=O)N(CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Cc1ccccc1 ZINC000587568378 JK Annotated Anodyne CC(C)(C)OC(=O)N(CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Cc1ccccc1 ZINC000587568379 JK Annotated Anodyne CC(C)(C)OC(=O)N(CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Cc1ccccc1 ZINC000587568380 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568384 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568433 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568434 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568435 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568436 JK Annotated Reactive C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568443 JK Annotated Reactive C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568444 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568445 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568446 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1cccc(Br)c1 ZINC000587568497 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1cccc(Br)c1 ZINC000587568498 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1cccc(Br)c1 ZINC000587568499 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1cccc(Br)c1 ZINC000587568500 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O ZINC000587568549 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O ZINC000587568550 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O ZINC000587568551 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O ZINC000587568552 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568561 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568562 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568563 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568564 JK Annotated Anodyne CC(C)(C)[C@]1(COC(=O)c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568783 JK Annotated Anodyne CC(C)(C)[C@@]1(COC(=O)c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568786 JK Annotated Anodyne CC(C)(C)[C@]1(COC(=O)c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568787 JK Annotated Anodyne CC(C)(C)[C@@]1(COC(=O)c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568788 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568789 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568790 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568791 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568793 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568830 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568831 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568832 JK Annotated Anodyne Nc1cc(Cl)ccc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568833 JK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)c2)c(C)c1 ZINC000587568863 JK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)c2)c(C)c1 ZINC000587568864 JK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)c2)c(C)c1 ZINC000587568865 JK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)c2)c(C)c1 ZINC000587568866 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568873 JK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568874 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568875 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587568876 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000587568901 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000587568902 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000587568903 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000587568904 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587568905 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587568906 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587568907 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587568908 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCOc1ccccc1)c1ccc(F)cc1 ZINC000587568941 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCOc1ccccc1)c1ccc(F)cc1 ZINC000587568942 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCOc1ccccc1)c1ccc(F)cc1 ZINC000587568943 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCOc1ccccc1)c1ccc(F)cc1 ZINC000587568944 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568953 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568954 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568955 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568956 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000587568965 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000587568966 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000587568967 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000587568968 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568977 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568978 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568979 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568980 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587568985 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587568986 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587568987 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587568988 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2ccccc2c1I ZINC000587569090 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2ccccc2c1I ZINC000587569095 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2ccccc2c1I ZINC000587569097 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2ccccc2c1I ZINC000587569099 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)[C@@H](Br)c1ccccc1F ZINC000587569160 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)[C@@H](Br)c1ccccc1F ZINC000587569161 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CC1)[C@H](Br)c1ccccc1F ZINC000587569162 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CC1)[C@H](Br)c1ccccc1F ZINC000587569163 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Oc1ccc(F)cc1F ZINC000587569195 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Oc1ccc(F)cc1F ZINC000587569197 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Oc1ccc(F)cc1F ZINC000587569199 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Oc1ccc(F)cc1F ZINC000587569200 JK Annotated Anodyne O=C(O)[C@@H]1CCC[C@H]([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587569213 JK Annotated Anodyne O=C(O)[C@@H]1CCC[C@H]([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587569215 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000587569217 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000587569220 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587569222 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587569224 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587569226 JK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H]([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587569229 JK Annotated Anodyne O=C(O)c1ccc(F)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587569231 JK Annotated Anodyne O=C(O)c1ccc(F)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587569233 JK Annotated Anodyne O=C(O)c1ccc(F)cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587569235 JK Annotated Anodyne O=C(O)c1ccc(F)cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587569237 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569256 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569257 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569258 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569259 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569291 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569298 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569301 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569304 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccccc1F ZINC000587569312 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccccc1F ZINC000587569314 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccccc1F ZINC000587569315 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccccc1F ZINC000587569317 JK Annotated Anodyne C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569328 JK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569329 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569330 JK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569331 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587569339 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587569341 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587569344 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587569346 JK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nc(Cl)ncc1F ZINC000587569357 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569363 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569364 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569365 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569366 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569375 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569376 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569377 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569378 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569379 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569380 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569381 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569382 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(F)cc12 ZINC000587569415 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(F)cc12 ZINC000587569416 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(F)cc12 ZINC000587569417 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(F)cc12 ZINC000587569418 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nc(Cl)ncc1F ZINC000587569486 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nc(Cl)ncc1F ZINC000587569489 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nc(Cl)ncc1F ZINC000587569491 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1F ZINC000587569516 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1F ZINC000587569518 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1F ZINC000587569519 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1F ZINC000587569522 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1ccc(F)cc1F ZINC000587569560 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1ccc(F)cc1F ZINC000587569563 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1ccc(F)cc1F ZINC000587569565 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1ccc(F)cc1F ZINC000587569567 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569655 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569656 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569657 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569658 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccccc3F)sc12 ZINC000587569663 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccccc3F)sc12 ZINC000587569664 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccccc3F)sc12 ZINC000587569665 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccccc3F)sc12 ZINC000587569666 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587569728 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587569730 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587569736 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587569738 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569754 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569755 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569756 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569758 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000587569774 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000587569775 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000587569776 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000587569777 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccccc1F ZINC000587569929 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccccc1F ZINC000587569931 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccccc1F ZINC000587569933 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccccc1F ZINC000587569935 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569949 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569955 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569957 JK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569959 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587569993 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587569994 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587569995 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587569997 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2F)nc2sccn12 ZINC000587570074 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2F)nc2sccn12 ZINC000587570084 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2F)nc2sccn12 ZINC000587570086 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2F)nc2sccn12 ZINC000587570089 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587570108 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587570118 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587570120 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587570122 JK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570125 JK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570126 JK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570127 JK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570129 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000587570166 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000587570167 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000587570168 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000587570169 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570170 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570172 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570174 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570176 JK Annotated Anodyne N#Cc1ccc([C@@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570367 JK Annotated Mild N#Cc1ccc([C@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570370 JK Annotated Mild N#Cc1ccc([C@@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570372 JK Annotated Mild N#Cc1ccc([C@]2([C@@H]3CC[C@@H](C(=O)O)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570373 JK Annotated Mild CC1(C)COC(CCC[C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)OC1 ZINC000587570382 JK Annotated Anodyne CC1(C)COC(CCC[C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)OC1 ZINC000587570384 JK Annotated Anodyne CC1(C)COC(CCC[C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)OC1 ZINC000587570386 JK Annotated Anodyne CC1(C)COC(CCC[C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)OC1 ZINC000587570389 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000587570451 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000587570453 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000587570454 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000587570455 JK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587570469 JK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587570471 JK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587570474 JK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587570475 JK Annotated Anodyne COC(=O)CCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570550 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570551 JK Annotated Anodyne COC(=O)CCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570552 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570553 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000587570566 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000587570568 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000587570570 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000587570571 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570574 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570576 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570577 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570579 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(I)c1O ZINC000587570678 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(I)c1O ZINC000587570680 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(I)c1O ZINC000587570682 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(I)c1O ZINC000587570684 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587570704 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587570707 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587570710 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587570713 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570760 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570761 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570762 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570763 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587570790 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587570791 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587570792 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587570793 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587570819 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587570823 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587570825 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587570827 JK Annotated Bother CC1(C)CC(=O)C(C[C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587570850 JK Annotated Anodyne CC1(C)CC(=O)C(C[C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587570852 JK Annotated Anodyne CC1(C)CC(=O)C(C[C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587570854 JK Annotated Anodyne CC1(C)CC(=O)C(C[C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587570857 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccc(F)cc3)sc12 ZINC000587570869 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccc(F)cc3)sc12 ZINC000587570870 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccc(F)cc3)sc12 ZINC000587570871 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccc(F)cc3)sc12 ZINC000587570873 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCSc1ccccn1)c1ccc(F)cc1 ZINC000587570875 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCSc1ccccn1)c1ccc(F)cc1 ZINC000587570876 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCSc1ccccn1)c1ccc(F)cc1 ZINC000587570877 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCSc1ccccn1)c1ccc(F)cc1 ZINC000587570878 JK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc12 ZINC000587570879 JK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc12 ZINC000587570880 JK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc12 ZINC000587570882 JK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc12 ZINC000587570883 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570979 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570981 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570982 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570983 JK Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571018 JK Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571020 JK Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571022 JK Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571024 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)cc2F)o1 ZINC000587571068 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)cc2F)o1 ZINC000587571070 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)cc2F)o1 ZINC000587571071 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)cc2F)o1 ZINC000587571072 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cccc(OCCC)c3)[nH]c2cc1Br ZINC000587571081 JK Annotated Mild CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571089 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571098 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571099 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571100 JK Annotated Anodyne C[C@]1(c2c[nH]c3cccc(I)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571125 JK Annotated Anodyne C[C@]1(c2c[nH]c3cccc(I)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571127 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cccc(I)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571129 JK Annotated Anodyne C[C@@]1(c2c[nH]c3cccc(I)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571131 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(Cc1ccccc1F)Cc1ccccc1F ZINC000587571196 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(Cc1ccccc1F)Cc1ccccc1F ZINC000587571200 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Cl ZINC000587571216 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Cl ZINC000587571224 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Cl ZINC000587571227 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Cl ZINC000587571230 JK Annotated Reactive COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587571339 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587571340 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587571341 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587571342 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571387 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571388 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571389 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571390 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000587571391 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000587571392 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000587571393 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000587571394 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(F)cc1 ZINC000587571403 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCBr)c1ccc(F)cc1 ZINC000587571404 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(F)cc1 ZINC000587571405 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCBr)c1ccc(F)cc1 ZINC000587571406 JK Annotated Reactive COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1 ZINC000587571411 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1 ZINC000587571412 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1 ZINC000587571413 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1 ZINC000587571414 JK Annotated Anodyne COc1ccc(C=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571556 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571557 JK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571558 JK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571559 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571682 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571683 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571684 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587571685 JK Annotated Bother CN(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(F)cc1 ZINC000587571686 JK Annotated Anodyne CN(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(F)cc1 ZINC000587571687 JK Annotated Anodyne CN(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(F)cc1 ZINC000587571688 JK Annotated Anodyne CN(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(F)cc1 ZINC000587571689 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCSc1ccccc1)c1ccc(F)cc1 ZINC000587571706 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCSc1ccccc1)c1ccc(F)cc1 ZINC000587571707 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCSc1ccccc1)c1ccc(F)cc1 ZINC000587571708 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCSc1ccccc1)c1ccc(F)cc1 ZINC000587571709 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587571734 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587571735 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587571736 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587571737 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571742 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571743 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571744 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571745 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000587571750 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000587571751 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000587571752 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000587571753 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000587571774 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000587571775 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571857 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571861 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571862 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571863 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571928 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571929 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571931 JK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571933 JK Annotated Anodyne C[C@]1(c2cc(I)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571981 JK Annotated Anodyne C[C@@]1(c2cc(I)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571982 JK Annotated Anodyne C[C@@]1(c2cc(I)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571983 JK Annotated Anodyne C[C@]1(c2cc(I)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571984 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000587571991 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000587571992 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCC1OCCO1)Cc1ccc(F)cc1 ZINC000587572001 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCC1OCCO1)Cc1ccc(F)cc1 ZINC000587572002 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCC1OCCO1)Cc1ccc(F)cc1 ZINC000587572003 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCC1OCCO1)Cc1ccc(F)cc1 ZINC000587572004 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572021 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572022 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572023 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572024 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cccc(F)c1 ZINC000587572041 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cccc(F)c1 ZINC000587572042 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cccc(F)c1 ZINC000587572043 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cccc(F)c1 ZINC000587572044 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(F)cc1 ZINC000587572065 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(F)cc1 ZINC000587572066 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(F)cc1 ZINC000587572067 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(F)cc1 ZINC000587572068 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2ccccn12 ZINC000587572081 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2ccccn12 ZINC000587572082 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2ccccn12 ZINC000587572083 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2ccccn12 ZINC000587572084 JK Annotated Anodyne CN(C)/C=C/[C@@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572097 JK Annotated Anodyne CN(C)/C=C/[C@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572098 JK Annotated Anodyne CN(C)/C=C/[C@@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572099 JK Annotated Anodyne CN(C)/C=C/[C@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572100 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587572101 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587572102 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587572103 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587572104 JK Annotated Anodyne CCCCN(CCCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587572152 JK Annotated Anodyne CCCCN(CCCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587572156 JK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587572158 JK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587572160 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572163 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572165 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572166 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572167 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000587572228 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000587572233 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000587572234 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000587572235 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572335 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572336 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572337 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572338 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1coc2ccc(O)cc12 ZINC000587572343 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1coc2ccc(O)cc12 ZINC000587572344 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1coc2ccc(O)cc12 ZINC000587572345 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1coc2ccc(O)cc12 ZINC000587572346 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000587572355 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000587572356 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000587572357 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000587572358 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000587572359 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000587572360 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000587572361 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000587572362 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572450 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572452 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572454 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(I)=CO2 ZINC000587572456 JK Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 ZINC000587572607 JK Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 ZINC000587572608 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 ZINC000587572609 JK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 ZINC000587572610 JK Annotated Mild Nc1ccc(Cl)cc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572643 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572644 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572645 JK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572646 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000587572655 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000587572656 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000587572657 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000587572658 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccccc1Cl ZINC000587572659 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccccc1Cl ZINC000587572660 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccccc1Cl ZINC000587572661 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccccc1Cl ZINC000587572662 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587572683 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587572684 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587572685 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587572686 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000587572687 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000587572688 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000587572689 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000587572690 JK Annotated Anodyne O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587572776 JK Annotated Anodyne O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587572777 JK Annotated Anodyne O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587572778 JK Annotated Anodyne O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587572779 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587572844 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587572849 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587572852 JK Annotated Bother CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572853 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587572854 JK Annotated Bother CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572857 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(I)cc1 ZINC000587572903 JK Annotated Reactive Nc1c([C@]2(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587572904 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(I)cc1 ZINC000587572905 JK Annotated Reactive Nc1c([C@@]2(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587572906 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(I)cc1 ZINC000587572907 JK Annotated Reactive Nc1c([C@@]2(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587572908 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(I)cc1 ZINC000587572909 JK Annotated Reactive Nc1c([C@]2(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587572911 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 ZINC000587572926 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587572930 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 ZINC000587572932 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 ZINC000587572933 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 ZINC000587572935 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587572948 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587572950 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587572952 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 ZINC000587572962 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 ZINC000587572963 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 ZINC000587572964 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 ZINC000587572965 JK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572966 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572967 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572968 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000587572970 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572972 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572975 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572976 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572977 JK Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572982 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572994 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572996 JK Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572998 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccc(F)cc2)c1 ZINC000587573002 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccc(F)cc2)c1 ZINC000587573004 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccc(F)cc2)c1 ZINC000587573006 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccc(F)cc2)c1 ZINC000587573008 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587573018 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587573020 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587573022 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000587573025 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)n2)cc1 ZINC000587573034 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)n2)cc1 ZINC000587573035 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)n2)cc1 ZINC000587573037 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)n2)cc1 ZINC000587573039 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573048 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573049 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573050 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573051 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573074 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573075 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573076 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573077 JK Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc2c1 ZINC000587573078 JK Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc2c1 ZINC000587573079 JK Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc2c1 ZINC000587573080 JK Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(F)cc3)nc2c1 ZINC000587573081 JK Annotated Anodyne C[C@]1(c2cc(F)ccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573098 JK Annotated Anodyne C[C@@]1(c2cc(F)ccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573100 JK Annotated Anodyne C[C@@]1(c2cc(F)ccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573102 JK Annotated Anodyne C[C@]1(c2cc(F)ccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573103 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573116 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573117 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573118 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573119 JK Annotated Anodyne CCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573176 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573179 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573182 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573188 JK Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587573306 JK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587573312 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587573314 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587573316 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587573359 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587573361 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587573363 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587573364 JK Annotated Bother Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573389 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573391 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573392 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573393 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587573410 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587573414 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587573417 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587573419 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573495 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573496 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573497 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573498 JK Annotated Mild C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573586 JK Annotated Reactive C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573593 JK Annotated Reactive C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573594 JK Annotated Reactive C[C@]1(c2cccc(S(F)(F)(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573595 JK Annotated Reactive CN(C)c1ccc([C@H](O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573647 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573648 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573649 JK Annotated Clean CN(C)c1ccc([C@H](O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573650 JK Annotated Clean Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573683 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573684 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573685 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573686 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573707 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573708 JK Annotated Anodyne C[C@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573709 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573710 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587573719 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587573727 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587573728 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587573729 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587573755 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587573756 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587573758 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587573760 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2sccn12 ZINC000587573761 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2sccn12 ZINC000587573763 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2sccn12 ZINC000587573764 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2sccn12 ZINC000587573765 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COCc1ccccc1)c1ccc(F)cc1 ZINC000587573773 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COCc1ccccc1)c1ccc(F)cc1 ZINC000587573775 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COCc1ccccc1)c1ccc(F)cc1 ZINC000587573776 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COCc1ccccc1)c1ccc(F)cc1 ZINC000587573777 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587573798 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587573799 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587573800 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587573801 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000587573802 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000587573803 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000587573804 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000587573805 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C#N ZINC000587573826 JK Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C#N ZINC000587573827 JK Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C#N ZINC000587573829 JK Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C#N ZINC000587573831 JK Annotated Mild COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587573930 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587573933 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587573934 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587573935 JK Annotated Bother C[C@@H]([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(Cc1ccccc1)Cc1ccccc1 ZINC000587573963 JK Annotated Anodyne C[C@@H]([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(Cc1ccccc1)Cc1ccccc1 ZINC000587573964 JK Annotated Anodyne C[C@@H]([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(Cc1ccccc1)Cc1ccccc1 ZINC000587573965 JK Annotated Anodyne C[C@@H]([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(Cc1ccccc1)Cc1ccccc1 ZINC000587573966 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587573973 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587573974 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587573975 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587573976 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587573979 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587573980 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587573981 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587573982 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574006 JK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574007 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574008 JK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574009 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587574034 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587574035 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587574036 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(F)c1 ZINC000587574037 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574082 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574084 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574086 JK Annotated Anodyne Cn1c(Oc2ccc(F)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574087 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574088 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574089 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574091 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574093 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587574107 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587574112 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587574114 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587574116 JK Annotated Clean Cc1cnc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587574155 JK Annotated Anodyne Cc1cnc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587574159 JK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587574160 JK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587574161 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000587574217 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000587574227 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000587574229 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000587574231 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 ZINC000587574272 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 ZINC000587574275 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 ZINC000587574277 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 ZINC000587574279 JK Annotated Bother CC(C)(C)OC(=O)NCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574298 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574299 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574300 JK Annotated Anodyne CC(C)(C)OC(=O)NCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574301 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587574323 JK Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587574324 JK Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587574325 JK Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587574326 JK Annotated Bother Nc1c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587574339 JK Annotated Bother Nc1c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587574340 JK Annotated Bother Nc1c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587574341 JK Annotated Bother Nc1c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587574342 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587574351 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587574352 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587574353 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000587574354 JK Annotated Bother COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587574359 JK Annotated Bother COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587574360 JK Annotated Bother COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587574361 JK Annotated Bother COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587574362 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000587574375 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000587574376 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000587574377 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000587574378 JK Annotated Bother Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574397 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574398 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574399 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574400 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(F)cc1Cl ZINC000587574401 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(F)cc1Cl ZINC000587574402 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(F)cc1Cl ZINC000587574403 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(F)cc1Cl ZINC000587574404 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587574421 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587574422 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587574423 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587574424 JK Annotated Anodyne Cn1c(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587574437 JK Annotated Anodyne Cn1c(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587574438 JK Annotated Anodyne Cn1c(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587574439 JK Annotated Anodyne Cn1c(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587574440 JK Annotated Anodyne CC(=O)c1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587574449 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587574450 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587574451 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587574452 JK Annotated Clean CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574492 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574493 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574494 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574495 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574526 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574539 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574542 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574544 JK Annotated Anodyne COC(=O)c1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587574546 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587574549 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587574550 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587574551 JK Annotated Clean O=C(C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587574653 JK Annotated Bother O=C(C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587574654 JK Annotated Bother O=C(C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587574655 JK Annotated Bother O=C(C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587574656 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000587574685 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000587574686 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000587574687 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000587574688 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000587574725 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000587574726 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000587574727 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000587574728 JK Annotated Bother O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)NC1CCCC1 ZINC000587574877 JK Annotated Anodyne O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)NC1CCCC1 ZINC000587574881 JK Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)NC1CCCC1 ZINC000587574882 JK Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)NC1CCCC1 ZINC000587574883 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc3ccccc23)c2ccccc12 ZINC000587574929 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc3ccccc23)c2ccccc12 ZINC000587574930 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc3ccccc23)c2ccccc12 ZINC000587574931 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc3ccccc23)c2ccccc12 ZINC000587574932 JK Annotated Anodyne Cc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587574933 JK Annotated Anodyne Cc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587574934 JK Annotated Anodyne Cc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587574935 JK Annotated Anodyne Cc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587574936 JK Annotated Anodyne C=CCN(CC=C)Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587574994 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587574996 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587574998 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587575000 JK Annotated Mild C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C ZINC000587575008 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C ZINC000587575009 JK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C ZINC000587575010 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C ZINC000587575011 JK Annotated Anodyne Cc1ccc(C)c(Cn2c(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575175 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575176 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575177 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575178 JK Annotated Clean CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575255 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575256 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575257 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575258 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587575275 JK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587575276 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587575277 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587575278 JK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575291 JK Annotated Bother Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575292 JK Annotated Bother Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575293 JK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575294 JK Annotated Bother CN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575319 JK Annotated Bother CN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575320 JK Annotated Bother CN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575321 JK Annotated Bother CN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575322 JK Annotated Bother CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587575347 JK Annotated Bother CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587575348 JK Annotated Bother CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587575349 JK Annotated Bother CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587575350 JK Annotated Bother Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575556 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575557 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575558 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575559 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587575576 JK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587575577 JK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587575578 JK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc2n1-c1ccccc1 ZINC000587575579 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587575590 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587575591 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587575592 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587575593 JK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587575615 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587575616 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587575617 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587575618 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587575683 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587575685 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587575686 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587575687 JK Annotated Bother CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587575758 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587575759 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587575760 JK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587575761 JK Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575774 JK Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575775 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575807 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575808 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575810 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575812 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575813 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575816 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575819 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575821 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587575843 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587575846 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 ZINC000587575849 JK Annotated Anodyne CC(C)(C)C(=O)Nc1ccnc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 ZINC000587575851 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587575858 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587575870 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587575872 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000587575874 JK Annotated Bother COc1cccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575901 JK Annotated Anodyne COc1cccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575904 JK Annotated Anodyne COc1cccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575906 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587575907 JK Annotated Bother COc1cccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587575908 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587575909 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587575911 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587575912 JK Annotated Bother Cn1c(Oc2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575964 JK Annotated Anodyne Cn1c(Oc2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575984 JK Annotated Anodyne Cn1c(Oc2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575987 JK Annotated Anodyne Cn1c(Oc2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575989 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575992 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575998 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576000 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576001 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576066 JK Annotated Mild C[C@@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576067 JK Annotated Mild C[C@@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576068 JK Annotated Mild C[C@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576069 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576078 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576079 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576080 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576081 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587576125 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587576137 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587576139 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587576141 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000587576180 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000587576183 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000587576186 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000587576189 JK Annotated Bother Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2ccccc2c1 ZINC000587576195 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2ccccc2c1 ZINC000587576203 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2ccccc2c1 ZINC000587576207 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2ccccc2c1 ZINC000587576210 JK Annotated Clean Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587576212 JK Annotated Anodyne Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587576215 JK Annotated Anodyne Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587576217 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587576218 JK Annotated Bother Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587576219 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587576225 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587576226 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587576228 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000587576244 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000587576245 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000587576246 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000587576248 JK Annotated Bother O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 ZINC000587576260 JK Annotated Bother O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 ZINC000587576262 JK Annotated Bother O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 ZINC000587576264 JK Annotated Bother O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 ZINC000587576266 JK Annotated Bother Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576279 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576280 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576281 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576282 JK Annotated Anodyne C[C@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576357 JK Annotated Anodyne C[C@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576359 JK Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576361 JK Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576363 JK Annotated Anodyne Cc1ccc(Cn2c(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587576450 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587576454 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587576457 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587576460 JK Annotated Clean CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587576532 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587576537 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587576540 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587576542 JK Annotated Bother CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587576543 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587576546 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587576547 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587576549 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2oc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587576561 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2oc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587576575 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2oc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587576577 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2oc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587576579 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576605 JK Annotated Bother C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576612 JK Annotated Bother CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576624 JK Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576625 JK Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576626 JK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576627 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576639 JK Annotated Bother C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576640 JK Annotated Bother C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576717 JK Annotated Bother C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576720 JK Annotated Bother C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576725 JK Annotated Bother C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576728 JK Annotated Bother CCOC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576733 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576740 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576743 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576745 JK Annotated Clean C[C@@]1(c2ccc(NC(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576830 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576843 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576844 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576845 JK Annotated Anodyne COc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576892 JK Annotated Anodyne COc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576897 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576898 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587576899 JK Annotated Anodyne COc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587576901 JK Annotated Anodyne COc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587576907 JK Annotated Anodyne COc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587576909 JK Annotated Anodyne COc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587576912 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587576952 JK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587576953 JK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587576954 JK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587576955 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 ZINC000587577018 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 ZINC000587577021 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 ZINC000587577023 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 ZINC000587577025 JK Annotated Bother CC(C)(C)OC(=O)n1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 ZINC000587577057 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 ZINC000587577058 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 ZINC000587577060 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 ZINC000587577062 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577064 JK Annotated Bother Cc1cccc(Cn2c(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587577068 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587577069 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587577070 JK Annotated Clean COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577071 JK Annotated Bother Cc1cccc(Cn2c(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587577072 JK Annotated Clean COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577073 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577074 JK Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1-n1cccc1 ZINC000587577075 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1-n1cccc1 ZINC000587577087 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1-n1cccc1 ZINC000587577089 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1-n1cccc1 ZINC000587577091 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577171 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577172 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577174 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577176 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587577240 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587577241 JK Annotated Bother COc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587577242 JK Annotated Bother COc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587577243 JK Annotated Bother COc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587577244 JK Annotated Bother COc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587577245 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000587577304 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000587577310 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000587577313 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000587577315 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000587577355 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000587577357 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000587577361 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000587577365 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)c1C ZINC000587577435 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)c1C ZINC000587577440 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)c1C ZINC000587577442 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)c1C ZINC000587577443 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587577511 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587577514 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587577515 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587577516 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000587577578 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000587577579 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000587577580 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000587577581 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2n1Cc1cccc2ccccc12 ZINC000587577617 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2n1Cc1cccc2ccccc12 ZINC000587577620 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2n1Cc1cccc2ccccc12 ZINC000587577624 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2n1Cc1cccc2ccccc12 ZINC000587577627 JK Annotated Anodyne COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587577643 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587577645 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587577649 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587577651 JK Annotated Bother O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 ZINC000587577760 JK Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 ZINC000587577773 JK Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 ZINC000587577775 JK Annotated Anodyne O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 ZINC000587577776 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587577983 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587577984 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587577986 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587577988 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C#N)ccc21 ZINC000587577995 JK Annotated Mild CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C#N)ccc21 ZINC000587577996 JK Annotated Mild CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C#N)ccc21 ZINC000587577997 JK Annotated Mild CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C#N)ccc21 ZINC000587577998 JK Annotated Mild C[C@H](c1ccccc1)n1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587578048 JK Annotated Anodyne C[C@H](c1ccccc1)n1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587578049 JK Annotated Anodyne C[C@H](c1ccccc1)n1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587578050 JK Annotated Anodyne C[C@H](c1ccccc1)n1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587578051 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578103 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578106 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578109 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578112 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587578129 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587578132 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587578135 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587578136 JK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578176 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578177 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578178 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578179 JK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 ZINC000587578250 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 ZINC000587578252 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 ZINC000587578253 JK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 ZINC000587578255 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587578267 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587578269 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587578270 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587578272 JK Annotated Bother Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587578412 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587578419 JK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587578421 JK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccccc1 ZINC000587578423 JK Annotated Mild CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578512 JK Annotated Anodyne CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578518 JK Annotated Anodyne CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578522 JK Annotated Anodyne CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578525 JK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587578538 JK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587578540 JK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587578542 JK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587578544 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578619 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578635 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578638 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578640 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587578691 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587578692 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587578693 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587578694 JK Annotated Bother CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578740 JK Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000587578744 JK Annotated Bother O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000587578745 JK Annotated Bother O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000587578746 JK Annotated Bother O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000587578747 JK Annotated Bother CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578748 JK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587578749 JK Annotated Bother CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578750 JK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587578751 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587578752 JK Annotated Bother CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578753 JK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587578754 JK Annotated Bother Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587578755 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587578758 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587578760 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587578762 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578772 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578773 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578774 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578776 JK Annotated Clean CCc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578786 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578791 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578794 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578797 JK Annotated Mild COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578870 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578871 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578872 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578873 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587578894 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587578898 JK Annotated Anodyne Cn1c(-c2ccccc2)c([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578899 JK Annotated Mild CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587578900 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587578901 JK Annotated Anodyne Cn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578907 JK Annotated Mild Cn1c(-c2ccccc2)c([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578909 JK Annotated Mild Cn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578911 JK Annotated Mild Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587578918 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587578919 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587578920 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587578921 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587578922 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587578925 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587578927 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587578929 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000587579080 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000587579081 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000587579082 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000587579083 JK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587579201 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587579203 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587579206 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587579208 JK Annotated Anodyne Cc1cc2c(cc1-n1c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1C)OCCO2 ZINC000587579222 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1C)OCCO2 ZINC000587579227 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1C)OCCO2 ZINC000587579228 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1C)OCCO2 ZINC000587579229 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587579269 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587579270 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587579271 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587579272 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587579288 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587579290 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587579291 JK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587579292 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587579314 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587579316 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587579318 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587579321 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587579326 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587579329 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587579331 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587579333 JK Annotated Clean Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)n2)cc1 ZINC000587579346 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)n2)cc1 ZINC000587579347 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)n2)cc1 ZINC000587579348 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)n2)cc1 ZINC000587579349 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000587579350 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000587579351 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000587579352 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000587579353 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000587579358 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000587579359 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000587579360 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000587579361 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579382 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579383 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579384 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579385 JK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579394 JK Annotated Bother C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579395 JK Annotated Bother C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579396 JK Annotated Bother C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579397 JK Annotated Bother Nc1nc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(OCc3ccccc3)c2o1 ZINC000587579410 JK Annotated Anodyne Nc1nc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(OCc3ccccc3)c2o1 ZINC000587579411 JK Annotated Anodyne Nc1nc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(OCc3ccccc3)c2o1 ZINC000587579412 JK Annotated Anodyne Nc1nc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(OCc3ccccc3)c2o1 ZINC000587579413 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579456 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579457 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579458 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579459 JK Annotated Anodyne C[C@@H](NC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579460 JK Annotated Anodyne C[C@@H](NC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579461 JK Annotated Anodyne C[C@@H](NC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579462 JK Annotated Anodyne C[C@@H](NC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579463 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587579512 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587579513 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587579514 JK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587579515 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000587579591 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000587579601 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000587579603 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000587579604 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579681 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579682 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579683 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579684 JK Annotated Anodyne Cn1cc([C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2)c2ccccc21 ZINC000587579703 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000587579709 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000587579710 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000587579711 JK Annotated Anodyne Cn1cc([C@@H](C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2)c2ccccc21 ZINC000587579712 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000587579713 JK Annotated Anodyne Cn1cc([C@@H](C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2)c2ccccc21 ZINC000587579714 JK Annotated Anodyne Cn1cc([C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2)c2ccccc21 ZINC000587579715 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579772 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579773 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579774 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579775 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579792 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579793 JK Annotated Anodyne C[C@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579794 JK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)Oc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579795 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000587579891 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000587579894 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000587579896 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000587579898 JK Annotated Anodyne Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587579939 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587579943 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587579944 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587579945 JK Annotated Clean Cc1cccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)c1 ZINC000587579950 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)c1 ZINC000587579951 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)c1 ZINC000587579952 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)c1 ZINC000587579953 JK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580017 JK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580023 JK Annotated Anodyne C=Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1CCN(Cc1ccccc1)C2 ZINC000587580025 JK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580027 JK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580029 JK Annotated Anodyne C=Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1CCN(Cc1ccccc1)C2 ZINC000587580033 JK Annotated Anodyne C=Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1CCN(Cc1ccccc1)C2 ZINC000587580036 JK Annotated Anodyne C=Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1CCN(Cc1ccccc1)C2 ZINC000587580039 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587580098 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587580103 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587580106 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587580108 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587580309 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587580313 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587580314 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580315 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587580316 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580320 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580323 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580326 JK Annotated Anodyne COC(=O)c1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580334 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580336 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580337 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580340 JK Annotated Clean Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587580343 JK Annotated Clean Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587580349 JK Annotated Clean Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587580350 JK Annotated Clean Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587580351 JK Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580408 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580434 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580436 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580438 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587580446 JK Annotated Anodyne COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587580448 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587580451 JK Annotated Anodyne COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587580452 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc2ccccc12 ZINC000587580484 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc2ccccc12 ZINC000587580486 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc2ccccc12 ZINC000587580488 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc2ccccc12 ZINC000587580491 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580521 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580533 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580534 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580535 JK Annotated Clean O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587580552 JK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587580553 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587580554 JK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1 ZINC000587580555 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587580572 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587580573 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587580574 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587580575 JK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Nc1ccccc1 ZINC000587580600 JK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Nc1ccccc1 ZINC000587580601 JK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Nc1ccccc1 ZINC000587580602 JK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Nc1ccccc1 ZINC000587580603 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1 ZINC000587580657 JK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1 ZINC000587580658 JK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1 ZINC000587580659 JK Annotated Clean Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccccc1 ZINC000587580660 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587580668 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587580672 JK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587580674 JK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587580676 JK Annotated Clean CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580682 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580684 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580686 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580688 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587580695 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587580706 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587580709 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587580713 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587580742 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587580744 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587580748 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587580752 JK Annotated Mild Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587580805 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587580808 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587580810 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587580811 JK Annotated Clean Cc1ccc(-n2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cc(O)ccc32)cc1 ZINC000587580856 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cc(O)ccc32)cc1 ZINC000587580863 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cc(O)ccc32)cc1 ZINC000587580867 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cc(O)ccc32)cc1 ZINC000587580870 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3O2)c1N ZINC000587580942 JK Annotated Anodyne COc1cccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3O2)c1N ZINC000587580943 JK Annotated Anodyne COc1cccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3O2)c1N ZINC000587580944 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3O2)c1N ZINC000587580945 JK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587581070 JK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587581075 JK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587581077 JK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587581078 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)CC1 ZINC000587581309 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)CC1 ZINC000587581310 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)CC1 ZINC000587581311 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)CC1 ZINC000587581312 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581396 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581397 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581398 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581399 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581412 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581415 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581417 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581420 JK Annotated Anodyne CC[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581421 JK Annotated Anodyne CC[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581422 JK Annotated Anodyne CC[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581423 JK Annotated Anodyne CC[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581425 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581451 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581454 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581456 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581457 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587581470 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587581471 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587581472 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587581473 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581601 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581604 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581606 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581608 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581615 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581619 JK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581621 JK Annotated Anodyne C[C@]1(c2cccc(NC(=O)c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581623 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581631 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581632 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581633 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581634 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581778 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581779 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581780 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581781 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581802 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581803 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581804 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581805 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581967 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581971 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581973 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581974 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587582062 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587582063 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587582064 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587582065 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582106 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582107 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582108 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582109 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582146 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582147 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582148 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582149 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587582234 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587582236 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587582237 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587582239 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582307 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582309 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582312 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582314 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582384 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582385 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582386 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582387 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587582408 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587582409 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587582410 JK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587582411 JK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@]2(CC1(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582468 JK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@]2(CC1(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582469 JK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@@]2(CC1(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582470 JK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@@]2(CC1(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582471 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582500 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582501 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582502 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582503 JK Annotated Anodyne CN1[C@H](c2ccccc2)C[C@@]2(C[C@@H]1c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582692 JK Annotated Anodyne CN1[C@H](c2ccccc2)CC2(C[C@H]1c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582693 JK Annotated Anodyne CN1[C@H](c2ccccc2)CC2(C[C@H]1c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582694 JK Annotated Anodyne CN1[C@H](c2ccccc2)C[C@@]2(C[C@@H]1c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582695 JK Annotated Anodyne CC(C)(C)c1nn(Cc2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582820 JK Annotated Anodyne CC(C)(C)c1nn(Cc2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582821 JK Annotated Anodyne CC(C)(C)c1nn(Cc2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582822 JK Annotated Anodyne CC(C)(C)c1nn(Cc2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582823 JK Annotated Anodyne Cc1ccccc1-n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582832 JK Annotated Anodyne Cc1ccccc1-n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582833 JK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582834 JK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582835 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587582844 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587582845 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587582846 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587582847 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582952 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582953 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582954 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582955 JK Annotated Anodyne O=Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587582960 JK Annotated Anodyne O=Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587582961 JK Annotated Anodyne O=Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587582962 JK Annotated Anodyne O=Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587582963 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000587582964 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000587582965 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000587582966 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000587582967 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587582996 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587582997 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587582998 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587582999 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583114 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583115 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583116 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583117 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583196 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583197 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583198 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583199 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587583201 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587583204 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587583206 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587583208 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587583243 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587583244 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587583245 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587583246 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000587583360 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000587583361 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000587583362 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000587583363 JK Annotated Anodyne C[C@@H]1CCCN(CCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)C1 ZINC000587583498 JK Annotated Anodyne C[C@@H]1CCCN(CCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)C1 ZINC000587583500 JK Annotated Anodyne C[C@@H]1CCCN(CCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)C1 ZINC000587583503 JK Annotated Anodyne C[C@@H]1CCCN(CCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)C1 ZINC000587583504 JK Annotated Anodyne Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCC(C)CC1 ZINC000587583604 JK Annotated Anodyne Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCC(C)CC1 ZINC000587583606 JK Annotated Anodyne Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCC(C)CC1 ZINC000587583608 JK Annotated Anodyne Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCC(C)CC1 ZINC000587583610 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587583662 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587583663 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587583664 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587583665 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583714 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583715 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583716 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583717 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583766 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583767 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583768 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583769 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583802 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583803 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583804 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583805 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583990 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583991 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583992 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583993 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587583998 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587583999 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587584000 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587584001 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587584066 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587584067 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587584068 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587584069 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584086 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584087 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584088 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584089 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584601 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584602 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584603 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584604 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](c2ccccc2)C1 ZINC000587584615 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](c2ccccc2)C1 ZINC000587584616 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](c2ccccc2)C1 ZINC000587584617 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](c2ccccc2)C1 ZINC000587584618 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587584726 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587584730 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587584732 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587584735 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1N1CCCCC1 ZINC000587584738 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1N1CCCCC1 ZINC000587584739 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1N1CCCCC1 ZINC000587584740 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1N1CCCCC1 ZINC000587584745 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587584773 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587584775 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587584777 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587584779 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)CC1 ZINC000587584784 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)CC1 ZINC000587584786 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)CC1 ZINC000587584788 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)CC1 ZINC000587584790 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587585215 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc4ccccc4n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585220 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587585221 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc4ccccc4n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585222 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc4ccccc4n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585224 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587585225 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc4ccccc4n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585226 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585228 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587585229 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585232 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585236 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585237 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585238 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585240 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585242 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585247 JK Annotated Anodyne Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3c(=O)c2c1 ZINC000587585310 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3c(=O)c2c1 ZINC000587585311 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3c(=O)c2c1 ZINC000587585312 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3c(=O)c2c1 ZINC000587585313 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COc1cccc2c(O)nccc12)c1ccccc1 ZINC000587585356 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COc1cccc2c(O)nccc12)c1ccccc1 ZINC000587585357 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COc1cccc2c(O)nccc12)c1ccccc1 ZINC000587585358 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COc1cccc2c(O)nccc12)c1ccccc1 ZINC000587585359 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585372 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585374 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585375 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585377 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccccc1 ZINC000587585393 JK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccccc1 ZINC000587585396 JK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccccc1 ZINC000587585399 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccccc1 ZINC000587585401 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000587585517 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000587585518 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000587585519 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000587585520 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587585581 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587585582 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587585583 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587585584 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585609 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585610 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585611 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cn4ccccc4n3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585612 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585644 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585645 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585646 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585649 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(C#Cc3ccccc3)ccc12 ZINC000587585691 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(C#Cc3ccccc3)ccc12 ZINC000587585692 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(C#Cc3ccccc3)ccc12 ZINC000587585693 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(C#Cc3ccccc3)ccc12 ZINC000587585694 JK Annotated Mild Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587585825 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587585826 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587585827 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587585828 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585877 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585881 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585882 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585883 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCc2cccnc2)c1 ZINC000587585887 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCc2cccnc2)c1 ZINC000587585888 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCc2cccnc2)c1 ZINC000587585889 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCc2cccnc2)c1 ZINC000587585890 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000587585992 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000587585994 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000587585996 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000587585998 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(C3CCCCC3)cc12 ZINC000587586127 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(C3CCCCC3)cc12 ZINC000587586129 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(C3CCCCC3)cc12 ZINC000587586130 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(C3CCCCC3)cc12 ZINC000587586132 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccn1 ZINC000587586155 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccn1 ZINC000587586156 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccn1 ZINC000587586157 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccn1 ZINC000587586158 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587586206 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587586210 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587586214 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587586216 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587586238 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587586243 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587586247 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587586251 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586381 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586382 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586383 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586385 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586466 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586471 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586472 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586473 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587586498 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587586502 JK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586533 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586540 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586543 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586544 JK Annotated Bother COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586569 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586571 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586574 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586576 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587586591 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587586594 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587586596 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587586599 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586798 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586800 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586802 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586804 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587586812 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587586814 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587586816 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587586818 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3ccccc3c2)nc2ccccn12 ZINC000587586869 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3ccccc3c2)nc2ccccn12 ZINC000587586870 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3ccccc3c2)nc2ccccn12 ZINC000587586871 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3ccccc3c2)nc2ccccn12 ZINC000587586872 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586905 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586906 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586907 JK Annotated Anodyne O=Cc1nc2ccccc2cc1[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586908 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccncc1 ZINC000587586909 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccncc1 ZINC000587586910 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccncc1 ZINC000587586911 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccncc1 ZINC000587586912 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccnc1 ZINC000587586915 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccnc1 ZINC000587586916 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccnc1 ZINC000587586917 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccnc1 ZINC000587586918 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587000 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587002 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587004 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587006 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(OCc3ccccc3)cccc12 ZINC000587587153 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(OCc3ccccc3)cccc12 ZINC000587587154 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(OCc3ccccc3)cccc12 ZINC000587587156 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(OCc3ccccc3)cccc12 ZINC000587587157 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587587198 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587587201 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587587205 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587587208 JK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587587246 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587587249 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587587251 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587587252 JK Annotated Mild Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587269 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587270 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587274 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587278 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587431 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587432 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587433 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587435 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1CCc1ccncc1 ZINC000587587543 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587544 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587545 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587547 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587549 JK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1CCc1ccncc1 ZINC000587587552 JK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1CCc1ccncc1 ZINC000587587554 JK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1CCc1ccncc1 ZINC000587587557 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587606 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587608 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587611 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587614 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587587654 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587587655 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587587664 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587587666 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587685 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587686 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587688 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587689 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccnc1 ZINC000587587834 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccnc1 ZINC000587587836 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccnc1 ZINC000587587837 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccnc1 ZINC000587587839 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)CCCC3)nc2ncccn12 ZINC000587587949 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)CCCC3)nc2ncccn12 ZINC000587587950 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)CCCC3)nc2ncccn12 ZINC000587587951 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)CCCC3)nc2ncccn12 ZINC000587587952 JK Annotated Anodyne O=C(c1ccco1)c1cc2ccccc2nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588070 JK Annotated Anodyne O=C(c1ccco1)c1cc2ccccc2nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588071 JK Annotated Anodyne O=C(c1ccco1)c1cc2ccccc2nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588072 JK Annotated Anodyne O=C(c1ccco1)c1cc2ccccc2nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588074 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000587588140 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000587588141 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000587588143 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000587588145 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588148 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588149 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588150 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588151 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1N(C[C@@H]1CO1)c1ccccc12 ZINC000587588170 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1N(C[C@H]1CO1)c1ccccc12 ZINC000587588173 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1N(C[C@H]1CO1)c1ccccc12 ZINC000587588175 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1N(C[C@@H]1CO1)c1ccccc12 ZINC000587588178 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588327 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588328 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588329 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588330 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588331 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588332 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588333 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588334 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588416 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588417 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588418 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588419 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587588471 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587588474 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587588476 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587588478 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587588520 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587588522 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587588524 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587588525 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588642 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588645 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588647 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588648 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588649 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588651 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588653 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588654 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)c(C)c3c2c1 ZINC000587588751 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)c(C)c3c2c1 ZINC000587588754 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)c(C)c3c2c1 ZINC000587588756 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)c(C)c3c2c1 ZINC000587588758 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C3CCCC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587588759 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C3CCCC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587588761 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C3CCCC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587588763 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C3CCCC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587588764 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cn2ccccc2n1 ZINC000587588795 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cn2ccccc2n1 ZINC000587588799 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cn2ccccc2n1 ZINC000587588800 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cn2ccccc2n1 ZINC000587588801 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588840 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588841 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588843 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588845 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588895 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588896 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588897 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588898 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(C)noc1C ZINC000587588967 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(C)noc1C ZINC000587588968 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(C)noc1C ZINC000587588969 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(C)noc1C ZINC000587588970 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589007 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589009 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589011 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589013 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589039 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589041 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589043 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589045 JK Annotated Anodyne CN(C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587589054 JK Annotated Anodyne CN(C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587589055 JK Annotated Anodyne CN(C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587589057 JK Annotated Anodyne CN(C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587589058 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589101 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589103 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589105 JK Annotated Anodyne NC(=O)N1c2ccccc2C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589108 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589155 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589157 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589158 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589159 JK Annotated Anodyne O=C(Oc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2cccnc12)c1ccccc1 ZINC000587589225 JK Annotated Anodyne O=C(Oc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2cccnc12)c1ccccc1 ZINC000587589226 JK Annotated Anodyne O=C(Oc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2cccnc12)c1ccccc1 ZINC000587589227 JK Annotated Anodyne O=C(Oc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2cccnc12)c1ccccc1 ZINC000587589228 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3)nc12 ZINC000587589281 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3)nc12 ZINC000587589282 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3)nc12 ZINC000587589283 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3)nc12 ZINC000587589284 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587589285 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587589286 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587589287 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587589288 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587589314 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587589316 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587589318 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587589321 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000587589331 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000587589333 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000587589336 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000587589338 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589394 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589399 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589401 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589402 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589403 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589404 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589405 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589407 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589457 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589458 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589459 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589460 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589641 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589642 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589643 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589644 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589665 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589666 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589667 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589668 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587589733 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587589734 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587589735 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587589736 JK Annotated Anodyne C=CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587589750 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587589752 JK Annotated Mild C=CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587589754 JK Annotated Mild C=CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587589756 JK Annotated Mild COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1cccc(C)c1 ZINC000587589757 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589758 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1cccc(C)c1 ZINC000587589759 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1cccc(C)c1 ZINC000587589760 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1cccc(C)c1 ZINC000587589761 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589765 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589767 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587589768 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589769 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587589770 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587589772 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587589773 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587589794 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(C)cc1 ZINC000587589802 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587589803 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(C)cc1 ZINC000587589804 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(C)cc1 ZINC000587589805 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587589806 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(C)cc1 ZINC000587589807 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587589808 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)c1 ZINC000587589819 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)c1 ZINC000587589820 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)c1 ZINC000587589821 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)c1 ZINC000587589822 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587589845 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587589846 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587589847 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587589848 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587590294 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587590295 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587590296 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587590297 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(OCc3ccccc3)cccc12 ZINC000587590311 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(OCc3ccccc3)cccc12 ZINC000587590312 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(OCc3ccccc3)cccc12 ZINC000587590313 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(OCc3ccccc3)cccc12 ZINC000587590314 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590371 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590372 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590373 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590374 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590474 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590485 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590486 JK Annotated Clean CC(C)(C)OC(=O)N1[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590487 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590489 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590491 JK Annotated Clean CC(C)(C)OC(=O)N1[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590492 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590494 JK Annotated Clean CC(C)(C)OC(=O)N1[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590495 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590496 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590497 JK Annotated Clean CC(C)(C)OC(=O)N1[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590498 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000587590499 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC12CCCCC2 ZINC000587590500 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000587590501 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590502 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000587590503 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590504 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590505 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000587590506 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590507 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590508 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590510 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590523 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590528 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590530 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c(-c2ccccc2)cc2ccccn12 ZINC000587590537 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c(-c2ccccc2)cc2ccccn12 ZINC000587590538 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c(-c2ccccc2)cc2ccccn12 ZINC000587590539 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c(-c2ccccc2)cc2ccccn12 ZINC000587590540 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590565 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590566 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590568 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590571 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587590594 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590596 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590597 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587590598 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590600 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587590601 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590602 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587590603 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc2ccccc2c1 ZINC000587590604 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590605 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc2ccccc2c1 ZINC000587590606 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc2ccccc2c1 ZINC000587590607 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc2ccccc2c1 ZINC000587590609 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590611 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590614 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590616 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590617 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590619 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590621 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590624 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590690 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587590693 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590695 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590697 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587590698 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587590700 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590701 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587590703 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587590747 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587590750 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587590752 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587590755 JK Annotated Anodyne C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OC(C)C ZINC000587590775 JK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OC(C)C ZINC000587590776 JK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OC(C)C ZINC000587590777 JK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OC(C)C ZINC000587590778 JK Annotated Mild COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587590962 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(C)cc1 ZINC000587590969 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587590971 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(C)cc1 ZINC000587590972 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(C)cc1 ZINC000587590973 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587590975 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(C)cc1 ZINC000587590976 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587590978 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587590980 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587590985 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587590987 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587590989 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591033 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12 ZINC000587591035 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591036 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591037 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591038 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12 ZINC000587591040 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12 ZINC000587591043 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12 ZINC000587591045 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591079 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591086 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591090 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591093 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587591110 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587591120 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587591124 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587591127 JK Annotated Anodyne CCCCCCCCCCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591165 JK Annotated Mild CCCCCCCCCCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591178 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591180 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591182 JK Annotated Mild COc1cccc([C@@]2(c3c[nH]c4ncccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591203 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591206 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591209 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591211 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587591213 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587591218 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587591220 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587591221 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591268 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591269 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591270 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591271 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591272 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591273 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591274 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591275 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587591276 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587591277 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587591278 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587591279 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccc3ccccc23)c1 ZINC000587591355 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccc3ccccc23)c1 ZINC000587591357 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccc3ccccc23)c1 ZINC000587591359 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccc3ccccc23)c1 ZINC000587591362 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587591442 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587591457 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587591461 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587591463 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3c(O)c([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc1c32 ZINC000587591491 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3c(O)c([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc1c32 ZINC000587591495 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3c(O)c([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc1c32 ZINC000587591500 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3c(O)c([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc1c32 ZINC000587591505 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\N3CCC(CC3)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587591510 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2/N3CCC(CC3)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587591515 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2/N3CCC(CC3)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587591518 JK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\N3CCC(CC3)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587591523 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587591612 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587591615 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587591618 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587591620 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591630 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591653 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587591674 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587591675 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591704 JK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591706 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587591728 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1 ZINC000587591742 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1 ZINC000587591744 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591745 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1 ZINC000587591746 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587591747 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591748 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1 ZINC000587591749 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587591750 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591751 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587591753 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591754 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591764 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591773 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591776 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591779 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591861 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591864 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591868 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591870 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587591884 JK Annotated Anodyne CC1(C)CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587591887 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587591891 JK Annotated Anodyne CC1(C)CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587591895 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CCC1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591924 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CCC1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591928 JK Annotated Anodyne C[C@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591963 JK Annotated Anodyne C[C@@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591964 JK Annotated Anodyne C[C@@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591969 JK Annotated Anodyne C[C@]1(c2cccc(N3Cc4ccccc4C3=N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591973 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3cc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc1c32 ZINC000587591987 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3cc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc1c32 ZINC000587591998 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3cc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc1c32 ZINC000587592001 JK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3cc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc1c32 ZINC000587592004 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(-c3ccccc3)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592019 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(-c3ccccc3)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592024 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587592168 JK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587592169 JK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587592170 JK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587592172 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587592222 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587592223 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587592225 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587592226 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592243 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592246 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592249 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592250 JK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592287 JK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592289 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(-c3ccccc3)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592296 JK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(-c3ccccc3)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592297 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587592321 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587592323 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587592326 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587592329 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587592418 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587592420 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587592422 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587592424 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587592478 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587592480 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587592483 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587592486 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC000587592552 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC1(CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC000587592554 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592557 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592588 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592589 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592590 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587592631 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587592633 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587592635 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587592637 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCCN1Cc1ccccc1)CC2 ZINC000587592676 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCCN1Cc1ccccc1)CC2 ZINC000587592677 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587592678 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587592679 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587592680 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587592681 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587592686 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587592687 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587592688 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587592690 JK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592707 JK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592708 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587592763 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587592764 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587592765 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587592766 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592775 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592776 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592777 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592778 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592779 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592780 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592781 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592782 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592841 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592842 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592843 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587592844 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592955 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592956 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592957 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592958 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC12CCC1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593045 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC12CCC1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593047 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587593090 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587593093 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587593095 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587593097 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593147 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2 ZINC000587593154 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593155 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2 ZINC000587593156 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593157 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2 ZINC000587593158 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593159 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2 ZINC000587593160 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587593171 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587593172 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587593173 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587593174 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000587593201 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000587593202 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000587593203 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000587593204 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1 ZINC000587593205 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1 ZINC000587593206 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1 ZINC000587593207 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCc1ccccc1 ZINC000587593208 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593239 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593241 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593242 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593243 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593253 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593255 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593257 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593258 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593304 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593305 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593306 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593307 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccccc1 ZINC000587593326 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccccc1 ZINC000587593328 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccccc1 ZINC000587593330 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccccc1 ZINC000587593332 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593334 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593336 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593338 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593340 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1 ZINC000587593363 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1 ZINC000587593364 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1 ZINC000587593365 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1 ZINC000587593366 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593371 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593372 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593373 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593374 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593592 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593593 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593596 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593597 JK Annotated Anodyne O=C(O)c1ccccc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593610 JK Annotated Anodyne O=C(O)c1ccccc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593612 JK Annotated Anodyne O=C(O)c1ccccc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593613 JK Annotated Anodyne O=C(O)c1ccccc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593614 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCc2ccccc2)c1OC ZINC000587593639 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCc2ccccc2)c1OC ZINC000587593640 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCc2ccccc2)c1OC ZINC000587593642 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCc2ccccc2)c1OC ZINC000587593643 JK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587593659 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593660 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593661 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593662 JK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587593664 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593666 JK Annotated Anodyne COc1cccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587593704 JK Annotated Anodyne COc1cccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587593707 JK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587593709 JK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587593712 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587593815 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587593817 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587593819 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1 ZINC000587593821 JK Annotated Anodyne CCCCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587593859 JK Annotated Mild CCCCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587593861 JK Annotated Mild CCCCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587593863 JK Annotated Mild CCCCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587593865 JK Annotated Mild CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587594060 JK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCCCC1 ZINC000587594062 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587594090 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587594092 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587594093 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587594096 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587594148 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587594153 JK Annotated Mild Cc1cccc(COc2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C)c1 ZINC000587594200 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C)c1 ZINC000587594201 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C)c1 ZINC000587594203 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C)c1 ZINC000587594204 JK Annotated Anodyne C=CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587594385 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587594386 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587594387 JK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587594388 JK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587594390 JK Annotated Mild C=CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587594391 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c2ccccc2c1 ZINC000587594469 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c2ccccc2c1 ZINC000587594471 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c2ccccc2c1 ZINC000587594474 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c2ccccc2c1 ZINC000587594477 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000587594489 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000587594492 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000587594494 JK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587594496 JK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587594498 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000587594499 JK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587594500 JK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587594502 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 ZINC000587594559 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 ZINC000587594562 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 ZINC000587594565 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 ZINC000587594568 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1C ZINC000587594569 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1C ZINC000587594572 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccccc1C ZINC000587594573 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccccc1C ZINC000587594574 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594582 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594588 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594589 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594591 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594593 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594601 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594606 JK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594610 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594666 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594667 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594670 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594672 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587594693 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587594694 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587594695 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587594696 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594701 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594702 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594703 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594704 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594755 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594756 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594757 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594758 JK Annotated Anodyne COc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587594827 JK Annotated Anodyne COc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587594829 JK Annotated Anodyne COc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587594831 JK Annotated Anodyne COc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587594833 JK Annotated Anodyne COc1cccc(COc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2OC)c1 ZINC000587594839 JK Annotated Anodyne COc1cccc(COc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2OC)c1 ZINC000587594841 JK Annotated Anodyne COc1cccc(COc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2OC)c1 ZINC000587594843 JK Annotated Anodyne COc1cccc(COc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2OC)c1 ZINC000587594845 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594869 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594871 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594873 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594875 JK Annotated Anodyne O=C(O)c1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587594877 JK Annotated Anodyne O=C(O)c1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587594879 JK Annotated Anodyne O=C(O)c1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587594880 JK Annotated Anodyne O=C(O)c1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587594881 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594901 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594903 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594904 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594906 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594958 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594961 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594963 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594965 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595063 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595067 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595069 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595072 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595182 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595183 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595184 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595185 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595194 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595195 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595196 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595197 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595226 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595227 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595228 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595229 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(C)c1 ZINC000587595250 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(C)c1 ZINC000587595251 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(C)c1 ZINC000587595252 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(C)c1 ZINC000587595253 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587595461 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587595463 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587595465 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587595466 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C1 ZINC000587595529 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C1 ZINC000587595530 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C1 ZINC000587595533 JK Annotated Anodyne O=C(OCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(O)cc1 ZINC000587595534 JK Annotated Anodyne O=C(OCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(O)cc1 ZINC000587595535 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C1 ZINC000587595536 JK Annotated Anodyne O=C(OCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(O)cc1 ZINC000587595537 JK Annotated Anodyne O=C(OCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(O)cc1 ZINC000587595538 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(C)cc1 ZINC000587595581 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(C)cc1 ZINC000587595583 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(C)cc1 ZINC000587595585 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(C)cc1 ZINC000587595586 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587595587 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587595589 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587595592 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587595594 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587595717 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587595718 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 ZINC000587595723 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 ZINC000587595724 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 ZINC000587595725 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 ZINC000587595726 JK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587595731 JK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587595732 JK Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587595733 JK Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000587595734 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595751 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595752 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595753 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595754 JK Annotated Anodyne O=C(O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595795 JK Annotated Anodyne O=C(O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595796 JK Annotated Anodyne O=C(O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595797 JK Annotated Anodyne O=C(O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587595798 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587595871 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587595872 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587595873 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587595874 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587595952 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587595955 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587596024 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587596027 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596045 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596050 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596052 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596054 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]2c1ccccc1OCc1ccccc1 ZINC000587596118 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]2c1ccccc1OCc1ccccc1 ZINC000587596127 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]2c1ccccc1OCc1ccccc1 ZINC000587596128 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]2c1ccccc1OCc1ccccc1 ZINC000587596130 JK Annotated Anodyne C[C@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596140 JK Annotated Anodyne C[C@@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596141 JK Annotated Anodyne C[C@@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596142 JK Annotated Anodyne C[C@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596143 JK Annotated Anodyne O=C(O)[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587596287 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 ZINC000587596288 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 ZINC000587596289 JK Annotated Anodyne O=C(O)[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587596290 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596361 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596364 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596366 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596367 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596428 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596430 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596432 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596434 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596535 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596538 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596540 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596542 JK Annotated Anodyne C[C@]1(c2ccc(OCc3cccc4ccccc34)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596571 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3cccc4ccccc34)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596574 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3cccc4ccccc34)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596576 JK Annotated Anodyne C[C@]1(c2ccc(OCc3cccc4ccccc34)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596579 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596581 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596584 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587596622 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587596625 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587596626 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587596628 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCCCC3)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596685 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCCCC3)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596687 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCCCC3)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596689 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCCCC3)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596690 JK Annotated Anodyne O=C(O)[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1ccccc1 ZINC000587596712 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O[C@@H](C(=O)O)c2ccccc2)c1 ZINC000587596713 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O[C@@H](C(=O)O)c2ccccc2)c1 ZINC000587596714 JK Annotated Anodyne O=C(O)[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1ccccc1 ZINC000587596715 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596716 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596717 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596718 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596719 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596752 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596753 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596754 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596755 JK Annotated Mild CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596812 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596813 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596814 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596815 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596837 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596838 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587596904 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596905 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587596906 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587596907 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587596908 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596909 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596911 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596913 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596950 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596951 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596952 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596953 JK Annotated Anodyne O=C(CCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)OCc1ccccc1 ZINC000587596970 JK Annotated Anodyne O=C(CCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)OCc1ccccc1 ZINC000587596971 JK Annotated Anodyne O=C(CCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)OCc1ccccc1 ZINC000587596972 JK Annotated Anodyne O=C(CCc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)OCc1ccccc1 ZINC000587596973 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCN1CCOCC1)c1ccc2ccccc2c1 ZINC000587597081 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCOCC1)c1ccc2ccccc2c1 ZINC000587597093 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCOCC1)c1ccc2ccccc2c1 ZINC000587597095 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCN1CCOCC1)c1ccc2ccccc2c1 ZINC000587597096 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 ZINC000587597098 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 ZINC000587597099 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 ZINC000587597100 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 ZINC000587597102 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587597165 JK Annotated Anodyne O=C1CCc2cc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587597166 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587597167 JK Annotated Anodyne O=C1CCc2cc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587597168 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C ZINC000587597179 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C ZINC000587597180 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C ZINC000587597181 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1C ZINC000587597183 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597293 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597294 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597295 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597296 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597337 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597338 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597339 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597340 JK Annotated Anodyne COc1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587597384 JK Annotated Anodyne COc1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587597385 JK Annotated Anodyne COc1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587597387 JK Annotated Anodyne COc1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587597389 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC/C=C\c1ccccc1 ZINC000587597399 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC/C=C\c1ccccc1 ZINC000587597400 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC/C=C/c1ccccc1 ZINC000587597402 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC/C=C/c1ccccc1 ZINC000587597404 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587597609 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587597613 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000587597614 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587597617 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000587597619 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587597620 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000587597622 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000587597625 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C1 ZINC000587597630 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C1 ZINC000587597649 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C1 ZINC000587597652 JK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C1 ZINC000587597655 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587597690 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587597693 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587597697 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587597699 JK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597805 JK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597808 JK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587597810 JK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587597815 JK Annotated Anodyne C[C@]1(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597866 JK Annotated Anodyne C[C@]1(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597868 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCCc2ccccc2)c1 ZINC000587597870 JK Annotated Anodyne C[C@]1(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597871 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCCc2ccccc2)c1 ZINC000587597872 JK Annotated Anodyne C[C@]1(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597874 JK Annotated Anodyne O=C(CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587597875 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCCc2ccccc2)c1 ZINC000587597876 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCCc2ccccc2)c1 ZINC000587597879 JK Annotated Anodyne O=C(CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587597890 JK Annotated Anodyne O=C(CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587597895 JK Annotated Anodyne O=C(CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587597899 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587597955 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587597959 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587597963 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(C)c1 ZINC000587597966 JK Annotated Anodyne C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OCCC ZINC000587597993 JK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OCCC ZINC000587597994 JK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OCCC ZINC000587597998 JK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OCCC ZINC000587598001 JK Annotated Mild C[C@@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598005 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598012 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598016 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598019 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598078 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598079 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598081 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598082 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCC3)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598109 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCC3)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598111 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC13CCC3)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598113 JK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC13CCC3)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598116 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587598119 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587598122 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587598126 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587598129 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598149 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598150 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598152 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598153 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598161 JK Annotated Mild CCCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598163 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598165 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598166 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587598207 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587598208 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587598313 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587598316 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587598318 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587598322 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598439 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598442 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598443 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598446 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587598448 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587598456 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587598458 JK Annotated Anodyne O=C(Oc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587598460 JK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598501 JK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598504 JK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598505 JK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598507 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000587598649 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000587598650 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000587598651 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000587598652 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]1CN(Cc3ccccc3)C[C@@H]12 ZINC000587598677 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]1CN(Cc3ccccc3)C[C@H]12 ZINC000587598678 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]1CN(Cc3ccccc3)C[C@H]12 ZINC000587598679 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]1CN(Cc3ccccc3)C[C@@H]12 ZINC000587598680 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598705 JK Annotated Clean C[C@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598706 JK Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598707 JK Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCCCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598708 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC21CN(C(c2ccccc2)c2ccccc2)C1 ZINC000587598709 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC21CN(C(c2ccccc2)c2ccccc2)C1 ZINC000587598710 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC21CN(C(c2ccccc2)c2ccccc2)C1 ZINC000587598711 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC21CN(C(c2ccccc2)c2ccccc2)C1 ZINC000587598712 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598727 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598728 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598729 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598730 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598792 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598793 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598794 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598795 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598836 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598843 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598845 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598846 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598883 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598885 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598886 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598887 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599011 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599013 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587599015 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587599016 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587599018 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587599020 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599041 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599042 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599043 JK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599044 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CCC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587599059 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CCC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587599060 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CCC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587599061 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CCC[C@H](C2)N1C(=O)OCc1ccccc1 ZINC000587599062 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599067 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599068 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599069 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599070 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587599095 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587599096 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 ZINC000587599097 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 ZINC000587599098 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 ZINC000587599099 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 ZINC000587599100 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599129 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599130 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599131 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599132 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599166 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599168 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599195 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599197 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599199 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599200 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587599277 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587599278 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587599279 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587599280 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599297 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599298 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599299 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599300 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599358 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599360 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599363 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599365 JK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599436 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599442 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599444 JK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599446 JK Annotated Mild CCOc1cc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599447 JK Annotated Anodyne CCOc1cc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599450 JK Annotated Anodyne CCOc1cc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599452 JK Annotated Anodyne CCOc1cc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599454 JK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599468 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599470 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599472 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599473 JK Annotated Mild COc1ccc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587599475 JK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587599477 JK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587599479 JK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587599482 JK Annotated Anodyne C#CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587599554 JK Annotated Mild C#CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587599555 JK Annotated Mild C#CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587599557 JK Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587599559 JK Annotated Mild CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599646 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599647 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599648 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 ZINC000587599649 JK Annotated Anodyne C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCCCC ZINC000587599692 JK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCCCC ZINC000587599693 JK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCCCC ZINC000587599694 JK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCCCC ZINC000587599696 JK Annotated Mild O=Cc1ccc(OCCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599719 JK Annotated Anodyne O=Cc1ccc(OCCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599720 JK Annotated Anodyne O=Cc1ccc(OCCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599721 JK Annotated Anodyne O=Cc1ccc(OCCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599722 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599739 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599740 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599741 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599742 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599855 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599856 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599857 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587599858 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccccc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2 ZINC000587599867 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccccc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2 ZINC000587599868 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccccc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2 ZINC000587599869 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccccc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2 ZINC000587599870 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599871 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599872 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599873 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599874 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599879 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599880 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599881 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599882 JK Annotated Anodyne CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599923 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599924 JK Annotated Mild CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599925 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599926 JK Annotated Mild COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600041 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600042 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600043 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600044 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600045 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600046 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600047 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600048 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600107 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600108 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600109 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600110 JK Annotated Anodyne CCCCCCCCC1(CCCCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600131 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600132 JK Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)OC(C)(C)C ZINC000587600133 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)OC(C)(C)C ZINC000587600134 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)OC(C)(C)C ZINC000587600135 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)OC(C)(C)C ZINC000587600136 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600243 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600245 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600246 JK Annotated Mild CCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600247 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600249 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600252 JK Annotated Mild CCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600253 JK Annotated Mild CCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600254 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600255 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600256 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600258 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600260 JK Annotated Mild CCCCCCCCCC1(CCCCCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600272 JK Annotated Mild CCCCCCCCCC1(CCCCCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600273 JK Annotated Mild C[C@@]1(c2ccccc2OC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600292 JK Annotated Anodyne C[C@]1(c2ccccc2OC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600296 JK Annotated Anodyne C[C@]1(c2ccccc2OC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600297 JK Annotated Anodyne C[C@@]1(c2ccccc2OC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600298 JK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587600312 JK Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587600313 JK Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587600314 JK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587600315 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600328 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600329 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600330 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600331 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587600469 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587600470 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587600472 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587600473 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000587600548 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000587600555 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000587600558 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000587600561 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc1-2 ZINC000587600564 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc1-2 ZINC000587600567 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1-2 ZINC000587600570 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1-2 ZINC000587600572 JK Annotated Anodyne O=C(CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587600666 JK Annotated Anodyne O=C(CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587600668 JK Annotated Anodyne O=C(CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587600670 JK Annotated Anodyne O=C(CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587600672 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587600742 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587600744 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600745 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587600746 JK Annotated Anodyne CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600747 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587600748 JK Annotated Anodyne CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600749 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600750 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CCC2=O)C[C@]1(CC4)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600799 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CCC2=O)C[C@@]1(CC4)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600802 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CCC2=O)C[C@@]1(CC4)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600805 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CCC2=O)C[C@]1(CC4)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600809 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601018 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601020 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601022 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601023 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601096 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601097 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587601122 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587601123 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000587601148 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000587601149 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000587601150 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000587601151 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601156 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601157 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601158 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601159 JK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601172 JK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601173 JK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601174 JK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601175 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CCc2ccccc2)cc1 ZINC000587601201 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CCc2ccccc2)cc1 ZINC000587601212 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CCc2ccccc2)cc1 ZINC000587601216 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CCc2ccccc2)cc1 ZINC000587601219 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601256 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601260 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601262 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601264 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601282 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601284 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601286 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601289 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000587601332 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000587601334 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000587601337 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000587601339 JK Annotated Anodyne O=C(CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587601362 JK Annotated Anodyne O=C(CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587601364 JK Annotated Anodyne O=C(CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587601491 JK Annotated Anodyne O=C(CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587601492 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587601493 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587601494 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587601495 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587601496 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601581 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601583 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601584 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601585 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601586 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601588 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601590 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601592 JK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601601 JK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601611 JK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601612 JK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601615 JK Annotated Mild O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc3ccccc3c21 ZINC000587601622 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc3ccccc3c21 ZINC000587601633 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc3ccccc3c21 ZINC000587601635 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc3ccccc3c21 ZINC000587601637 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601641 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601643 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601645 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601647 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587601648 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587601649 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@]4(CC[C@]3(C)[C@H]1CC2)Oc1ccccc1C(=O)[C@H]4C(=O)c1ccco1 ZINC000587601690 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@]4(CC[C@]3(C)[C@H]1CC2)Oc1ccccc1C(=O)[C@H]4C(=O)c1ccco1 ZINC000587601691 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@]4(CC[C@]3(C)[C@H]1CC2)Oc1ccccc1C(=O)[C@@H]4C(=O)c1ccco1 ZINC000587601692 JK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@]4(CC[C@]3(C)[C@H]1CC2)Oc1ccccc1C(=O)[C@@H]4C(=O)c1ccco1 ZINC000587601693 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587601710 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587601711 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587601712 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587601713 JK Annotated Anodyne C[C@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601794 JK Annotated Clean C[C@@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601795 JK Annotated Clean C[C@@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601796 JK Annotated Clean C[C@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601797 JK Annotated Clean COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587601808 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587601809 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1OC ZINC000587601825 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1OC ZINC000587601827 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1OC ZINC000587601829 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1OC ZINC000587601831 JK Annotated Anodyne COc1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1C=O ZINC000587601845 JK Annotated Anodyne COc1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1C=O ZINC000587601847 JK Annotated Anodyne COc1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1C=O ZINC000587601849 JK Annotated Anodyne COc1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1C=O ZINC000587601851 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC(=O)CC4 ZINC000587601860 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC(=O)CC4 ZINC000587601862 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC(=O)CC4 ZINC000587601863 JK Annotated Anodyne C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC(=O)CC4 ZINC000587601864 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587601887 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587601888 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587601889 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587601890 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601919 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601920 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601921 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601922 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601939 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601941 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(Oc3ccccc3)cc12 ZINC000587601942 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(Oc3ccccc3)cc12 ZINC000587601944 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(Oc3ccccc3)cc12 ZINC000587601945 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(Oc3ccccc3)cc12 ZINC000587601947 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587601985 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587601987 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602050 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602051 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602052 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602053 JK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587602062 JK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587602063 JK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587602064 JK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587602065 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587602108 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587602109 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602122 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602123 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602124 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602125 JK Annotated Mild CCCCc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602242 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602243 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602244 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602245 JK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602280 JK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602281 JK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602282 JK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602283 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602414 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602415 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602416 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602417 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602430 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602431 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602432 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602433 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602481 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602482 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602484 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602486 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C[C@@H](C)C2(C)C ZINC000587602647 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C[C@H](C)C2(C)C ZINC000587602650 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C[C@@H](C)C2(C)C ZINC000587602652 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C[C@H](C)C2(C)C ZINC000587602654 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587602747 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587602749 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587602750 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587602752 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602780 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602781 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602782 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602783 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602821 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602822 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602823 JK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602824 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602826 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602832 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602835 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602837 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602891 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602898 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602903 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587602907 JK Annotated Anodyne O=C(O)Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587603008 JK Annotated Anodyne O=C(O)Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587603011 JK Annotated Anodyne O=C(O)Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587603014 JK Annotated Anodyne O=C(O)Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587603016 JK Annotated Anodyne O=C(O)Cc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587603078 JK Annotated Anodyne O=C(O)Cc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587603082 JK Annotated Anodyne O=C(O)Cc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587603084 JK Annotated Anodyne O=C(O)Cc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587603086 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603112 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603113 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603115 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603116 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CCc1ccccc1)CCc1ccccc1 ZINC000587603195 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CCc1ccccc1)CCc1ccccc1 ZINC000587603196 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603350 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603351 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603352 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603353 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603358 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603361 JK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603362 JK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603363 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587603381 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587603382 JK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603427 JK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603428 JK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603429 JK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603430 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603485 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603486 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603487 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603489 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)[C@@H](C)C2(C)C ZINC000587603490 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)[C@@H](C)C2(C)C ZINC000587603492 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)[C@H](C)C2(C)C ZINC000587603493 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)[C@H](C)C2(C)C ZINC000587603494 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603520 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603521 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587603546 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587603547 JK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603566 JK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603567 JK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603568 JK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603569 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603576 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603577 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603578 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603579 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603771 JK Annotated Anodyne C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603774 JK Annotated Bother C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603775 JK Annotated Bother C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603776 JK Annotated Bother C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603777 JK Annotated Bother O=C(O)CC[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603779 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603780 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603782 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603815 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603818 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603821 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603823 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604084 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604085 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604086 JK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604087 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587604090 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587604091 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3ccccc3cc21 ZINC000587604092 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3ccccc3cc21 ZINC000587604093 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3ccccc3cc21 ZINC000587604094 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3ccccc3cc21 ZINC000587604095 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587604195 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587604196 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587604197 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587604198 JK Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604213 JK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604216 JK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604219 JK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604221 JK Annotated Mild C[C@@H]1CCCCCCCCCCCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604308 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604309 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604310 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604311 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 ZINC000587604316 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 ZINC000587604317 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 ZINC000587604318 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 ZINC000587604319 JK Annotated Bother CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587604336 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587604337 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587604338 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587604339 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604351 JK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604352 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604353 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604354 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000587604415 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000587604416 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000587604417 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000587604418 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587604448 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587604449 JK Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1ccc1ccccc21 ZINC000587604492 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1ccc1ccccc21 ZINC000587604493 JK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1ccc1ccccc21 ZINC000587604494 JK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1ccc1ccccc21 ZINC000587604495 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604508 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604509 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604510 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604511 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604512 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604513 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604514 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604515 JK Annotated Mild Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604516 JK Annotated Anodyne Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604517 JK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604518 JK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604519 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)CCC2(C)C ZINC000587604625 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)CCC2(C)C ZINC000587604626 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)CCC2(C)C ZINC000587604627 JK Annotated Anodyne CC(C)(C)c1cc2c(c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)CCC2(C)C ZINC000587604628 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587604686 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H](c1ccccc1)CCC[C@H]2c1ccccc1 ZINC000587604687 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587604688 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587604689 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604708 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604709 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604710 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604711 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000587604773 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000587604774 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000587604775 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000587604776 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000587604821 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000587604822 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000587604823 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000587604824 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604833 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604834 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604835 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604836 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604865 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604866 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604867 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604868 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC ZINC000587604915 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC ZINC000587604916 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC ZINC000587604917 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC ZINC000587604918 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1ccccn1)c1ccc2ccccc2c1 ZINC000587604984 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccccn1)c1ccc2ccccc2c1 ZINC000587604987 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccccn1)c1ccc2ccccc2c1 ZINC000587604989 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1ccccn1)c1ccc2ccccc2c1 ZINC000587604991 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604996 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604999 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605001 JK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605003 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc3c(cc12)-c1ccccc1CC3 ZINC000587605036 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc3c(cc12)-c1ccccc1CC3 ZINC000587605039 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cc3c(cc12)-c1ccccc1CC3 ZINC000587605041 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc3c(cc12)-c1ccccc1CC3 ZINC000587605044 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000587605045 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000587605047 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000587605050 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000587605052 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605097 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605098 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605099 JK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605100 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605150 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605152 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605154 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605156 JK Annotated Anodyne CC(C)(C)[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605360 JK Annotated Anodyne CC(C)(C)[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605362 JK Annotated Anodyne CC(C)(C)[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605364 JK Annotated Anodyne CC(C)(C)[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605365 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587605414 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587605423 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587605427 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587605429 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000587605493 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000587605494 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000587605495 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000587605496 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605497 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605502 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605503 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605504 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605547 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605548 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605549 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605550 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587605579 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587605580 JK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587605581 JK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587605582 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605583 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605584 JK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605585 JK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605586 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000587605678 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000587605683 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000587605685 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000587605686 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587605719 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587605720 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587605722 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587605724 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587605729 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587605730 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587605733 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587605736 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587605800 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587605803 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587605806 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587605810 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C ZINC000587605827 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C ZINC000587605831 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C ZINC000587605833 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C ZINC000587605834 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605871 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605874 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605876 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605878 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605999 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606000 JK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606005 JK Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606006 JK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606007 JK Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606008 JK Annotated Unstable CCS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587606033 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587606034 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587606035 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587606036 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(=O)(=O)CC2CCCC2)c1 ZINC000587606071 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(=O)(=O)CC2CCCC2)c1 ZINC000587606072 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(=O)(=O)CC2CCCC2)c1 ZINC000587606073 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(=O)(=O)CC2CCCC2)c1 ZINC000587606074 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc2c(c1)OCO2 ZINC000587606130 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc2c(c1)OCO2 ZINC000587606131 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc2c(c1)OCO2 ZINC000587606132 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc2c(c1)OCO2 ZINC000587606133 JK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587606162 JK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587606163 JK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587606164 JK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587606165 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606212 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606213 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606267 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606268 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606270 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606272 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(=O)(=O)CC2CCCCC2)c1 ZINC000587606287 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(=O)(=O)CC2CCCCC2)c1 ZINC000587606288 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(=O)(=O)CC2CCCCC2)c1 ZINC000587606289 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(=O)(=O)CC2CCCCC2)c1 ZINC000587606290 JK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606304 JK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606307 JK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606308 JK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606309 JK Annotated Anodyne CCCCCCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606388 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606389 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606390 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606391 JK Annotated Mild COc1cc(C2CCOCC2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587606430 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587606431 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587606432 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587606433 JK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606442 JK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606443 JK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606444 JK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606445 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3O2)cc1OC ZINC000587606446 JK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3O2)cc1OC ZINC000587606447 JK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3O2)cc1OC ZINC000587606448 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3O2)cc1OC ZINC000587606449 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)CO1 ZINC000587606458 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)CO1 ZINC000587606459 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)CO1 ZINC000587606460 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)CO1 ZINC000587606461 JK Annotated Mild Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606591 JK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606592 JK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606593 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606594 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587606733 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587606734 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587606735 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587606736 JK Annotated Anodyne O=C(O)c1ccccc1C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606759 JK Annotated Anodyne O=C(O)c1ccccc1C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606760 JK Annotated Anodyne O=C(O)c1ccccc1C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606761 JK Annotated Anodyne O=C(O)c1ccccc1C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606762 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587606797 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587606798 JK Annotated Anodyne CC1=C(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587606799 JK Annotated Anodyne CC1=C(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587606800 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606882 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606885 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587606975 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587606976 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587606977 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587606978 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607075 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607076 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12 ZINC000587607101 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12 ZINC000587607102 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12 ZINC000587607103 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12 ZINC000587607104 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1c2ccc2ccccc12 ZINC000587607196 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1c2ccc2ccccc12 ZINC000587607201 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1c2ccc2ccccc12 ZINC000587607202 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1c2ccc2ccccc12 ZINC000587607203 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587607208 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587607220 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587607222 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(c1ccc(O)cc1)=CO2 ZINC000587607223 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607244 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607245 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607247 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607249 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)CC2CCCCC2)cc1 ZINC000587607267 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)CC2CCCCC2)cc1 ZINC000587607268 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)CC2CCCCC2)cc1 ZINC000587607269 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)CC2CCCCC2)cc1 ZINC000587607270 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2cc(O)ccc2c1 ZINC000587607321 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2cc(O)ccc2c1 ZINC000587607323 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2cc(O)ccc2c1 ZINC000587607324 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2cc(O)ccc2c1 ZINC000587607325 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607404 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607434 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607439 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607443 JK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607445 JK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607453 JK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607454 JK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607459 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587607533 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587607539 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587607542 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587607544 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 ZINC000587607551 JK Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 ZINC000587607553 JK Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 ZINC000587607555 JK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 ZINC000587607556 JK Annotated Unstable COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607587 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607588 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607589 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607590 JK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587607763 JK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587607767 JK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587607769 JK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587607771 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587607994 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587607999 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587608002 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587608004 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608010 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608012 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608013 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608014 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608042 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608044 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608047 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608048 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608053 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608056 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608057 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608059 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587608086 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587608087 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587608088 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587608089 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608102 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608103 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608104 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608105 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000587608124 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000587608125 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000587608126 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000587608127 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587608286 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587608288 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587608289 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587608291 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](c1ccccc1)c1ccc(O)cc12 ZINC000587608312 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](c1ccccc1)c1ccc(O)cc12 ZINC000587608314 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](c1ccccc1)c1ccc(O)cc12 ZINC000587608316 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](c1ccccc1)c1ccc(O)cc12 ZINC000587608317 JK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608431 JK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608432 JK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608434 JK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608435 JK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608454 JK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608455 JK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608456 JK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608457 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(C)c(C)c(=O)oc2c1 ZINC000587608625 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(C)c(C)c(=O)oc2c1 ZINC000587608628 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(C)c(C)c(=O)oc2c1 ZINC000587608631 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(C)c(C)c(=O)oc2c1 ZINC000587608633 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1S(=O)(=O)Cl ZINC000587608665 JK Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1S(=O)(=O)Cl ZINC000587608666 JK Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1S(=O)(=O)Cl ZINC000587608667 JK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1S(=O)(=O)Cl ZINC000587608668 JK Annotated Unstable COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608715 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608716 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608717 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608718 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@H]3C[C@H]12 ZINC000587608778 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@H]3C[C@H]12 ZINC000587608783 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@H]3C[C@H]12 ZINC000587608785 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@H]3C[C@H]12 ZINC000587608786 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587608787 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587608791 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587608793 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587608795 JK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587608813 JK Annotated Bother Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587608815 JK Annotated Bother Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587608816 JK Annotated Bother Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587608817 JK Annotated Bother CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608836 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608837 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608838 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608839 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587608867 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587608872 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587608874 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587608876 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608941 JK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608960 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608961 JK Annotated Anodyne C[C@]1(c2ccccc2OCc2cnc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608962 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587609013 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587609019 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587609021 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587609022 JK Annotated Anodyne Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)n1 ZINC000587609095 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)n1 ZINC000587609097 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)n1 ZINC000587609099 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)n1 ZINC000587609102 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(Br)cc2)n1 ZINC000587609125 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(Br)cc2)n1 ZINC000587609130 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(Br)cc2)n1 ZINC000587609132 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(Br)cc2)n1 ZINC000587609133 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587609135 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587609139 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587609140 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587609141 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587609142 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587609144 JK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587609146 JK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587609148 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609151 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609152 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609153 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609155 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609166 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609167 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609168 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609169 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587609170 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587609171 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587609172 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2oc1=O ZINC000587609173 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587609178 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587609179 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587609180 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587609181 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1c2ccc(O)c1O ZINC000587609190 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1c2ccc(O)c1O ZINC000587609191 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1c2ccc(O)c1O ZINC000587609192 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1c2ccc(O)c1O ZINC000587609193 JK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)CC2CCCC2)cc1 ZINC000587609363 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)CC2CCCC2)cc1 ZINC000587609364 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)CC2CCCC2)cc1 ZINC000587609365 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)CC2CCCC2)cc1 ZINC000587609366 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000587609367 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000587609372 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000587609373 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000587609374 JK Annotated Anodyne N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609382 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609384 JK Annotated Reactive N#CSC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609386 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609387 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Nc2ccccc2Cl)nc1Cl ZINC000587609391 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Nc2ccccc2Cl)nc1Cl ZINC000587609396 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Nc2ccccc2Cl)nc1Cl ZINC000587609397 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Nc2ccccc2Cl)nc1Cl ZINC000587609398 JK Annotated Anodyne O=C(CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cccs1 ZINC000587609407 JK Annotated Anodyne O=C(CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccs1 ZINC000587609411 JK Annotated Anodyne O=C(CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccs1 ZINC000587609413 JK Annotated Anodyne O=C(CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cccs1 ZINC000587609414 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cnc(Cl)s2)c1 ZINC000587609450 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cnc(Cl)s2)c1 ZINC000587609452 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cnc(Cl)s2)c1 ZINC000587609454 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cnc(Cl)s2)c1 ZINC000587609455 JK Annotated Anodyne N#CSC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609464 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609470 JK Annotated Reactive N#CSC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609471 JK Annotated Reactive N#CSC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609473 JK Annotated Reactive CC(C)(C)c1csc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587609501 JK Annotated Anodyne CC(C)(C)c1csc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587609502 JK Annotated Anodyne CC(C)(C)c1csc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587609503 JK Annotated Anodyne CC(C)(C)c1csc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587609505 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccs3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587609516 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccs3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587609519 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccs3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587609521 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccs3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587609523 JK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587609524 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc3ccccc3c2)cs1 ZINC000587609525 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc3ccccc3c2)cs1 ZINC000587609526 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc3ccccc3c2)cs1 ZINC000587609527 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc3ccccc3c2)cs1 ZINC000587609528 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)s1 ZINC000587609529 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)s1 ZINC000587609530 JK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587609531 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2Cl)s1 ZINC000587609532 JK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587609533 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2Cl)s1 ZINC000587609534 JK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587609536 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609550 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609551 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609552 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609553 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587609618 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587609619 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609692 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609693 JK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609694 JK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609695 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609725 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609730 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609731 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609734 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587609762 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587609765 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587609767 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609768 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587609769 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609773 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609775 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609778 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1C ZINC000587609820 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1C ZINC000587609822 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1C ZINC000587609824 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1C ZINC000587609825 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609834 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609836 JK Annotated Anodyne C[C@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609839 JK Annotated Anodyne C[C@]1(c2ccc(OCc3cnc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609842 JK Annotated Anodyne CSc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609888 JK Annotated Reactive CSc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609890 JK Annotated Reactive CSc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609892 JK Annotated Reactive CSc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609895 JK Annotated Reactive Nc1c([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587609903 JK Annotated Anodyne C[C@@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609904 JK Annotated Anodyne C[C@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609905 JK Annotated Anodyne C[C@@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609906 JK Annotated Anodyne C[C@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609907 JK Annotated Anodyne Nc1c([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587609909 JK Annotated Anodyne Nc1c([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587609910 JK Annotated Anodyne Nc1c([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587609913 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587609922 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587609924 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587609926 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587609927 JK Annotated Anodyne CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609953 JK Annotated Mild CCCCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609956 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609957 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609958 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609959 JK Annotated Anodyne CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609960 JK Annotated Mild CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609962 JK Annotated Mild CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609963 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587609997 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587609999 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587610000 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587610001 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587610020 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587610021 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccc(O)cc1)Oc1cc(O)ccc12 ZINC000587610036 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccc(O)cc1)Oc1cc(O)ccc12 ZINC000587610038 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccc(O)cc1)Oc1cc(O)ccc12 ZINC000587610039 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccc(O)cc1)Oc1cc(O)ccc12 ZINC000587610040 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c(C)c1 ZINC000587610053 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c(C)c1 ZINC000587610056 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c(C)c1 ZINC000587610059 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c(C)c1 ZINC000587610062 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587610102 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587610104 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587610105 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587610107 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000587610155 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610183 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000587610188 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000587610189 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000587610190 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610192 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610195 JK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610198 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(C1CCC3(CC1)OCCO3)CC2 ZINC000587610230 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(C1CCC3(CC1)OCCO3)CC2 ZINC000587610231 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610278 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610292 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610296 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 ZINC000587610298 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610299 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 ZINC000587610303 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 ZINC000587610304 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 ZINC000587610307 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000587610321 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000587610324 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000587610327 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000587610328 JK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610405 JK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610411 JK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610413 JK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610414 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000587610452 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000587610455 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000587610458 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000587610461 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610488 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610500 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610502 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610503 JK Annotated Anodyne Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610610 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610614 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610616 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610619 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)s2)s1 ZINC000587610683 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610689 JK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610691 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610693 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610695 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610696 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610697 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)s2)s1 ZINC000587610699 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610700 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)s2)s1 ZINC000587610701 JK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610703 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)s2)s1 ZINC000587610704 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Br)s1 ZINC000587610722 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Br)s1 ZINC000587610725 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Br)s1 ZINC000587610729 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Br)s1 ZINC000587610734 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccs1 ZINC000587610813 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccs1 ZINC000587610822 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccs1 ZINC000587610828 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccs1 ZINC000587610831 JK Annotated Anodyne Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610848 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610851 JK Annotated Mild Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610880 JK Annotated Clean Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610882 JK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610883 JK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610885 JK Annotated Clean COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccs1 ZINC000587610926 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccs1 ZINC000587610929 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccs1 ZINC000587610931 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccs1 ZINC000587610934 JK Annotated Anodyne C[S@](=O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610982 JK Annotated Anodyne C[S@](=O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610984 JK Annotated Anodyne C[S@](=O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610987 JK Annotated Anodyne C[S@](=O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610989 JK Annotated Anodyne Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611072 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611074 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)s1 ZINC000587611090 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)s1 ZINC000587611091 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)s1 ZINC000587611092 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)s1 ZINC000587611093 JK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc(C)c3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611109 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc(C)c3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611111 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611114 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611116 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)s1 ZINC000587611146 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)s1 ZINC000587611148 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)s1 ZINC000587611150 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)s1 ZINC000587611151 JK Annotated Reactive CCCCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611178 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611180 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611182 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611183 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 ZINC000587611194 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 ZINC000587611196 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 ZINC000587611197 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 ZINC000587611199 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)c1Br ZINC000587611223 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)c1Br ZINC000587611224 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)c1Br ZINC000587611225 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)c1Br ZINC000587611226 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587611228 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587611230 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587611231 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587611232 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587611324 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587611326 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587611328 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587611330 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 ZINC000587611348 JK Annotated Reactive C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611349 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 ZINC000587611350 JK Annotated Reactive C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611351 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 ZINC000587611352 JK Annotated Reactive C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611353 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1cccs1 ZINC000587611354 JK Annotated Reactive C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611355 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611373 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611377 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611379 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611382 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000587611409 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000587611410 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000587611411 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000587611414 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611434 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587611437 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611438 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611439 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611440 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587611446 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587611447 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccs1 ZINC000587611448 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611457 JK Annotated Anodyne C[C@@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611458 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611459 JK Annotated Anodyne C[C@]1(c2cccc(OCc3cnc(Cl)s3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611460 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1c(C)cccc1C ZINC000587611461 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1c(C)cccc1C ZINC000587611462 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1c(C)cccc1C ZINC000587611463 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1c(C)cccc1C ZINC000587611464 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C\c1ccccc1)Oc1cc(O)ccc12 ZINC000587611478 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C/c1ccccc1)Oc1cc(O)ccc12 ZINC000587611479 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C/c1ccccc1)Oc1cc(O)ccc12 ZINC000587611480 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C\c1ccccc1)Oc1cc(O)ccc12 ZINC000587611481 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587611546 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587611547 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587611548 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587611549 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587611554 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587611555 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587611556 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587611557 JK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611580 JK Annotated Reactive CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611581 JK Annotated Reactive CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611582 JK Annotated Reactive CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611583 JK Annotated Reactive CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611616 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611617 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611618 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611619 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611620 JK Annotated Anodyne C[C@]1(c2cc(Br)c(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611621 JK Annotated Anodyne C[C@]1(c2cc(Br)c(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611622 JK Annotated Anodyne C[C@@]1(c2cc(Br)c(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611623 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000587611663 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000587611666 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000587611668 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000587611671 JK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587611672 JK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587611673 JK Annotated Anodyne COc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587611674 JK Annotated Anodyne COc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587611677 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611712 JK Annotated Bother C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611714 JK Annotated Bother C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611716 JK Annotated Bother C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611718 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2Cl)nc1 ZINC000587611999 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2Cl)nc1 ZINC000587612000 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2Cl)nc1 ZINC000587612002 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2Cl)nc1 ZINC000587612004 JK Annotated Anodyne CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612006 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612008 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612010 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612012 JK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1ccccn1 ZINC000587612082 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1ccccn1 ZINC000587612086 JK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1ccccn1 ZINC000587612088 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1ccccn1 ZINC000587612090 JK Annotated Anodyne Cc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)cn1 ZINC000587612100 JK Annotated Anodyne Cc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)cn1 ZINC000587612102 JK Annotated Anodyne Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)cn1 ZINC000587612103 JK Annotated Anodyne Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cc(Cl)cn1 ZINC000587612105 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1cc(O)ccc12 ZINC000587612134 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1cc(O)ccc12 ZINC000587612135 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1cc(O)ccc12 ZINC000587612136 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1cc(O)ccc12 ZINC000587612137 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587612157 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587612158 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587612159 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587612161 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Br ZINC000587612224 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Br ZINC000587612226 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Br ZINC000587612228 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Br ZINC000587612230 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccn2)s1 ZINC000587612232 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cnc(Cl)s1 ZINC000587612239 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cnc(Cl)s1 ZINC000587612240 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cnc(Cl)s1 ZINC000587612241 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cnc(Cl)s1 ZINC000587612242 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000587612243 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000587612244 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000587612245 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000587612246 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2ccccn2)s1 ZINC000587612248 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccn2)s1 ZINC000587612250 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2ccccn2)s1 ZINC000587612253 JK Annotated Reactive Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612254 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612260 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612262 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612264 JK Annotated Anodyne N#CSC[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612312 JK Annotated Reactive N#CSC[C@@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612313 JK Annotated Reactive N#CSC[C@@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612314 JK Annotated Reactive N#CSC[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612315 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Br)s1 ZINC000587612328 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Br)s1 ZINC000587612329 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Br)s1 ZINC000587612330 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Br)s1 ZINC000587612331 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612336 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612337 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612338 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612339 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587612340 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587612342 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587612343 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587612344 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000587612353 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000587612354 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000587612358 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000587612359 JK Annotated Bother CN(C)/C=C/[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612369 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612370 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612371 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612372 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612426 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612427 JK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612428 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612429 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612524 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612525 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612526 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612527 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587612546 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587612547 JK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587612548 JK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587612549 JK Annotated Anodyne C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612550 JK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612551 JK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612552 JK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612553 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(O)cc12 ZINC000587612554 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(O)cc12 ZINC000587612555 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(O)cc12 ZINC000587612556 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(O)cc12 ZINC000587612557 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1sccc1Br ZINC000587612584 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1sccc1Br ZINC000587612585 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1sccc1Br ZINC000587612587 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1sccc1Br ZINC000587612589 JK Annotated Reactive C[C@@]1(c2ccc(-c3ccccc3Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612590 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612591 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612592 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612593 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612594 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612595 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612596 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612598 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587612599 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587612600 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587612602 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587612604 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587612638 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612639 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587612640 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587612641 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587612642 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612643 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612644 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612645 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612646 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612648 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612649 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612650 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587612651 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587612655 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587612657 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587612658 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Nc2ccccc2)nc1Cl ZINC000587612671 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Nc2ccccc2)nc1Cl ZINC000587612672 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Nc2ccccc2)nc1Cl ZINC000587612673 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Nc2ccccc2)nc1Cl ZINC000587612675 JK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612695 JK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612696 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612697 JK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612698 JK Annotated Anodyne Nc1sccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612747 JK Annotated Anodyne Nc1sccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612749 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612764 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612765 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612766 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612767 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612768 JK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612769 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)cc1O ZINC000587612796 JK Annotated Anodyne CC(C)(C)c1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)cc1O ZINC000587612797 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)cc1O ZINC000587612798 JK Annotated Anodyne CC(C)(C)c1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)cc1O ZINC000587612799 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612863 JK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612864 JK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612866 JK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612867 JK Annotated Anodyne Nc1sccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612871 JK Annotated Anodyne Nc1sccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612872 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccccc1Cl ZINC000587612878 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccccc1Cl ZINC000587612880 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccccc1Cl ZINC000587612881 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccccc1Cl ZINC000587612882 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccc(O)cc3O2)cc1O ZINC000587612904 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccc(O)cc3O2)cc1O ZINC000587612906 JK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccc(O)cc3O2)cc1O ZINC000587612907 JK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccc(O)cc3O2)cc1O ZINC000587612908 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 ZINC000587612922 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 ZINC000587612927 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 ZINC000587612929 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 ZINC000587612931 JK Annotated Bother Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C3=O ZINC000587612932 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C3=O ZINC000587612934 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C3=O ZINC000587612935 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C3=O ZINC000587612938 JK Annotated Anodyne CSc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1NC(C)=O ZINC000587612949 JK Annotated Reactive CSc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1NC(C)=O ZINC000587612951 JK Annotated Reactive CSc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1NC(C)=O ZINC000587612952 JK Annotated Reactive CSc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1NC(C)=O ZINC000587612954 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Sc1ccccc1Cl ZINC000587612982 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Sc1ccccc1Cl ZINC000587612984 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Sc1ccccc1Cl ZINC000587612986 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Sc1ccccc1Cl ZINC000587612987 JK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613022 JK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613025 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613057 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613059 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613062 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613063 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587613068 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587613072 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587613074 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587613075 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587613076 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587613077 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587613078 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587613080 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613108 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613109 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613110 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613111 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613112 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613113 JK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613114 JK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(Cl)cn3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613115 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613124 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613125 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613126 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613127 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613128 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613129 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613130 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613131 JK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613132 JK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613133 JK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613134 JK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613135 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000587613160 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000587613161 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000587613162 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000587613163 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000587613164 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000587613165 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccc(Cl)cc1 ZINC000587613180 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccc(Cl)cc1 ZINC000587613181 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccc(Cl)cc1 ZINC000587613182 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccc(Cl)cc1 ZINC000587613183 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Sc1ccc(Cl)cc1 ZINC000587613216 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Sc1ccc(Cl)cc1 ZINC000587613217 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Sc1ccc(Cl)cc1 ZINC000587613218 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Sc1ccc(Cl)cc1 ZINC000587613219 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613221 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613223 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613225 JK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613227 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000587613237 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000587613240 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000587613242 JK Annotated Bother C[C@@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613243 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000587613244 JK Annotated Bother C[C@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613245 JK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613247 JK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613248 JK Annotated Anodyne CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587613279 JK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@@H]12)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587613282 JK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587613285 JK Annotated Clean N#Cc1sccc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613287 JK Annotated Mild CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@H]12)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587613288 JK Annotated Clean N#Cc1sccc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613308 JK Annotated Mild N#Cc1sccc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613309 JK Annotated Mild N#Cc1sccc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613310 JK Annotated Mild Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613324 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613325 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613326 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613327 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587613352 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C(=O)O)C1 ZINC000587613353 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C(=O)O)C1 ZINC000587613354 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587613355 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000587613359 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000587613360 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613378 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613380 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613385 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613386 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)s1 ZINC000587613391 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)s1 ZINC000587613392 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)s1 ZINC000587613394 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)s1 ZINC000587613395 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613396 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613401 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613403 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613406 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587613417 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587613420 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587613423 JK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587613426 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587613455 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587613457 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587613460 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587613462 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Br)nc1Br ZINC000587613531 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Br)nc1Br ZINC000587613532 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Br)nc1Br ZINC000587613534 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Br)nc1Br ZINC000587613535 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613618 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613619 JK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613620 JK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613621 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613626 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613627 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613628 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613629 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000587613658 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000587613659 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000587613660 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000587613661 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613712 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613713 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613714 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587613715 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1)C1CC1 ZINC000587613724 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1)C1CC1 ZINC000587613725 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1)C1CC1 ZINC000587613726 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1)C1CC1 ZINC000587613727 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613755 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613761 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613764 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613766 JK Annotated Anodyne COc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c2ccccc12 ZINC000587613770 JK Annotated Anodyne COc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c2ccccc12 ZINC000587613772 JK Annotated Anodyne COc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c2ccccc12 ZINC000587613773 JK Annotated Anodyne COc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c2ccccc12 ZINC000587613775 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613777 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613778 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613780 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613782 JK Annotated Anodyne N#CCc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613821 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc3ccccc3c12 ZINC000587613825 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc3ccccc3c12 ZINC000587613828 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc3ccccc3c12 ZINC000587613831 JK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613833 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc3ccccc3c12 ZINC000587613834 JK Annotated Anodyne N#CCc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613835 JK Annotated Mild CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613836 JK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613837 JK Annotated Mild CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613845 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613848 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613849 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1sccc1Br)C1CCCCC1 ZINC000587613869 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1sccc1Br)C1CCCCC1 ZINC000587613870 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1sccc1Br)C1CCCCC1 ZINC000587613871 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1sccc1Br)C1CCCCC1 ZINC000587613872 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587613889 JK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587613891 JK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587613893 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587613895 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613903 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613904 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613906 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613908 JK Annotated Anodyne CCCc1sc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587613956 JK Annotated Anodyne CCCc1sc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587613957 JK Annotated Anodyne CCCc1sc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587613959 JK Annotated Anodyne CCCc1sc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587613960 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1O)Oc1ccccc12 ZINC000587614018 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1O)Oc1ccccc12 ZINC000587614019 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1O)Oc1ccccc12 ZINC000587614020 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1O)Oc1ccccc12 ZINC000587614021 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614031 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614033 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614036 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614041 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Br)cc2)o1 ZINC000587614048 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Br)cc2)o1 ZINC000587614050 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Br)cc2)o1 ZINC000587614053 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Br)cc2)o1 ZINC000587614055 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614078 JK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614081 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614084 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587614086 JK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614087 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587614089 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587614093 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587614098 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614100 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614108 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000587614113 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614114 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000587614117 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614119 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000587614120 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000587614122 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(Br)cc2)s1 ZINC000587614164 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(Br)cc2)s1 ZINC000587614165 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(Br)cc2)s1 ZINC000587614166 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(Br)cc2)s1 ZINC000587614167 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614169 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614183 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614186 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614189 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587614207 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587614211 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587614213 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587614216 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cnc(Cl)s2)cc1 ZINC000587614252 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cnc(Cl)s2)cc1 ZINC000587614254 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cnc(Cl)s2)cc1 ZINC000587614255 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cnc(Cl)s2)cc1 ZINC000587614258 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(/C=C/c2ccoc2)oc2ccc(O)cc12 ZINC000587614263 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N=C=S)cc1 ZINC000587614267 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N=C=S)cc1 ZINC000587614268 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(/C=C/c2ccoc2)oc2ccc(O)cc12 ZINC000587614269 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N=C=S)cc1 ZINC000587614270 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N=C=S)cc1 ZINC000587614271 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(/C=C/c2ccoc2)oc2ccc(O)cc12 ZINC000587614273 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(/C=C/c2ccoc2)oc2ccc(O)cc12 ZINC000587614274 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614283 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614284 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614288 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614289 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614355 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614356 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614359 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614361 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1cccc(C)c1C ZINC000587614380 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1cccc(C)c1C ZINC000587614382 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)c1cccc(C)c1C ZINC000587614384 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)c1cccc(C)c1C ZINC000587614386 JK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)c(O)cc2O1 ZINC000587614402 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)s1 ZINC000587614411 JK Annotated Reactive CC1=C(c2csc(C)n2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)c(O)cc2O1 ZINC000587614412 JK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)c(O)cc2O1 ZINC000587614413 JK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)c(O)cc2O1 ZINC000587614414 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)s1 ZINC000587614415 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Br)s1 ZINC000587614416 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Br)s1 ZINC000587614418 JK Annotated Reactive Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587614441 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587614444 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587614445 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587614446 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000587614456 JK Annotated Anodyne CCSc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587614459 JK Annotated Anodyne CCSc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587614460 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000587614461 JK Annotated Anodyne CCSc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587614462 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000587614463 JK Annotated Anodyne CCSc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587614464 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000587614465 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614466 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614476 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614478 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614480 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc(Br)c2)n1 ZINC000587614508 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc(Br)c2)n1 ZINC000587614509 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000587614524 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC000587614525 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000587614526 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC000587614527 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614622 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614623 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614624 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSc3ncccn3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614625 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccc(Cl)cc1Cl ZINC000587614626 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccc(Cl)cc1Cl ZINC000587614627 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccc(Cl)cc1Cl ZINC000587614628 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccc(Cl)cc1Cl ZINC000587614629 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000587614642 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000587614643 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000587614644 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000587614645 JK Annotated Bother O=C(O)CC[C@@]1(c2sc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614702 JK Annotated Anodyne O=C(O)CC[C@]1(c2sc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614703 JK Annotated Anodyne O=C(O)CC[C@@]1(c2sc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614704 JK Annotated Anodyne O=C(O)CC[C@]1(c2sc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614705 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc(Br)c2)n1 ZINC000587614710 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc(Br)c2)n1 ZINC000587614711 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000587614716 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000587614717 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000587614718 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000587614719 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614736 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614737 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614738 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614739 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Br)s1 ZINC000587614744 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Br)s1 ZINC000587614745 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Br)s1 ZINC000587614746 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Br)s1 ZINC000587614747 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614752 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614753 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614754 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614755 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614768 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614769 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614770 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614771 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Sc2ccccc2)nc1Cl ZINC000587614776 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Sc2ccccc2)nc1Cl ZINC000587614777 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Sc2ccccc2)nc1Cl ZINC000587614778 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Sc2ccccc2)nc1Cl ZINC000587614779 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 ZINC000587614804 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 ZINC000587614805 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 ZINC000587614806 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 ZINC000587614807 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c-2ccc2c(C)cccc12 ZINC000587614912 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c-2ccc2c(C)cccc12 ZINC000587614922 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c-2ccc2c(C)cccc12 ZINC000587614923 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c-2ccc2c(C)cccc12 ZINC000587614925 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615028 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615029 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615030 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615031 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccc2Br)n1 ZINC000587615048 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccc2Br)n1 ZINC000587615049 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccc2Br)n1 ZINC000587615050 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccc2Br)n1 ZINC000587615051 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cnc(Cl)s1 ZINC000587615091 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cnc(Cl)s1 ZINC000587615094 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cnc(Cl)s1 ZINC000587615095 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cnc(Cl)s1 ZINC000587615096 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)s1 ZINC000587615101 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Br)s1 ZINC000587615102 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)s1 ZINC000587615103 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Br)s1 ZINC000587615104 JK Annotated Anodyne C=CCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1Cc1ccccc1 ZINC000587615150 JK Annotated Mild C=CCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1Cc1ccccc1 ZINC000587615151 JK Annotated Mild C=CCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1Cc1ccccc1 ZINC000587615152 JK Annotated Mild C=CCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1Cc1ccccc1 ZINC000587615153 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2Cl)cc1 ZINC000587615170 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2Cl)cc1 ZINC000587615171 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2Cl)cc1 ZINC000587615172 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2Cl)cc1 ZINC000587615173 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615174 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615175 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615176 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615177 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1scc(Br)c1Br ZINC000587615190 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1scc(Br)c1Br ZINC000587615191 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1scc(Br)c1Br ZINC000587615192 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1scc(Br)c1Br ZINC000587615193 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615283 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1cccs1 ZINC000587615287 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615289 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1cccs1 ZINC000587615290 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615292 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1cccs1 ZINC000587615293 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615295 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1cccs1 ZINC000587615296 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(Br)Br ZINC000587615316 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000587615320 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000587615322 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000587615323 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000587615325 JK Annotated Bother Cc1ccc(Sc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587615327 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(Br)Br ZINC000587615329 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(Br)Br ZINC000587615331 JK Annotated Reactive Cc1ccc(Sc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587615332 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(Br)Br ZINC000587615334 JK Annotated Reactive Cc1ccc(Sc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587615336 JK Annotated Anodyne Cc1cnc(SC[C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615337 JK Annotated Clean Cc1ccc(Sc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)cc1 ZINC000587615339 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615341 JK Annotated Clean Cc1cnc(SC[C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615344 JK Annotated Clean Cc1cnc(SC[C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615346 JK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1nccc(-c2cccs2)n1 ZINC000587615348 JK Annotated Anodyne CSc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615354 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1nccc(-c2cccs2)n1 ZINC000587615355 JK Annotated Anodyne CSc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615356 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1nccc(-c2cccs2)n1 ZINC000587615357 JK Annotated Anodyne CSc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615358 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1nccc(-c2cccs2)n1 ZINC000587615359 JK Annotated Anodyne CSc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615360 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)c2)s1 ZINC000587615377 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Br)c2)s1 ZINC000587615379 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)c2)s1 ZINC000587615382 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Br)c2)s1 ZINC000587615384 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587615397 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587615399 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587615401 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587615402 JK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615404 JK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615407 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1CSc1ccccc1 ZINC000587615408 JK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615409 JK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615410 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1CSc1ccccc1 ZINC000587615411 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1CSc1ccccc1 ZINC000587615413 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1CSc1ccccc1 ZINC000587615415 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615435 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615439 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615441 JK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615442 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000587615455 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000587615457 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000587615458 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000587615459 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1csc(C)n1 ZINC000587615475 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1csc(C)n1 ZINC000587615478 JK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1csc(C)n1 ZINC000587615480 JK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1csc(C)n1 ZINC000587615483 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1ncccn1 ZINC000587615508 JK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1ncccn1 ZINC000587615509 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1ncccn1 ZINC000587615510 JK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1ncccn1 ZINC000587615511 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 ZINC000587615524 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 ZINC000587615525 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 ZINC000587615526 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 ZINC000587615527 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)sc1Br ZINC000587615540 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)sc1Br ZINC000587615541 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)sc1Br ZINC000587615542 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)sc1Br ZINC000587615543 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cc(Br)cs1)CC2 ZINC000587615580 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cc(Br)cs1)CC2 ZINC000587615581 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587615582 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587615584 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587615586 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587615587 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Cl ZINC000587615589 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Cl ZINC000587615590 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1sccc1Cl ZINC000587615591 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1sccc1Cl ZINC000587615592 JK Annotated Reactive C[C@@]1(c2scc(Br)c2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615615 JK Annotated Anodyne C[C@@]1(c2scc(Br)c2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615617 JK Annotated Anodyne C[C@]1(c2scc(Br)c2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615619 JK Annotated Anodyne C[C@]1(c2scc(Br)c2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615620 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615622 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615628 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615630 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615631 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2)s1 ZINC000587615660 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Br)cc2)s1 ZINC000587615661 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2)s1 ZINC000587615662 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Br)cc2)s1 ZINC000587615664 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(CC#N)s3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615689 JK Annotated Mild COc1ccc([C@]2(c3ccc(CC#N)s3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615691 JK Annotated Mild COc1ccc([C@]2(c3ccc(CC#N)s3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615692 JK Annotated Mild COc1ccc([C@@]2(c3ccc(CC#N)s3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615694 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCC(Cc3ccccc3)CC2)s1 ZINC000587615713 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCC(Cc3ccccc3)CC2)s1 ZINC000587615714 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCC(Cc3ccccc3)CC2)s1 ZINC000587615715 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCC(Cc3ccccc3)CC2)s1 ZINC000587615716 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cnc(Cl)s2)c2ccccc12 ZINC000587615732 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cnc(Cl)s2)c2ccccc12 ZINC000587615733 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cnc(Cl)s2)c2ccccc12 ZINC000587615734 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cnc(Cl)s2)c2ccccc12 ZINC000587615735 JK Annotated Anodyne N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615736 JK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615737 JK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615738 JK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615739 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(COc2ccc(Cl)cc2)n1 ZINC000587615749 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(COc2ccc(Cl)cc2)n1 ZINC000587615751 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(COc2ccc(Cl)cc2)n1 ZINC000587615752 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(COc2ccc(Cl)cc2)n1 ZINC000587615753 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615754 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615755 JK Annotated Anodyne Cn1nc(CSc2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587615792 JK Annotated Anodyne Cn1nc(CSc2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587615796 JK Annotated Anodyne Cn1nc(CSc2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587615799 JK Annotated Anodyne Cn1nc(CSc2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587615800 JK Annotated Anodyne CSc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1NC(C)=O ZINC000587615810 JK Annotated Reactive CSc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1NC(C)=O ZINC000587615812 JK Annotated Reactive CSc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1NC(C)=O ZINC000587615813 JK Annotated Reactive CSc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1NC(C)=O ZINC000587615814 JK Annotated Reactive CSc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587615883 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587615884 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587615885 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587615886 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587615923 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615924 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615925 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587615926 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587615928 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587615929 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccc(Cl)cc3)sc12 ZINC000587615930 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccc(Cl)cc3)sc12 ZINC000587615935 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccc(Cl)cc3)sc12 ZINC000587615936 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccc(Cl)cc3)sc12 ZINC000587615937 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587615971 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587615977 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587615979 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587615982 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)c1cccc2ccccc12 ZINC000587616053 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)c1cccc2ccccc12 ZINC000587616054 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)c1cccc2ccccc12 ZINC000587616055 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)c1cccc2ccccc12 ZINC000587616056 JK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 ZINC000587616077 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 ZINC000587616078 JK Annotated Reactive C[C@@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616086 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616087 JK Annotated Anodyne C[C@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616088 JK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc4sccc4c3)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616089 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2sc3ccccc3n12 ZINC000587616093 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2sc3ccccc3n12 ZINC000587616094 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2sc3ccccc3n12 ZINC000587616095 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2sc3ccccc3n12 ZINC000587616096 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 ZINC000587616105 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 ZINC000587616106 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 ZINC000587616107 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 ZINC000587616108 JK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@]1(C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616135 JK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616136 JK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@]1(C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616137 JK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616138 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587616153 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587616154 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587616155 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587616156 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1)Oc1cc(O)ccc12 ZINC000587616157 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1)Oc1cc(O)ccc12 ZINC000587616158 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1)Oc1cc(O)ccc12 ZINC000587616159 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)Oc1cc(O)ccc12 ZINC000587616160 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 ZINC000587616179 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1cccs1 ZINC000587616181 JK Annotated Reactive CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587616183 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587616186 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587616188 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587616190 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Oc2ccccc2)nc1Cl ZINC000587616218 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Oc2ccccc2)nc1Cl ZINC000587616219 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Oc2ccccc2)nc1Cl ZINC000587616220 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Oc2ccccc2)nc1Cl ZINC000587616222 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)o1 ZINC000587616238 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)o1 ZINC000587616239 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)o1 ZINC000587616240 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)o1 ZINC000587616241 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616250 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616251 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616252 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616253 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587616291 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587616292 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587616293 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587616294 JK Annotated Anodyne COc1ccc(OCc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587616299 JK Annotated Anodyne COc1ccc(OCc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587616300 JK Annotated Anodyne COc1ccc(OCc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587616301 JK Annotated Anodyne COc1ccc(OCc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587616302 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616308 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616309 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616310 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616311 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000587616324 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000587616325 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000587616326 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000587616327 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587616372 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587616373 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587616374 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587616375 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587616388 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587616389 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587616390 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587616391 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616396 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616397 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616398 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616399 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C3OCCO3)cc2)cc1 ZINC000587616427 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C3OCCO3)cc2)cc1 ZINC000587616428 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C3OCCO3)cc2)cc1 ZINC000587616429 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C3OCCO3)cc2)cc1 ZINC000587616430 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](c1ccccc1)O2 ZINC000587616439 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccccc1)O2 ZINC000587616440 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccccc1)O2 ZINC000587616441 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccccc1)O2 ZINC000587616442 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@@H]2c1ccccc1 ZINC000587616463 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccccc1 ZINC000587616464 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@H]2c1ccccc1 ZINC000587616465 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@H]2c1ccccc1 ZINC000587616466 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616533 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616534 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616535 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616536 JK Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616558 JK Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616559 JK Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616560 JK Annotated Reactive N#C[C@H](c1nc2ccccc2s1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616561 JK Annotated Reactive Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(N)ccc1S2 ZINC000587616566 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(N)ccc1S2 ZINC000587616567 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(N)ccc1S2 ZINC000587616568 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(N)ccc1S2 ZINC000587616569 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587616579 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587616580 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587616581 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587616582 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616603 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616604 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616605 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616606 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc3nsnc3c2)cc1 ZINC000587616711 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc3nsnc3c2)cc1 ZINC000587616712 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc3nsnc3c2)cc1 ZINC000587616713 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc3nsnc3c2)cc1 ZINC000587616714 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)sc2ccc(Cl)cc12 ZINC000587616719 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)sc2ccc(Cl)cc12 ZINC000587616720 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)sc2ccc(Cl)cc12 ZINC000587616721 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)sc2ccc(Cl)cc12 ZINC000587616722 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2s1)c1ccccc1 ZINC000587616723 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2s1)c1ccccc1 ZINC000587616724 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2s1)c1ccccc1 ZINC000587616725 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2s1)c1ccccc1 ZINC000587616726 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 ZINC000587616736 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 ZINC000587616737 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 ZINC000587616738 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 ZINC000587616739 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nnc(S)s1)c1ccccc1 ZINC000587616761 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnc(S)s1)c1ccccc1 ZINC000587616762 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnc(S)s1)c1ccccc1 ZINC000587616763 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nnc(S)s1)c1ccccc1 ZINC000587616764 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616777 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616778 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616779 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616780 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616781 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616782 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616783 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616784 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587616837 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587616838 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587616839 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587616840 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCSC2 ZINC000587616956 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCSC2 ZINC000587616957 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCSC2 ZINC000587616958 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCSC2 ZINC000587616959 JK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 ZINC000587616961 JK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 ZINC000587616962 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 ZINC000587616963 JK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 ZINC000587616964 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616969 JK Annotated Reactive Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616970 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616971 JK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616972 JK Annotated Reactive C[C@@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616977 JK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616978 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616979 JK Annotated Anodyne C[C@]1(c2ccc(O)c(CSC3=NCCS3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616980 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCSc1ccc(Br)cc12 ZINC000587616981 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCSc1ccc(Br)cc12 ZINC000587616982 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCSc1ccc(Br)cc12 ZINC000587616983 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCSc1ccc(Br)cc12 ZINC000587616984 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617009 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617010 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617011 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617012 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(C)c2c1 ZINC000587617122 JK Annotated Bother CCOC(=O)c1sc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1N ZINC000587617218 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1N ZINC000587617221 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1N ZINC000587617222 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1N ZINC000587617223 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(CCl)c2c1 ZINC000587617305 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(OC)c2c1 ZINC000587617313 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C#N)c2c1 ZINC000587617422 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3O)c(C)c2c1 ZINC000587617443 JK Annotated Bother CCc1cc(CC)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587617484 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587617486 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587617487 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617488 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587617489 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617491 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617492 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617493 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587617502 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587617505 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587617506 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587617507 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587617523 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587617525 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587617526 JK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587617528 JK Annotated Anodyne N#Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587617529 JK Annotated Mild N#Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587617531 JK Annotated Mild N#Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587617532 JK Annotated Mild N#Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587617534 JK Annotated Mild Nc1sc2c(c1[C@@]1(c3ccc(Cl)cn3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587617540 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cn3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587617541 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cn3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587617542 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cn3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587617543 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587617548 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587617549 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587617550 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587617551 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1c(=O)sc2ccccc21)c1ccccc1 ZINC000587617580 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1c(=O)sc2ccccc21)c1ccccc1 ZINC000587617581 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1c(=O)sc2ccccc21)c1ccccc1 ZINC000587617582 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1c(=O)sc2ccccc21)c1ccccc1 ZINC000587617583 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc2ccccc2c1Br ZINC000587617592 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc2ccccc2c1Br ZINC000587617593 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc2ccccc2c1Br ZINC000587617594 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc2ccccc2c1Br ZINC000587617595 JK Annotated Anodyne C[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617600 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617601 JK Annotated Anodyne C[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617602 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C(C)=O)c2c1 ZINC000587617650 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1)Oc1ccc(O)cc12 ZINC000587617664 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1)Oc1ccc(O)cc12 ZINC000587617665 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1)Oc1ccc(O)cc12 ZINC000587617666 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)Oc1ccc(O)cc12 ZINC000587617668 JK Annotated Anodyne C[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617723 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)CCCC3)nc2sccn12 ZINC000587617725 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)CCCC3)nc2sccn12 ZINC000587617734 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)CCCC3)nc2sccn12 ZINC000587617738 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)CCCC3)nc2sccn12 ZINC000587617739 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1coc2ccc(O)cc12 ZINC000587617777 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1coc2ccc(O)cc12 ZINC000587617780 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1coc2ccc(O)cc12 ZINC000587617782 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1coc2ccc(O)cc12 ZINC000587617784 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(Oc3ccccc3)c2c1 ZINC000587617793 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587617799 JK Annotated Bother C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617830 JK Annotated Bother C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617833 JK Annotated Bother C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617835 JK Annotated Bother C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617836 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2cc(Br)ccc2s1 ZINC000587617856 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2cc(Br)ccc2s1 ZINC000587617857 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2cc(Br)ccc2s1 ZINC000587617858 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2cc(Br)ccc2s1 ZINC000587617859 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccc(Br)cc2s1 ZINC000587617864 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccc(Br)cc2s1 ZINC000587617865 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccc(Br)cc2s1 ZINC000587617866 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccc(Br)cc2s1 ZINC000587617867 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587617894 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587617895 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587617896 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587617897 JK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617902 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617921 JK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617922 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617923 JK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617924 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617937 JK Annotated Mild CC1(C)CCC2=C(O1)c1ccccc1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617938 JK Annotated Mild CC1(C)CCC2=C(O1)c1ccccc1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587617939 JK Annotated Mild CC1(C)CCC2=C(O1)c1ccccc1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587617940 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C3CC3)c2c1 ZINC000587617993 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(C)C)c2c1 ZINC000587618015 JK Annotated Bother C[C@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618031 JK Annotated Anodyne C[C@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618034 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C)c2c1 ZINC000587618035 JK Annotated Bother C[C@@]1(c2ccc(Nc3nc4ccccc4s3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618036 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)Cl)c(-c3ccccc3)c2c1 ZINC000587618037 JK Annotated Reactive Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618038 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)Cl)c(-c3ccccc3)c2c1 ZINC000587618039 JK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618042 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618043 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618044 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2c1 ZINC000587618066 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2c1 ZINC000587618070 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2c1 ZINC000587618071 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2c1 ZINC000587618072 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587618100 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587618101 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587618102 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(Cl)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587618103 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C2 ZINC000587618104 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H](c1ccccc1)S[C@@H](c1ccccc1)C2 ZINC000587618105 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H](c1ccccc1)S[C@H](c1ccccc1)C2 ZINC000587618106 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C2 ZINC000587618109 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618114 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618116 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618117 JK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618118 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618147 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618148 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618149 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618150 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C#N)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618154 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cccc(Cl)c3)c2c1 ZINC000587618178 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CC#N)c2c1 ZINC000587618185 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618201 JK Annotated Bother COc1cccc([C@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587618211 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587618212 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587618213 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587618214 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618227 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618228 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618229 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618230 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618239 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618240 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618241 JK Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618242 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587618305 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587618306 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587618307 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587618308 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccc(Br)cc2s1 ZINC000587618309 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccc(Br)cc2s1 ZINC000587618310 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccc(Br)cc2s1 ZINC000587618311 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccc(Br)cc2s1 ZINC000587618312 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2s1 ZINC000587618313 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2s1 ZINC000587618314 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2s1 ZINC000587618315 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2s1 ZINC000587618316 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618331 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618333 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618334 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618337 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618356 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618357 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618358 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618359 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618466 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(C#N)c2c1 ZINC000587618492 JK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)c1ccccc1OC[C@@H]1CO1 ZINC000587618551 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)c1ccccc1OC[C@H]1CO1 ZINC000587618552 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)c1ccccc1OC[C@@H]1CO1 ZINC000587618553 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)c1ccccc1OC[C@H]1CO1 ZINC000587618554 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587618590 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587618592 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587618594 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587618596 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2sccc2c1 ZINC000587618604 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2sccc2c1 ZINC000587618605 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2sccc2c1 ZINC000587618606 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2sccc2c1 ZINC000587618608 JK Annotated Reactive COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2sc3ccccc3n12 ZINC000587618619 JK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2sc3ccccc3n12 ZINC000587618620 JK Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2sc3ccccc3n12 ZINC000587618621 JK Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2sc3ccccc3n12 ZINC000587618623 JK Annotated Anodyne Cn1nc(-c2ccccc2)c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc21 ZINC000587618640 JK Annotated Anodyne Cn1nc(-c2ccccc2)c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc21 ZINC000587618641 JK Annotated Anodyne Cn1nc(-c2ccccc2)c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc21 ZINC000587618642 JK Annotated Anodyne Cn1nc(-c2ccccc2)c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc21 ZINC000587618643 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2nnsc2Cl)cc1 ZINC000587618652 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2nnsc2Cl)cc1 ZINC000587618653 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2nnsc2Cl)cc1 ZINC000587618654 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2nnsc2Cl)cc1 ZINC000587618655 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587618684 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587618687 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587618689 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587618690 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(Cl)c3)c2c1 ZINC000587618745 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCCl)c2c1 ZINC000587618756 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(Cl)cc3)c2c1 ZINC000587618768 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCl)c2c1 ZINC000587618771 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccc3Cl)c2c1 ZINC000587618781 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(N)c3)c(C)c2c1 ZINC000587618803 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C)c2c1 ZINC000587618816 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(N=[N+]=[N-])c2c1 ZINC000587618822 JK Annotated Mild COC(=O)c1ccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587618973 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587618975 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587618976 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587618978 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C#N)c2c1 ZINC000587619035 JK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)OCO3)nc2sccn12 ZINC000587619052 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)OCO3)nc2sccn12 ZINC000587619055 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)CC(C)C)c2c1 ZINC000587619056 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)OCO3)nc2sccn12 ZINC000587619057 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)OCO3)nc2sccn12 ZINC000587619059 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3F)c2c1 ZINC000587619076 JK Annotated Reactive Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCOC2 ZINC000587619089 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCOC2 ZINC000587619090 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCOC2 ZINC000587619091 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCOC2 ZINC000587619095 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3ccccc3c2)nc2sccn12 ZINC000587619118 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3ccccc3c2)nc2sccn12 ZINC000587619120 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3ccccc3c2)nc2sccn12 ZINC000587619123 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3ccccc3c2)nc2sccn12 ZINC000587619124 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619170 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619171 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619172 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619173 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)cc(F)c3)c(C)c2c1 ZINC000587619209 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccccc3)c2c1 ZINC000587619220 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(F)c3)c2c1 ZINC000587619226 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3F)c(C)c2c1 ZINC000587619231 JK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587619291 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587619293 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587619294 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587619296 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Sc1ccc(Cl)cc12 ZINC000587619312 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Sc1ccc(Cl)cc12 ZINC000587619313 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Sc1ccc(Cl)cc12 ZINC000587619314 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Sc1ccc(Cl)cc12 ZINC000587619315 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1csc2ccccc12 ZINC000587619335 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1csc2ccccc12 ZINC000587619337 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1csc2ccccc12 ZINC000587619339 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1csc2ccccc12 ZINC000587619341 JK Annotated Reactive O=C(O)c1ccc2oc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587619354 JK Annotated Anodyne O=C(O)c1ccc2oc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587619355 JK Annotated Anodyne O=C(O)c1ccc2oc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587619356 JK Annotated Anodyne O=C(O)c1ccc2oc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587619357 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1nc2ccccc2s1 ZINC000587619359 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1nc2ccccc2s1 ZINC000587619361 JK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1nc2ccccc2s1 ZINC000587619363 JK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1nc2ccccc2s1 ZINC000587619365 JK Annotated Reactive COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619455 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619456 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619457 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619458 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619459 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619460 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619461 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619462 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(CCl)c2c1 ZINC000587619500 JK Annotated Reactive Cc1cc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)oc1C(=O)O ZINC000587619589 JK Annotated Anodyne Cc1cc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)oc1C(=O)O ZINC000587619592 JK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)oc1C(=O)O ZINC000587619594 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(=O)n(Cc2ccccc2)c1Cl ZINC000587619599 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(=O)n(Cc2ccccc2)c1Cl ZINC000587619600 JK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)oc1C(=O)O ZINC000587619601 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(=O)n(Cc2ccccc2)c1Cl ZINC000587619602 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(=O)n(Cc2ccccc2)c1Cl ZINC000587619604 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587619619 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587619620 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587619622 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587619626 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619636 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619639 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619640 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619641 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587619649 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)cc(F)cc3F)c(C)c2c1 ZINC000587619650 JK Annotated Bother Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587619651 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(Cc3ccccc3)c2c1 ZINC000587619652 JK Annotated Bother Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587619653 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587619654 JK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587619679 JK Annotated Anodyne Cc1coc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587619680 JK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587619682 JK Annotated Anodyne Cc1coc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587619684 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Sc1cc3ccccc3cc12 ZINC000587619686 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Sc1cc3ccccc3cc12 ZINC000587619689 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Sc1cc3ccccc3cc12 ZINC000587619692 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Sc1cc3ccccc3cc12 ZINC000587619695 JK Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619753 JK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619754 JK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619755 JK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619756 JK Annotated Mild COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619772 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619773 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619774 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619775 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(Br)cccc2s1 ZINC000587619858 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(Br)cccc2s1 ZINC000587619859 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(Br)cccc2s1 ZINC000587619860 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(Br)cccc2s1 ZINC000587619861 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(F)c(F)c3)c(C)c2c1 ZINC000587619888 JK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc2ccccc2s1)C1CC1 ZINC000587619895 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc2ccccc2s1)C1CC1 ZINC000587619896 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nc2ccccc2s1)C1CC1 ZINC000587619897 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nc2ccccc2s1)C1CC1 ZINC000587619898 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587619921 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587619923 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587619924 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587619925 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1csc2ccccc12 ZINC000587619982 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1csc2ccccc12 ZINC000587619983 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1csc2ccccc12 ZINC000587619984 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1csc2ccccc12 ZINC000587619986 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(F)c(F)c3)c2c1 ZINC000587619989 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C)c2c1 ZINC000587620003 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)cccc3F)c(C)c2c1 ZINC000587620015 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(F)cccc3F)c2c1 ZINC000587620020 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(F)cc3F)c(C)c2c1 ZINC000587620031 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(F)(F)F)c2c1 ZINC000587620035 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(F)c3)c(C)c2c1 ZINC000587620044 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Oc3ccc(F)c(F)c3)c2c1 ZINC000587620046 JK Annotated Bother CC1(C)CCc2c(sc(N)c2[C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587620050 JK Annotated Anodyne CC1(C)CCc2c(sc(N)c2[C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587620051 JK Annotated Anodyne CC1(C)CCc2c(sc(N)c2[C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587620052 JK Annotated Anodyne CC1(C)CCc2c(sc(N)c2[C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587620053 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)S1 ZINC000587620066 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)S1 ZINC000587620067 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)S1 ZINC000587620068 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)S1 ZINC000587620069 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587620074 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587620075 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587620076 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587620077 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000587620084 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000587620085 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000587620086 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000587620087 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587620140 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587620141 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587620142 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587620143 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(C)c2c1 ZINC000587620148 JK Annotated Bother Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000587620189 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(F)cc3Cl)c2c1 ZINC000587620195 JK Annotated Bother N#Cc1c(-c2cc3cc(Br)ccc3o2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620197 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c([C@@H](C)C#N)c2c1 ZINC000587620213 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c([C@H](C)C#N)c2c1 ZINC000587620214 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3F)c(C)c2c1 ZINC000587620225 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c([C@@H](C)C#N)c2c1 ZINC000587620231 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c([C@H](C)C#N)c2c1 ZINC000587620232 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)ccc(F)c3F)c(C)c2c1 ZINC000587620240 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-c3ccncc3)c2c1 ZINC000587620250 JK Annotated Bother CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1Br ZINC000587620260 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3F)c(C)c2c1 ZINC000587620309 JK Annotated Bother COc1ccc(-c2nc3scc(C)n3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587620366 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587620367 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587620369 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587620371 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc2c(Br)cccc12 ZINC000587620414 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc2c(Br)cccc12 ZINC000587620415 JK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc2c(Br)cccc12 ZINC000587620416 JK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc2c(Br)cccc12 ZINC000587620417 JK Annotated Anodyne Nc1cc(Br)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl ZINC000587620455 JK Annotated Reactive CCCc1c(-c2ncccc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620480 JK Annotated Bother Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2Br)cc1 ZINC000587620481 JK Annotated Anodyne CCCc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)cc1 ZINC000587620496 JK Annotated Mild Cc1cc(Br)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(=O)O ZINC000587620542 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587620545 JK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587620547 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587620549 JK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587620551 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620613 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620615 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620617 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620618 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccc3F)c2c1 ZINC000587620636 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(-c3ccccc3)c2c1 ZINC000587620668 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)cccc3Cl)c(C)c2c1 ZINC000587620682 JK Annotated Bother Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587620731 JK Annotated Bother Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCBr)cc1 ZINC000587620744 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(SC#N)c2c1 ZINC000587620745 JK Annotated Reactive O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620753 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3cccnc3)c2c1 ZINC000587620785 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc4ccccc4o3)c(C#N)c2c1 ZINC000587620789 JK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620805 JK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)c(Br)c1 ZINC000587620813 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)c(C)c3)c(C#N)c2c1 ZINC000587620821 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccc(F)cc3)c2c1 ZINC000587620835 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C(C)C)c2c1 ZINC000587620843 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(C)C)c2c1 ZINC000587620867 JK Annotated Bother CCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620882 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-c3ccccn3)c2c1 ZINC000587620891 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3ccc(F)cc3)c2c1 ZINC000587620919 JK Annotated Bother CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620933 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1c[nH]c2ccc(Br)cc12 ZINC000587620943 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(C)C)c2c1 ZINC000587620955 JK Annotated Bother CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620980 JK Annotated Anodyne Oc1ccc(Br)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 ZINC000587620992 JK Annotated Anodyne CCCCc1c(-c2ccc(N)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621018 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(Cc3cccc(N)c3)c2c1 ZINC000587621021 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3C)c(C#N)c2c1 ZINC000587621053 JK Annotated Mild CCCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621064 JK Annotated Bother CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1cccc(Br)c1 ZINC000587621135 JK Annotated Anodyne N#Cc1c(-c2c[nH]c3ccc(Br)cc23)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621144 JK Annotated Mild CCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621149 JK Annotated Anodyne Brc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1ccnc1 ZINC000587621163 JK Annotated Anodyne Brc1ccccc1-c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621174 JK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Br)cc1 ZINC000587621175 JK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621177 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621178 JK Annotated Anodyne Brc1ccc(Nc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621180 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(CCC#N)c2c1 ZINC000587621228 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(C)(C)C)c2c1 ZINC000587621229 JK Annotated Bother C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621239 JK Annotated Anodyne C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621241 JK Annotated Anodyne CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621244 JK Annotated Bother Brc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)cc1 ZINC000587621245 JK Annotated Anodyne Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621267 JK Annotated Anodyne Brc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)cc1 ZINC000587621275 JK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621310 JK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1Cc1ccccc1Cl ZINC000587621313 JK Annotated Mild O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621318 JK Annotated Anodyne O=C(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)F ZINC000587621323 JK Annotated Mild O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621336 JK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587621348 JK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587621349 JK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1-c1ccc(Cl)cc1 ZINC000587621351 JK Annotated Mild COC(=O)C(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCl)cc1 ZINC000587621355 JK Annotated Reactive Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621356 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621357 JK Annotated Anodyne CC(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621364 JK Annotated Anodyne CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621365 JK Annotated Anodyne O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621373 JK Annotated Anodyne Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)cc1Cl ZINC000587621374 JK Annotated Anodyne CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621377 JK Annotated Mild FC(F)(F)c1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621379 JK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)Cl)cc1 ZINC000587621383 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621390 JK Annotated Anodyne OC(c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)(C(F)(F)F)C(F)(F)F ZINC000587621391 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)c1 ZINC000587621392 JK Annotated Anodyne O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621404 JK Annotated Anodyne Oc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Br)cc2)c(O)c1 ZINC000587621430 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621433 JK Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587621441 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)cc1 ZINC000587621444 JK Annotated Anodyne C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621470 JK Annotated Anodyne C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621471 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C)c3C)c(C#N)c2c1 ZINC000587621499 JK Annotated Mild Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621505 JK Annotated Bother CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621543 JK Annotated Anodyne Brc1ccc(CCc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621549 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCl)c2c1 ZINC000587621556 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)cc(C)c3)c(C#N)c2c1 ZINC000587621559 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c([C@@H](C)C#N)c2c1 ZINC000587621582 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c([C@H](C)C#N)c2c1 ZINC000587621584 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(SC#N)c2c1 ZINC000587621587 JK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(F)cc3)c2c1 ZINC000587621604 JK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(C)cc3[N+](=O)[O-])c2c1 ZINC000587621624 JK Annotated Bother O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621627 JK Annotated Anodyne O=C(c1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621639 JK Annotated Anodyne O=C(O)c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587621650 JK Annotated Anodyne ClCCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621654 JK Annotated Reactive O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621655 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1ccc2cc(Br)ccc2c1 ZINC000587621658 JK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621659 JK Annotated Anodyne COC(=O)c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587621663 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621664 JK Annotated Anodyne Brc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccn2)cc1 ZINC000587621669 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621673 JK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)C(F)(F)F)cc1 ZINC000587621682 JK Annotated Anodyne Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587621694 JK Annotated Anodyne O=C(c1c(-c2ccc(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621705 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C)c3)c([C@@H](C)C#N)c2c1 ZINC000587621709 JK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C)c3)c([C@H](C)C#N)c2c1 ZINC000587621710 JK Annotated Mild CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621716 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621719 JK Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(Cl)ccc1Cl ZINC000587621735 JK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621744 JK Annotated Mild CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587621746 JK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 ZINC000587621749 JK Annotated Anodyne CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621774 JK Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621776 JK Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621798 JK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621799 JK Annotated Anodyne O=C(c1c(-c2cc(Cl)ccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621801 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621808 JK Annotated Anodyne Clc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)c1 ZINC000587621823 JK Annotated Anodyne COc1cc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c(OC)cc1Cl ZINC000587621825 JK Annotated Anodyne O=C(c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621834 JK Annotated Anodyne COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621837 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587621839 JK Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621840 JK Annotated Anodyne O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621842 JK Annotated Anodyne COc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)Cl)c1 ZINC000587621845 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 ZINC000587621847 JK Annotated Anodyne FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)cc1 ZINC000587621848 JK Annotated Anodyne CCCCCCCCc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)cc1 ZINC000587621854 JK Annotated Reactive COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621880 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 ZINC000587621886 JK Annotated Anodyne Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2Cl)cc1 ZINC000587621888 JK Annotated Anodyne O=C(c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)F ZINC000587621895 JK Annotated Anodyne FC(F)(Br)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1 ZINC000587621897 JK Annotated Anodyne COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587621899 JK Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621900 JK Annotated Anodyne Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587621903 JK Annotated Anodyne Cc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)c2cc(Cl)ccc2O)c1 ZINC000587621910 JK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621912 JK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621913 JK Annotated Anodyne O=C(c1c(-c2cccc3ccccc23)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621914 JK Annotated Anodyne O=C(c1c(-c2cccs2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)F ZINC000587621923 JK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621933 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621939 JK Annotated Anodyne O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621945 JK Annotated Anodyne Clc1ccc(Cc2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCc2ccccc2)cc1 ZINC000587621953 JK Annotated Anodyne Clc1nc2ccccc2n1-c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621954 JK Annotated Anodyne O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621958 JK Annotated Anodyne O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621963 JK Annotated Anodyne O=C(c1ccccc1O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621969 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(Cl)ccc1Cl ZINC000587621971 JK Annotated Anodyne COc1ccc2nc(C)c(Cc3c(C)[nH]c4c3c(Br)cc3n[nH]cc34)c(Cl)c2c1 ZINC000587621974 JK Annotated Anodyne CCc1ccc(O)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587621975 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621979 JK Annotated Mild O=C(O)CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621988 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000587621990 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621995 JK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621998 JK Annotated Anodyne Cc1ccc(O)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587621999 JK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)cc1 ZINC000587622002 JK Annotated Anodyne Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622003 JK Annotated Anodyne Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622004 JK Annotated Anodyne Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)cc1 ZINC000587622006 JK Annotated Anodyne O=C(c1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622011 JK Annotated Anodyne Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c(Cl)c1 ZINC000587622016 JK Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000587622020 JK Annotated Anodyne O=C(c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)Br ZINC000587622034 JK Annotated Anodyne O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622038 JK Annotated Anodyne O=C(O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622049 JK Annotated Anodyne O=C(O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622050 JK Annotated Anodyne Cc1ccc2nc(C)c(Cc3c(C)[nH]c4c3c(Br)cc3n[nH]cc34)c(Cl)c2c1 ZINC000587622058 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@](F)(Cl)C(F)(F)Br ZINC000587622061 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@@](F)(Cl)C(F)(F)Br ZINC000587622062 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622064 JK Annotated Anodyne CCOC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622066 JK Annotated Mild Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622068 JK Annotated Anodyne Fc1ccc(-c2c(CCCCC3OCCO3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622077 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F ZINC000587622082 JK Annotated Bother COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622089 JK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622090 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622101 JK Annotated Anodyne CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622115 JK Annotated Anodyne CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622130 JK Annotated Bother NC(=O)c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587622147 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622148 JK Annotated Anodyne COc1cccc(C(=O)c2c(C(F)(F)Cl)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587622150 JK Annotated Anodyne Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)c1Cl ZINC000587622151 JK Annotated Anodyne CSc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587622161 JK Annotated Anodyne FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCCc1nc2ccccc2[nH]1 ZINC000587622162 JK Annotated Anodyne Clc1ccc(-c2c(CCCc3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622164 JK Annotated Anodyne Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622166 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622170 JK Annotated Anodyne O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622174 JK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000587622177 JK Annotated Bother COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622179 JK Annotated Anodyne O=C(c1c(-c2ccc3ccccc3c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622180 JK Annotated Anodyne Fc1cc(Br)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl ZINC000587622183 JK Annotated Reactive O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622186 JK Annotated Mild Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2Br)cc1 ZINC000587622188 JK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Br)cc1F ZINC000587622193 JK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587622200 JK Annotated Mild O=C(c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622201 JK Annotated Anodyne Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622208 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(I)cc1 ZINC000587622216 JK Annotated Anodyne O=C(c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622223 JK Annotated Anodyne O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622227 JK Annotated Anodyne O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622228 JK Annotated Anodyne Cc1ccc(C(=O)c2c(-c3cccc(F)c3)[nH]c3c2c(Br)cc2n[nH]cc23)c(O)c1 ZINC000587622233 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622236 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622237 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622246 JK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CSc2ccccn2)cc1 ZINC000587622247 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587622250 JK Annotated Anodyne CCCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622253 JK Annotated Anodyne CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622264 JK Annotated Anodyne Cc1ccc(O)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)c2cccc(F)c2)c1 ZINC000587622271 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622272 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622278 JK Annotated Anodyne O=C(c1ccccc1C(F)(F)F)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622281 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622291 JK Annotated Anodyne O=C(c1ccccc1O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622328 JK Annotated Anodyne CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)C(=O)C1 ZINC000587622329 JK Annotated Anodyne Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622331 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000587622332 JK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)c2cccc(F)c2)c(O)c1 ZINC000587622341 JK Annotated Anodyne O=Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCC(C(F)(F)F)CC2)c[nH]1 ZINC000587622352 JK Annotated Anodyne FC(F)(F)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cnccn2)cc1 ZINC000587622361 JK Annotated Anodyne Fc1ccc(Cc2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCC2OCCO2)cc1 ZINC000587622373 JK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622377 JK Annotated Anodyne FC(F)n1c(-c2c(-c3cccs3)[nH]c3c2c(Br)cc2n[nH]cc23)nc2ccccc21 ZINC000587622398 JK Annotated Anodyne O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622399 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587622405 JK Annotated Anodyne O=C(c1c(-c2ccccc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622413 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622429 JK Annotated Anodyne CC1CCN(CCc2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587622432 JK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cc(F)c(Cl)nc1Cl ZINC000587622442 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1c(-c2ccccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622444 JK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622453 JK Annotated Anodyne O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622475 JK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000587622489 JK Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587622517 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1 ZINC000587622535 JK Annotated Mild Cc1ccccc1[C@@H](C#N)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1 ZINC000587622538 JK Annotated Mild CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622560 JK Annotated Anodyne FC(F)(F)c1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3o2)c1 ZINC000587622563 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 ZINC000587622620 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 ZINC000587622621 JK Annotated Anodyne O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622626 JK Annotated Bother CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622627 JK Annotated Anodyne O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F ZINC000587622645 JK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622650 JK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622658 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622666 JK Annotated Anodyne FC(F)(F)c1cccc(Nc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587622683 JK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCC1OCCO1 ZINC000587622692 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCC1OCCO1 ZINC000587622693 JK Annotated Anodyne CCn1c(-c2ccccc2)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c2ccccc21 ZINC000587622694 JK Annotated Mild Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587622698 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)cc1 ZINC000587622700 JK Annotated Bother Fc1ccccc1-c1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622730 JK Annotated Anodyne CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622731 JK Annotated Anodyne Fc1cccc(-c2c(-c3ccc(Cl)c(Cl)c3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587622747 JK Annotated Anodyne Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1F ZINC000587622753 JK Annotated Anodyne COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(C(F)(F)F)c1 ZINC000587622773 JK Annotated Anodyne N#Cc1ccc(-c2c(-c3cccc(C(F)(F)F)c3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622778 JK Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000587622786 JK Annotated Bother CCCc1c(-c2cc(Br)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622789 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622802 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622821 JK Annotated Anodyne O=[N+]([O-])c1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)c1 ZINC000587622912 JK Annotated Bother Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CSc2ccccc2)cc1 ZINC000587622951 JK Annotated Anodyne CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3c2c(Br)cc2n[nH]cc23)OC1 ZINC000587622973 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622978 JK Annotated Anodyne Fc1ccc(SCc2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622990 JK Annotated Anodyne CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622992 JK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623015 JK Annotated Anodyne FC(F)(F)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3o2)cc1 ZINC000587623017 JK Annotated Anodyne Cc1ccc(C)c(SCc2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2F)c1 ZINC000587623021 JK Annotated Anodyne COCCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623028 JK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000587623036 JK Annotated Clean O=C(c1cccc(C(F)(F)F)c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623037 JK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2Cl)cc1 ZINC000587623047 JK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623076 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587623087 JK Annotated Anodyne Fc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587623090 JK Annotated Anodyne O=[N+]([O-])c1ccc(CCc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587623122 JK Annotated Bother CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623129 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623132 JK Annotated Anodyne Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623134 JK Annotated Anodyne CCN(c1ccccc1C)c1c(Cc2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623135 JK Annotated Anodyne FC(F)(F)Oc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC2CCCC2)cc1 ZINC000587623137 JK Annotated Anodyne Cc1ccc(O)c(C(=O)c2c(-c3cccc(F)c3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587623164 JK Annotated Anodyne CCc1ccc(-n2c(C)cc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3C#N)c2C)cc1 ZINC000587623171 JK Annotated Mild CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623198 JK Annotated Anodyne Oc1nccc2c(Oc3c(-c4ccccc4)[nH]c4c3c(Br)cc3n[nH]cc34)cccc12 ZINC000587623202 JK Annotated Anodyne Brc1cc2n[nH]cc2c2[nH]c(-c3ccc4ccccc4c3)c(CN3CCOCC3)c12 ZINC000587623246 JK Annotated Anodyne Cc1cc(Cl)cc2c(OC(=O)Cc3ccc(CBr)cc3)c(-c3ccccc3)[nH]c12 ZINC000587623254 JK Annotated Reactive Brc1cc2n[nH]cc2c2[nH]c(-c3cc4ccccc4o3)c(CN3CCOCC3)c12 ZINC000587623268 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623294 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)C1 ZINC000587623343 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)C1 ZINC000587623347 JK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623365 JK Annotated Anodyne CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623369 JK Annotated Anodyne CCN(Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1)c1ccccc1C ZINC000587623400 JK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C)cc(Cl)cc2c1CC(=O)c1ccc(Br)cc1 ZINC000587623479 JK Annotated Anodyne CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623481 JK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3C#N)c2C)cc1 ZINC000587623511 JK Annotated Mild COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2[N+](=O)[O-])cc1 ZINC000587623513 JK Annotated Bother Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)[nH]c12 ZINC000587623522 JK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3c(C)cc(Cl)cc23)cc1 ZINC000587623548 JK Annotated Anodyne Cc1ccc(-n2c(C)cc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3C#N)c2C)cc1C ZINC000587623580 JK Annotated Mild Cn1c(-c2ccccc2)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c2ccccc21 ZINC000587623592 JK Annotated Mild COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc3ccccc3n2)cc1 ZINC000587623664 JK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1CCc1ccccc1 ZINC000587623693 JK Annotated Mild COC(=O)c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)cn1C(=O)OC(C)(C)C ZINC000587623704 JK Annotated Anodyne Cc1cc(Cl)cc2c(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000587623738 JK Annotated Bother CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623769 JK Annotated Anodyne CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623770 JK Annotated Anodyne Brc1cc2n[nH]cc2c2[nH]c(-c3ccccc3)c(-c3ccc(N4CCOCC4)cc3)c12 ZINC000587623781 JK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3o2)cc1 ZINC000587623813 JK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 ZINC000587623836 JK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587623847 JK Annotated Anodyne Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3)c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)[nH]c12 ZINC000587623943 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623965 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623969 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623971 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623972 JK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624016 JK Annotated Anodyne CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587624050 JK Annotated Anodyne CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587624137 JK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)F)[nH]c12 ZINC000587624291 JK Annotated Mild Cc1cc(Cl)cc2c(C(=O)c3cccc(OC(F)F)c3)c(-c3cccc(OC(F)F)c3)[nH]c12 ZINC000587624366 JK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624392 JK Annotated Mild Cc1cc(Cl)cc2c(Sc3ccccc3C(=O)O)c(-c3ccc(OC(F)F)cc3)[nH]c12 ZINC000587624600 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)n1 ZINC000587624665 JK Annotated Anodyne Cc1cc(Cl)cc2c(-c3nc4ccccc4c4ccccc34)c(-c3ccc(N(C)C)cc3)[nH]c12 ZINC000587624768 JK Annotated Clean Cc1cc(Cl)cc2c(C(=O)c3ccc(OC(F)F)cc3)c(-c3ccc(OC(F)F)cc3)[nH]c12 ZINC000587624820 JK Annotated Anodyne COc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587624822 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H](C(=O)O)c3ccc(C(C)C)cc3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587624889 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](C(=O)O)c3ccc(C(C)C)cc3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587624892 JK Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587624908 JK Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587624910 JK Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587624911 JK Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587624912 JK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624962 JK Annotated Mild Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(I)cc3)[nH]c12 ZINC000587625027 JK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3ccc(I)cc3)c(C(F)(F)F)[nH]c12 ZINC000587625050 JK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)cc1Cl ZINC000587625075 JK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625076 JK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625078 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3Br)c(CCl)[nH]c2c1 ZINC000587625083 JK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Br)cc3)c(CCl)[nH]c2c1 ZINC000587625086 JK Annotated Reactive COc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)ccc1Cl ZINC000587625087 JK Annotated Anodyne COCCc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625088 JK Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625090 JK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1Cc1ccccc1Cl ZINC000587625091 JK Annotated Mild CCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625096 JK Annotated Anodyne COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625097 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Oc1ccc2cc(Br)ccc2c1 ZINC000587625100 JK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625103 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587625110 JK Annotated Reactive CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625111 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625114 JK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2Br)cc1 ZINC000587625123 JK Annotated Anodyne C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625131 JK Annotated Anodyne C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625132 JK Annotated Anodyne CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccccc1Br ZINC000587625133 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625139 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1Br ZINC000587625157 JK Annotated Anodyne CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625159 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Br)cc1 ZINC000587625162 JK Annotated Anodyne Cc1c(CCc2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625170 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccn3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587625172 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587625179 JK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2cccc(F)c2)cc1 ZINC000587625180 JK Annotated Mild COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625183 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625188 JK Annotated Reactive COC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625192 JK Annotated Anodyne CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)OC1 ZINC000587625194 JK Annotated Mild O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625195 JK Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCO ZINC000587625200 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-n3c(Cl)nc4ccccc43)c(-c3ccccc3)[nH]c2c1 ZINC000587625204 JK Annotated Anodyne CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000587625208 JK Annotated Bother CCOC(=O)c1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625212 JK Annotated Anodyne Fc1ccc(-c2c(-c3ccccc3Cl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625219 JK Annotated Mild Fc1ccc(SCc2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625221 JK Annotated Mild CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625231 JK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2Sc2ccccc2)cc1 ZINC000587625241 JK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCBr)cc1 ZINC000587625242 JK Annotated Reactive CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(C#N)cc1 ZINC000587625248 JK Annotated Mild CC(C)(C)OC(=O)NCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccncc1 ZINC000587625250 JK Annotated Anodyne N#Cc1c(-c2ccccc2I)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625252 JK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CSc2ccccn2)cc1 ZINC000587625253 JK Annotated Mild CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625256 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1ncc(I)c1C ZINC000587625258 JK Annotated Anodyne Oc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(F)cc2)c(O)c1 ZINC000587625262 JK Annotated Mild N#Cc1c(-c2ccc(I)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625264 JK Annotated Mild CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625268 JK Annotated Anodyne O=C(c1ccccc1O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625276 JK Annotated Anodyne CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625281 JK Annotated Anodyne CN(C)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625283 JK Annotated Anodyne O=C(O)c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587625284 JK Annotated Anodyne COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625286 JK Annotated Mild O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625291 JK Annotated Mild COc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1OC ZINC000587625297 JK Annotated Mild O=C(O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625300 JK Annotated Anodyne Fc1cc(Br)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCl ZINC000587625301 JK Annotated Reactive COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625310 JK Annotated Mild Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1CC(F)(F)F ZINC000587625311 JK Annotated Mild O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625313 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccc(OC(F)F)c1 ZINC000587625314 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000587625315 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000587625318 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)cc1Cl ZINC000587625321 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CC3OCCCO3)c(-c3ccccc3Cl)[nH]c2c1 ZINC000587625326 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000587625329 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(Nc3ccc(Cl)cc3)c(-c3ccccc3)[nH]c2c1 ZINC000587625331 JK Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625343 JK Annotated Mild CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625344 JK Annotated Anodyne Cc1nn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1I ZINC000587625345 JK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625347 JK Annotated Mild Cc1ccc2nc(C)c(Cc3c(C)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)c(Cl)c2c1 ZINC000587625350 JK Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625351 JK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625353 JK Annotated Anodyne Fc1ccccc1Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1F ZINC000587625354 JK Annotated Mild COC(=O)C(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCl)cc1 ZINC000587625355 JK Annotated Reactive COc1ccc(Br)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)O ZINC000587625364 JK Annotated Anodyne O=C(c1c(-c2ccco2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)F ZINC000587625371 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587625375 JK Annotated Anodyne COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625378 JK Annotated Mild CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625382 JK Annotated Mild O=C(c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)Br ZINC000587625393 JK Annotated Mild O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625397 JK Annotated Reactive Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587625407 JK Annotated Mild O=C(c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625409 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(CC3OCCCO3)c(-c3cccc(Cl)c3)[nH]c2c1 ZINC000587625428 JK Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625431 JK Annotated Anodyne N#Cc1c(-c2c[nH]c3ccc(Br)cc23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625435 JK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2NC(=O)CCC(=O)O)cc1 ZINC000587625447 JK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2COc2ccccc2)cc1 ZINC000587625448 JK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(F)cc2)cc1 ZINC000587625452 JK Annotated Mild N#Cc1c(-c2cccc(I)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625453 JK Annotated Mild CCc1c(-c2ccc(Br)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625455 JK Annotated Mild O=C(c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625458 JK Annotated Mild COc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)F ZINC000587625461 JK Annotated Mild O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625464 JK Annotated Mild CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625469 JK Annotated Bother O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625474 JK Annotated Mild Fc1cccc(-c2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625475 JK Annotated Mild O=C(c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625476 JK Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625480 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(Cl)cc1Cl ZINC000587625481 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625482 JK Annotated Anodyne Cc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)c2cc(Cl)ccc2O)c1 ZINC000587625488 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(Br)cc1 ZINC000587625496 JK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)OCc1ccccc1 ZINC000587625504 JK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000587625506 JK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CSc2ccccc2)cc1 ZINC000587625507 JK Annotated Mild CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625515 JK Annotated Mild CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625522 JK Annotated Mild O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625524 JK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587625532 JK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587625536 JK Annotated Mild CCOC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625538 JK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)c2cccc(F)c2)c(O)c1 ZINC000587625539 JK Annotated Mild CCc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587625541 JK Annotated Mild Fc1cc(Cl)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccn1 ZINC000587625542 JK Annotated Mild CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625552 JK Annotated Mild COC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)OCc1ccccc1 ZINC000587625557 JK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2Cl)cc1 ZINC000587625563 JK Annotated Mild O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)cc2N1 ZINC000587625570 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(C(F)(F)F)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587625573 JK Annotated Mild CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625575 JK Annotated Mild CCCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625580 JK Annotated Mild O=C(c1cccs1)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625585 JK Annotated Mild COc1ccc(OC)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)c1 ZINC000587625587 JK Annotated Mild O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625591 JK Annotated Mild O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625594 JK Annotated Mild CCCc1c(-c2cc(Br)ccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625595 JK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625600 JK Annotated Mild COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625601 JK Annotated Mild CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587625604 JK Annotated Mild O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625609 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000587625612 JK Annotated Mild O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625613 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587625614 JK Annotated Mild O=C(c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C12CC3CC(CC(C3)C1)C2 ZINC000587625617 JK Annotated Mild O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)Cl ZINC000587625619 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000587625620 JK Annotated Mild Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625623 JK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)Cl)cc1 ZINC000587625627 JK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1c(F)cccc1F ZINC000587625635 JK Annotated Mild CCc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)s1 ZINC000587625636 JK Annotated Mild NC1CCN(Cc2c(-c3ccc(Cl)nc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587625638 JK Annotated Anodyne O=C(c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625639 JK Annotated Mild CSc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587625644 JK Annotated Mild N#Cc1cccc(-c2c(-c3ccc(Cl)nc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625647 JK Annotated Mild CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C ZINC000587625651 JK Annotated Mild CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625660 JK Annotated Anodyne CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625664 JK Annotated Mild O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625676 JK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587625677 JK Annotated Mild N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625689 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(I)cc1 ZINC000587625690 JK Annotated Anodyne O=C(c1c(-c2ccc3ccccc3c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625698 JK Annotated Mild Cc1ccc(C(=O)c2c(-c3cccc(F)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(O)c1 ZINC000587625701 JK Annotated Mild CC1CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587625708 JK Annotated Mild O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625719 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3Br)c(-c3ccccc3)[nH]c2c1 ZINC000587625729 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(Cc3ccccc3)c(C(F)(F)Br)[nH]c2c1 ZINC000587625730 JK Annotated Mild CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625732 JK Annotated Anodyne Cc1c(-c2ccc(Br)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625735 JK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625737 JK Annotated Anodyne N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625741 JK Annotated Reactive C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C1OCCO1 ZINC000587625751 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(C(F)(F)Br)[nH]c2c1 ZINC000587625753 JK Annotated Mild O=C(O)CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)c1ccc(Cl)cc1 ZINC000587625754 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625755 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000587625760 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccccc1Br ZINC000587625765 JK Annotated Anodyne Cc1cc(Br)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)O ZINC000587625766 JK Annotated Anodyne O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625767 JK Annotated Mild Cc1ccc(O)c(C(=O)c2c(-c3cccc(F)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625775 JK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(Cl)ccc1Cl ZINC000587625777 JK Annotated Anodyne NC(=O)c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587625779 JK Annotated Anodyne O=C(NC1CC1)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625782 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-n3ccnc3)c(-c3ccccc3Br)[nH]c2c1 ZINC000587625784 JK Annotated Anodyne O=C(c1ccccc1C(F)(F)F)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625787 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2N/C1=C/Cl ZINC000587625797 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2N/C1=C\Cl ZINC000587625798 JK Annotated Anodyne CC(=O)Nc1ccc(O)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)c1 ZINC000587625801 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625802 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(Cc3ccccc3Cl)c(-c3ccccc3)[nH]c2c1 ZINC000587625803 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1c(-c2ccccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625810 JK Annotated Mild Cc1ccc(O)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587625812 JK Annotated Anodyne CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625818 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625823 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(Cl)ccc1Cl ZINC000587625830 JK Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625847 JK Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625848 JK Annotated Anodyne O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625851 JK Annotated Anodyne COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625853 JK Annotated Mild O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625855 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1c[nH]c2ccc(Br)cc12 ZINC000587625858 JK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)cc1 ZINC000587625861 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587625863 JK Annotated Bother COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)c(Cl)c1 ZINC000587625865 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625869 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Br)cc3)c(C(F)(F)F)[nH]c2c1 ZINC000587625871 JK Annotated Mild COC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cccc(C(F)(F)F)c1 ZINC000587625872 JK Annotated Mild O=C(c1ccc(F)cc1)c1c(C(F)(F)Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625874 JK Annotated Mild Cc1nn(C)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)Cl ZINC000587625875 JK Annotated Mild Nc1cc(Br)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCl ZINC000587625876 JK Annotated Reactive Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625881 JK Annotated Mild O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587625887 JK Annotated Mild O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625895 JK Annotated Mild O=C(O)[C@@H]1CCCC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625897 JK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625899 JK Annotated Mild CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625900 JK Annotated Mild COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625902 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c2c1 ZINC000587625904 JK Annotated Mild COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625905 JK Annotated Mild O=C(c1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625907 JK Annotated Mild O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587625913 JK Annotated Mild FC(F)(F)c1cccc(Nc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625915 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccccc1C(F)(F)F ZINC000587625916 JK Annotated Mild O=C(c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625918 JK Annotated Mild CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)s1 ZINC000587625920 JK Annotated Mild CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625921 JK Annotated Mild CC(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587625934 JK Annotated Mild O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625937 JK Annotated Mild CCOC(=O)C(C(=O)OCC)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(F)(F)F ZINC000587625939 JK Annotated Mild COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625943 JK Annotated Mild CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625951 JK Annotated Mild COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625956 JK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Br)cc1F ZINC000587625957 JK Annotated Mild O=C(c1ccc(Br)cc1)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625958 JK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587625964 JK Annotated Mild CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625972 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587625982 JK Annotated Mild O=C(c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625985 JK Annotated Mild CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625986 JK Annotated Mild Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)[nH]c12 ZINC000587626001 JK Annotated Anodyne O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626011 JK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)cc1OC ZINC000587626014 JK Annotated Mild O=C(c1c(-c2cccc3ccccc23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587626015 JK Annotated Mild CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)OC(C)(C)C ZINC000587626019 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3nc4ccccc4[nH]3)c(-c3cccc(Cl)c3)[nH]c2c1 ZINC000587626051 JK Annotated Anodyne COC(=O)c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587626053 JK Annotated Anodyne O=C(O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626063 JK Annotated Anodyne O=C(O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626064 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587626067 JK Annotated Bother Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626070 JK Annotated Anodyne O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587626079 JK Annotated Mild O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626083 JK Annotated Anodyne FC(F)(F)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2cnccn2)cc1 ZINC000587626085 JK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)cc1 ZINC000587626091 JK Annotated Mild Cc1ccc(C)c(SCc2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2F)c1 ZINC000587626099 JK Annotated Mild CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)c1ccccc1C ZINC000587626104 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Br)cc1 ZINC000587626106 JK Annotated Anodyne O=C(NC1CC1)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)cc1 ZINC000587626110 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626112 JK Annotated Anodyne O=C(O)Cc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626113 JK Annotated Anodyne COc1cc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(OC)cc1Cl ZINC000587626116 JK Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626119 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@](F)(Cl)C(F)(F)Br ZINC000587626123 JK Annotated Mild CCOc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)cc1 ZINC000587626125 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3c(C)cc(Cl)cc23)c(C(=O)OCC)n1 ZINC000587626126 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@@](F)(Cl)C(F)(F)Br ZINC000587626128 JK Annotated Mild Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587626129 JK Annotated Anodyne CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626134 JK Annotated Mild Cc1ccc(O)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)c2cccc(F)c2)c1 ZINC000587626135 JK Annotated Mild CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626138 JK Annotated Anodyne COCCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626141 JK Annotated Mild O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626154 JK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1-c1ccccc1F ZINC000587626161 JK Annotated Mild Fc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)c1 ZINC000587626169 JK Annotated Mild COC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(F)c(F)cc1F ZINC000587626176 JK Annotated Mild CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626178 JK Annotated Anodyne Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626179 JK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626190 JK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1-c1ccc(Cl)cc1 ZINC000587626191 JK Annotated Mild CCc1c(-c2cc(Br)ccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626192 JK Annotated Mild CCOc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587626199 JK Annotated Mild O=C(c1c(-c2ccc(Cl)s2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626203 JK Annotated Mild COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626215 JK Annotated Anodyne COc1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587626221 JK Annotated Anodyne FC(F)(F)Oc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC2CCCC2)cc1 ZINC000587626226 JK Annotated Mild Fc1ccc(-c2c(CCCCC3OCCO3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626228 JK Annotated Mild O=C(O)c1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1 ZINC000587626235 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3c(C)cc(Cl)cc23)c(C(=O)OCC)n1 ZINC000587626239 JK Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)n1 ZINC000587626244 JK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)C(F)(F)F ZINC000587626250 JK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2Sc2nncs2)cc1 ZINC000587626254 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Cl)cc3)c(CCCc3ccccc3)[nH]c2c1 ZINC000587626255 JK Annotated Anodyne O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)F ZINC000587626256 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587626260 JK Annotated Reactive CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1cccc(Br)c1 ZINC000587626262 JK Annotated Anodyne N#Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587626263 JK Annotated Mild CCOC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626272 JK Annotated Mild C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1 ZINC000587626274 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1 ZINC000587626279 JK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1C ZINC000587626280 JK Annotated Mild Cc1cc(Cl)cc2c(C#N)c(-c3cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c3C)[nH]c12 ZINC000587626288 JK Annotated Mild O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626293 JK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(OC(F)F)cc1 ZINC000587626294 JK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2OCc2ccccc2)cc1 ZINC000587626295 JK Annotated Mild COc1ccc(Cl)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(F)(F)F ZINC000587626296 JK Annotated Mild CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626300 JK Annotated Mild O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626302 JK Annotated Mild CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626303 JK Annotated Mild Fc1ccc(Cc2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCC2OCCO2)cc1 ZINC000587626304 JK Annotated Mild CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626307 JK Annotated Anodyne COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626315 JK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626321 JK Annotated Anodyne Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626322 JK Annotated Anodyne O=Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCC(C(F)(F)F)CC2)c[nH]1 ZINC000587626323 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(Nc3ccc(Br)cc3)c(-c3ccccc3)[nH]c2c1 ZINC000587626348 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626353 JK Annotated Mild Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626354 JK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1Cl ZINC000587626355 JK Annotated Anodyne N#Cc1ccc2[nH]cc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3CCCl)c2c1 ZINC000587626359 JK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2c(CCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587626363 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccccc1 ZINC000587626365 JK Annotated Mild Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587626375 JK Annotated Anodyne O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626377 JK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626384 JK Annotated Mild Cc1cc(Cl)cc2c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c(-c3ccccc3)[nH]c12 ZINC000587626392 JK Annotated Anodyne C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626394 JK Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626400 JK Annotated Mild C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626411 JK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626413 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626415 JK Annotated Mild N#Cc1ccc(-c2c(-c3cccc(C(F)(F)F)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626476 JK Annotated Mild O=C(/C=C\c1ccccc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626481 JK Annotated Mild O=C(/C=C/c1ccccc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626482 JK Annotated Mild CCn1ncc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)c1C ZINC000587626485 JK Annotated Mild CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626487 JK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(F)ccc1F ZINC000587626501 JK Annotated Mild CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)c(C)n1 ZINC000587626506 JK Annotated Mild O=C(c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626512 JK Annotated Mild O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626514 JK Annotated Mild O=C(c1c(-c2cccs2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)F ZINC000587626518 JK Annotated Mild Cc1ccccc1[C@@H](C#N)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccccc1 ZINC000587626519 JK Annotated Mild Oc1c(-c2ccc(I)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626520 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626522 JK Annotated Mild CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626542 JK Annotated Mild O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626545 JK Annotated Mild CC(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626556 JK Annotated Mild O=C(c1ccc(C(F)(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626562 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3cccc(Br)c3)c(CCl)[nH]c2c1 ZINC000587626566 JK Annotated Reactive O=C(c1ccc(Cl)s1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626568 JK Annotated Mild O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626573 JK Annotated Reactive O=C(c1ccc(F)cc1)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626574 JK Annotated Mild NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587626583 JK Annotated Anodyne CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(F)cc1F ZINC000587626585 JK Annotated Mild COc1ccc2nc(C)c(Cc3c(C)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)c(Cl)c2c1 ZINC000587626586 JK Annotated Anodyne Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626595 JK Annotated Mild Cc1cc(F)ccc1NC(=O)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626599 JK Annotated Mild OC(c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)(C(F)(F)F)C(F)(F)F ZINC000587626600 JK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)F ZINC000587626602 JK Annotated Mild O=C(c1ccccc1O)c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626604 JK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587626605 JK Annotated Mild CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626607 JK Annotated Mild Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1F ZINC000587626610 JK Annotated Mild CC(C)(C)OC(=O)NCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCC1OCCO1 ZINC000587626621 JK Annotated Anodyne O=C(c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587626624 JK Annotated Mild Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626636 JK Annotated Mild CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626643 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587626646 JK Annotated Mild COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626650 JK Annotated Mild CC(C)(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626652 JK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Br)cc1 ZINC000587626657 JK Annotated Anodyne O=C(c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626658 JK Annotated Mild CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626662 JK Annotated Mild O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626689 JK Annotated Reactive COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626699 JK Annotated Mild O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626702 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(N3CCOCC3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587626703 JK Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1C ZINC000587626706 JK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)cc1 ZINC000587626716 JK Annotated Anodyne O=C(c1c(-c2cc3ccccc3o2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626726 JK Annotated Mild CCN(c1ccccc1C)c1c(Cc2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626739 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626744 JK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccc(Cl)c1 ZINC000587626749 JK Annotated Anodyne CC(C)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1Cl ZINC000587626751 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626755 JK Annotated Mild CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Br)cc1 ZINC000587626757 JK Annotated Anodyne Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626761 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000587626774 JK Annotated Anodyne N#Cc1c(-c2cc3cc(Br)ccc3o2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626776 JK Annotated Mild CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626781 JK Annotated Mild CC(=O)c1c(-c2cc(Br)ccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626788 JK Annotated Anodyne CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1Br ZINC000587626797 JK Annotated Anodyne Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626802 JK Annotated Mild CCc1c(-c2ccc(Br)c(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626803 JK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626806 JK Annotated Anodyne Fc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626808 JK Annotated Mild CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626810 JK Annotated Anodyne COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626813 JK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626819 JK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)cc1 ZINC000587626841 JK Annotated Anodyne COC(=O)c1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626845 JK Annotated Anodyne CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Br)cc1 ZINC000587626855 JK Annotated Anodyne CC(C)c1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626857 JK Annotated Anodyne CCCCc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626860 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626861 JK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626885 JK Annotated Mild CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c(C)cc(Cl)cc23)c2ccccc21 ZINC000587626887 JK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c(C)cc(Cl)cc23)c2ccccc21 ZINC000587626888 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(OC)cc1F ZINC000587626897 JK Annotated Mild CCN(Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1)c1ccccc1C ZINC000587626916 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 ZINC000587626933 JK Annotated Mild CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)C(=O)C1 ZINC000587626934 JK Annotated Mild CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626952 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CCCl)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587626957 JK Annotated Reactive Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626962 JK Annotated Bother CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626974 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587626975 JK Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626981 JK Annotated Anodyne Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626983 JK Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587627021 JK Annotated Bother Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587627022 JK Annotated Bother Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587627023 JK Annotated Bother Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587627024 JK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3c(C)cc(Cl)cc23)n1 ZINC000587627130 JK Annotated Anodyne Cc1cc(Cl)cc2c(-n3c(=O)c(=O)n(C)c4ccccc43)c(-c3ccc4c(c3)CCC4)[nH]c12 ZINC000587627335 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3c(C)cc(Cl)cc23)n1 ZINC000587627479 JK Annotated Anodyne O=[N+]([O-])c1ccc(CCc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587627518 JK Annotated Bother O=C(O)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccn2)cc1 ZINC000587627530 JK Annotated Anodyne CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627532 JK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCCCC2)cc(C)c1O ZINC000587627534 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000587627538 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627541 JK Annotated Bother CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587627542 JK Annotated Bother CN1CCN(c2ccc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3C#N)cc2)CC1 ZINC000587627548 JK Annotated Mild CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C ZINC000587627586 JK Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)c(=O)c2c1 ZINC000587627587 JK Annotated Anodyne O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627595 JK Annotated Bother COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc3ccccc3n2)cc1 ZINC000587627598 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cnn(-c2ccccc2)c1C ZINC000587627601 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627609 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)C1 ZINC000587627612 JK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)C1 ZINC000587627613 JK Annotated Mild CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627620 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCN1C(=O)c2ccccc2C1=O ZINC000587627629 JK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc2ccccc2n1 ZINC000587627642 JK Annotated Anodyne CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627652 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1c1c(C2CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627656 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1c(C2CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627657 JK Annotated Anodyne CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627661 JK Annotated Anodyne CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627662 JK Annotated Anodyne CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627663 JK Annotated Anodyne Oc1nccc2c(Oc3c(-c4ccccc4)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)cccc12 ZINC000587627666 JK Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627673 JK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2C1=O ZINC000587627692 JK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1[N+](=O)[O-] ZINC000587627704 JK Annotated Bother CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587627740 JK Annotated Anodyne Nc1ccccc1C(=O)Oc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627744 JK Annotated Anodyne O=C(c1cc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587627749 JK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587627750 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627758 JK Annotated Anodyne O=[N+]([O-])c1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)c1 ZINC000587627764 JK Annotated Bother CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)OCC)c1C ZINC000587627771 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CN3CCOCC3)c(-c3ccc4ccccc4c3)[nH]c2c1 ZINC000587627800 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3[nH]2)cc1 ZINC000587627814 JK Annotated Bother Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000587627828 JK Annotated Anodyne NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587627829 JK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(Nc3ccc(Cl)cc3)c2c1Cl ZINC000587627831 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000587627834 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1[N+](=O)[O-] ZINC000587627916 JK Annotated Bother O=C(CCc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)ON1C(=O)CCC1=O ZINC000587627935 JK Annotated Mild O=[N+]([O-])c1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3[nH]2)c1 ZINC000587627955 JK Annotated Bother CCOC(=O)CCc1[nH]c2cc(Cl)c(F)cc2c1CC(=O)c1ccc(Br)cc1 ZINC000587627995 JK Annotated Anodyne O=C(c1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587628014 JK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628043 JK Annotated Anodyne CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628082 JK Annotated Anodyne CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628102 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)CC1 ZINC000587628111 JK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000587628128 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000587628129 JK Annotated Anodyne Cc1ccc(-n2c(C)cc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3C#N)c2C)cc1C ZINC000587628130 JK Annotated Mild CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587628142 JK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628146 JK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2[C@H](C(=O)O)n2cncn2)cc1 ZINC000587628150 JK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2[C@@H](C(=O)O)n2cncn2)cc1 ZINC000587628154 JK Annotated Anodyne Cn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)cc1/C=C/C(=O)NO ZINC000587628159 JK Annotated Bother Cn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)cc1/C=C\C(=O)NO ZINC000587628176 JK Annotated Bother Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587628209 JK Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587628212 JK Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587628213 JK Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587628216 JK Annotated Anodyne Nc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587628226 JK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628256 JK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628257 JK Annotated Anodyne O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628263 JK Annotated Reactive Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-n2ccnc2C(C)C)cc1C ZINC000587628274 JK Annotated Anodyne Cc1c(C(=O)c2c(-c3cnn(C)c3C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cnn1C ZINC000587628299 JK Annotated Anodyne CC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1C(=O)c2ccccc2C1=O ZINC000587628300 JK Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628306 JK Annotated Anodyne O=C(c1cc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587628324 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628345 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628369 JK Annotated Anodyne NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628372 JK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2cc(Cl)c(F)cc12 ZINC000587628373 JK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628385 JK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628424 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587628432 JK Annotated Anodyne O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628444 JK Annotated Reactive Cn1c(-c2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)nc2ccccc21 ZINC000587628449 JK Annotated Anodyne CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587628450 JK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cn(C)c2ccccc12 ZINC000587628496 JK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000587628514 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CN3CCOCC3)c(-c3cc4ccccc4o3)[nH]c2c1 ZINC000587628555 JK Annotated Anodyne CCc1ccc(-n2c(C)cc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3C#N)c2C)cc1 ZINC000587628583 JK Annotated Mild COC(=O)c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C)cn1C(=O)OC(C)(C)C ZINC000587628606 JK Annotated Anodyne CCn1nc(C)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(=O)OC)c1C ZINC000587628614 JK Annotated Anodyne O=C(c1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587628647 JK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628660 JK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(F)c(Cl)c2c1CC(=O)c1ccc(Br)cc1 ZINC000587628678 JK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587628705 JK Annotated Bother CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628713 JK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1CCc1ccccc1 ZINC000587628735 JK Annotated Mild Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628745 JK Annotated Anodyne CCn1c(-c2ccccc2)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c2ccccc21 ZINC000587628773 JK Annotated Mild Cn1c(-c2ccccc2)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c2ccccc21 ZINC000587628781 JK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(N4CCOCC4)cc3)c(-c3ccccc3)[nH]c2c1 ZINC000587628801 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587628806 JK Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587628879 JK Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587628880 JK Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587628881 JK Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587628882 JK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628930 JK Annotated Bother Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2ccc(F)c(Cl)c12 ZINC000587628933 JK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629047 JK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587629067 JK Annotated Anodyne Fc1cc2c(Nc3ccc(Cl)cc3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000587629076 JK Annotated Anodyne O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)Nc1ccc(Cl)cc1 ZINC000587629100 JK Annotated Anodyne O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12)Nc1ccc(Cl)cc1 ZINC000587629186 JK Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629294 JK Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629328 JK Annotated Anodyne O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629338 JK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629363 JK Annotated Anodyne O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629442 JK Annotated Anodyne Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629546 JK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629581 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629582 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629583 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629584 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629760 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629761 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629762 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629763 JK Annotated Anodyne O=C(c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629794 JK Annotated Mild CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629808 JK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F ZINC000587629837 JK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629859 JK Annotated Mild CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629930 JK Annotated Mild O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630048 JK Annotated Anodyne COP(=O)(Cc1[nH]c2cc(Cl)c(F)cc2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587630114 JK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F ZINC000587630118 JK Annotated Mild O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587630168 JK Annotated Anodyne Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587630208 JK Annotated Mild COP(=O)(Cc1[nH]c2ccc(F)c(Cl)c2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587630223 JK Annotated Anodyne O=S(=O)(Oc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F ZINC000587630247 JK Annotated Unstable O=S(=O)(Oc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F ZINC000587630376 JK Annotated Unstable CN(C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2nc3ccccc3c3ccccc23)cc1 ZINC000587630640 JK Annotated Clean O=C(c1c(-c2ccc(I)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F ZINC000587630656 JK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587630816 JK Annotated Mild O=C(c1c(-c2ccc(I)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F ZINC000587630876 JK Annotated Anodyne CN(C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2nc3ccccc3c3ccccc23)cc1 ZINC000587631010 JK Annotated Clean CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631058 JK Annotated Mild Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587631360 JK Annotated Bother CCCCCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2OC)c2ccccc21 ZINC000587631361 JK Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587631362 JK Annotated Bother Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587631363 JK Annotated Bother Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587631364 JK Annotated Bother Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587631376 JK Annotated Mild Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587631419 JK Annotated Bother Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587631420 JK Annotated Bother Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587631421 JK Annotated Bother Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587631422 JK Annotated Bother CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cc(Cl)c(F)cc23)c(C(=O)OCC)n1 ZINC000587631435 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587631447 JK Annotated Anodyne CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3ccc(F)c(Cl)c23)c2ccccc21 ZINC000587631450 JK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3ccc(F)c(Cl)c23)c2ccccc21 ZINC000587631455 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587631512 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587631513 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2ccc(F)c(Cl)c2c1CCCC1OCCO1 ZINC000587631522 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587631538 JK Annotated Anodyne COc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587631717 JK Annotated Anodyne Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3ccc(F)c(Cl)c23)c2ccccc21 ZINC000587631738 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587631757 JK Annotated Mild CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4ccc(F)c(Cl)c4c3-c3ccccc3)cc2)CCC1 ZINC000587631828 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4cc(Cl)c(F)cc4c3-c3ccccc3)cc2)CCC1 ZINC000587631889 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cc(Cl)c(F)cc2c1CCCC1OCCO1 ZINC000587631925 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2[nH]c3cc(Cl)c(F)cc3c2C(=O)c2ccccc2)CC1 ZINC000587631960 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)c(C(=O)OCC)n1 ZINC000587631961 JK Annotated Anodyne COc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587632016 JK Annotated Anodyne Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 ZINC000587632135 JK Annotated Anodyne CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 ZINC000587632174 JK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 ZINC000587632175 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)c(C(=O)OCC)n1 ZINC000587632187 JK Annotated Anodyne COc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587632222 JK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4ccc(F)c(Cl)c34)c12 ZINC000587632240 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)CC1 ZINC000587632307 JK Annotated Anodyne COc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587632416 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)n1 ZINC000587632480 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc(F)c12 ZINC000587632482 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3ccc(F)c(Cl)c23)c(C(=O)OCC)n1 ZINC000587632531 JK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 ZINC000587632581 JK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 ZINC000587632582 JK Annotated Anodyne O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2cc(F)ccc12 ZINC000587632630 JK Annotated Anodyne O=C(c1cc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587632653 JK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cc(Cl)c(F)cc34)c12 ZINC000587632840 JK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3cc(F)ccc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587632943 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc(F)ccc23)CC1 ZINC000587632995 JK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 ZINC000587633044 JK Annotated Anodyne O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2cccc(F)c12 ZINC000587633047 JK Annotated Anodyne O=C(c1cc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587633132 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cccc(F)c23)CC1 ZINC000587633162 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)n1 ZINC000587633240 JK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3cccc(F)c23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587633276 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(F)ccc12 ZINC000587633284 JK Annotated Anodyne COc1cc(-c2[nH]c3cc(F)ccc3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587633521 JK Annotated Anodyne OC(Cc1[nH]c2cccc(F)c2c1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000587633580 JK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587633730 JK Annotated Mild CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587633984 JK Annotated Mild CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587634009 JK Annotated Mild Cc1[nH]c2cccc(F)c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587634011 JK Annotated Mild COc1ccc(-c2[nH]c3cc(F)ccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587634189 JK Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587634225 JK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587634229 JK Annotated Mild OC(Cc1[nH]c2cc(F)ccc2c1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000587634268 JK Annotated Mild COc1ccc(-c2[nH]c3cccc(F)c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587634542 JK Annotated Anodyne Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)CC1 ZINC000587634652 JK Annotated Anodyne Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)CC1 ZINC000587634751 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4cccc(F)c4c3-c3ccccc3)cc2)CCC1 ZINC000587635712 JK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cccc(F)c23)c2ccccc21 ZINC000587636127 JK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cccc(F)c23)c2ccccc21 ZINC000587636128 JK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc(F)ccc23)c2ccccc21 ZINC000587636292 JK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc(F)ccc23)c2ccccc21 ZINC000587636293 JK Annotated Anodyne COc1cccc(-c2[nH]c3cccc(F)c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587636961 JK Annotated Anodyne O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637004 JK Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)F)[nH]c12 ZINC000587637034 JK Annotated Mild O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637036 JK Annotated Anodyne COc1cccc(-c2[nH]c3cc(F)ccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587637240 JK Annotated Anodyne O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637306 JK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637313 JK Annotated Anodyne O=C(O)c1cccc2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587637326 JK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4c(C(=O)O)cccc34)c12 ZINC000587637861 JK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc([C@@H](C)CC)cc2c1CC(=O)c1ccc(Br)cc1 ZINC000587637902 JK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc([C@H](C)CC)cc2c1CC(=O)c1ccc(Br)cc1 ZINC000587637905 JK Annotated Anodyne COc1cccc(-c2[nH]c3c(C(=O)O)cccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587637928 JK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637999 JK Annotated Anodyne COc1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587638083 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(Br)cc4c3Cl)c2c1 ZINC000587638213 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(Br)cc4c3Cl)c2c1 ZINC000587638214 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 ZINC000587638265 JK Annotated Reactive CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 ZINC000587638266 JK Annotated Reactive CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Nc3ccc(Cl)cc3)c2c1 ZINC000587638411 JK Annotated Anodyne COc1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587638432 JK Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587638442 JK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638456 JK Annotated Mild O=C(O)c1cccc2c(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587638492 JK Annotated Anodyne NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638520 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Nc3ccc(Cl)cc3)c2c1 ZINC000587638612 JK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3ccc([C@H](C)CC)cc23)cc1 ZINC000587638732 JK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3ccc([C@@H](C)CC)cc23)cc1 ZINC000587638742 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4c(C(=O)O)cccc4c3-c3ccccc3)cc2)CCC1 ZINC000587638763 JK Annotated Clean O=C(O)c1cccc2c(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000587638855 JK Annotated Bother CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccccc3C(N)=O)c2c1 ZINC000587638907 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccccc3C(N)=O)c2c1 ZINC000587638919 JK Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587639172 JK Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587639173 JK Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587639174 JK Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587639175 JK Annotated Anodyne O=C(O)c1cccc2c(-c3ccc(Cl)cc3)c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)[nH]c12 ZINC000587639225 JK Annotated Clean CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587639304 JK Annotated Anodyne CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587639305 JK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587639357 JK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587639358 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000587639383 JK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000587639384 JK Annotated Bother CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c(C(=O)O)cccc23)c2ccccc21 ZINC000587639395 JK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c(C(=O)O)cccc23)c2ccccc21 ZINC000587639396 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3cc(Cl)cc(Cl)c3N)c2c1 ZINC000587639557 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3cc(Cl)cc(Cl)c3N)c2c1 ZINC000587639558 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(I)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587639907 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(I)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587639909 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 ZINC000587639940 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 ZINC000587639948 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(-c3c(F)cccc3Cl)c2c1 ZINC000587639966 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(-c3c(F)cccc3Cl)c2c1 ZINC000587639972 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(CI)c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587640064 JK Annotated Reactive CC[C@H](C)c1ccc2[nH]c(CI)c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587640067 JK Annotated Reactive CC[C@H](C)c1ccc2[nH]c(CP(=O)(OC)OC)c(Oc3cccc(C(F)(F)F)c3)c2c1 ZINC000587640356 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(CP(=O)(OC)OC)c(Oc3cccc(C(F)(F)F)c3)c2c1 ZINC000587640359 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(I)cc3)c2c1 ZINC000587640517 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(I)cc3)c2c1 ZINC000587640518 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587640614 JK Annotated Bother CC[C@H](C)c1ccc2[nH]c(C)c([C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587640616 JK Annotated Bother CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587640618 JK Annotated Bother CC[C@H](C)c1ccc2[nH]c(C)c([C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587640621 JK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc([C@@H](C)CC)cc23)n1 ZINC000587640714 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc([C@H](C)CC)cc23)n1 ZINC000587640717 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cc(OC)c(OC)c(OC)c3)c(-c3nc4ccccc4n3C)c2c1 ZINC000587641036 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cc(OC)c(OC)c(OC)c3)c(-c3nc4ccccc4n3C)c2c1 ZINC000587641044 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3ccc([C@H](C)CC)cc23)n1 ZINC000587641066 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3ccc([C@@H](C)CC)cc23)n1 ZINC000587641069 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000587641078 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000587641079 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587641273 JK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587641277 JK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)c3cccc(OC(F)F)c3)c2c1 ZINC000587641450 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)c3cccc(OC(F)F)c3)c2c1 ZINC000587641451 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c2c1 ZINC000587641565 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c2c1 ZINC000587641566 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587641639 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c([C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587641640 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587641641 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c([C@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587641642 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587641926 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c([C@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587641933 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587641934 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c([C@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587641935 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587642192 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587642193 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(OS(=O)(=O)C(F)(F)F)c2c1 ZINC000587642289 JK Annotated Unstable CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(OS(=O)(=O)C(F)(F)F)c2c1 ZINC000587642290 JK Annotated Unstable CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642304 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642306 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642307 JK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642308 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3ccc([C@@H](C)CC)cc23)n1 ZINC000587642323 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3ccc([C@H](C)CC)cc23)n1 ZINC000587642325 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3cccc(F)c3)c2c1 ZINC000587642442 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3cccc(F)c3)c2c1 ZINC000587642449 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587642471 JK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587642480 JK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccc(F)cc3)c2c1 ZINC000587642488 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccc(F)cc3)c2c1 ZINC000587642490 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3ccc([C@@H](C)CC)cc23)c(C(=O)OCC)n1 ZINC000587642556 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3ccc([C@H](C)CC)cc23)c(C(=O)OCC)n1 ZINC000587642557 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3ccc([C@@H](C)CC)cc23)c(C(=O)OCC)n1 ZINC000587642660 JK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3ccc([C@H](C)CC)cc23)c(C(=O)OCC)n1 ZINC000587642662 JK Annotated Anodyne CCCCCn1cc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2-c2ccccc2Cl)c2ccccc21 ZINC000587642681 JK Annotated Anodyne CCCCCn1cc(-c2[nH]c3ccc([C@H](C)CC)cc3c2-c2ccccc2Cl)c2ccccc21 ZINC000587642685 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c2c1 ZINC000587642697 JK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c2c1 ZINC000587642698 JK Annotated Mild CCCCCn1cc(-c2[nH]c3ccc([C@H](C)CC)cc3c2-c2ccccc2OC)c2ccccc21 ZINC000587642782 JK Annotated Anodyne CCCCCn1cc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2-c2ccccc2OC)c2ccccc21 ZINC000587642789 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587642835 JK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c3C)c(C#N)c2c1 ZINC000587642836 JK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587642837 JK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c3C)c(C#N)c2c1 ZINC000587642839 JK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643003 JK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643006 JK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587643125 JK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587643128 JK Annotated Mild NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643201 JK Annotated Bother O=C(c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587643246 JK Annotated Bother CC[C@H](C)c1ccc2[nH]c([C@H]3CCCN3C(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587643361 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c([C@H]3CCCN3C(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587643367 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(Sc3ccccc3C(=O)O)c2c1 ZINC000587643402 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(Sc3ccccc3C(=O)O)c2c1 ZINC000587643405 JK Annotated Anodyne O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643645 JK Annotated Reactive CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587643681 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587643682 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccccc3F)c2c1 ZINC000587643980 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccccc3F)c2c1 ZINC000587643981 JK Annotated Anodyne NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644090 JK Annotated Bother O=C(c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587644108 JK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)CCC4)c(-n3c(=O)c(=O)n(C)c4ccccc43)c2c1 ZINC000587644119 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)CCC4)c(-n3c(=O)c(=O)n(C)c4ccccc43)c2c1 ZINC000587644122 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cccc(OC)c3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587644211 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cccc(OC)c3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587644212 JK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587644213 JK Annotated Bother CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587644303 JK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c([C@]3(O)C(=O)N(CC)c4ccccc43)c2c1 ZINC000587644311 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c([C@@]3(O)C(=O)N(CC)c4ccccc43)c2c1 ZINC000587644312 JK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c([C@@]3(O)C(=O)N(CC)c4ccccc43)c2c1 ZINC000587644313 JK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c([C@]3(O)C(=O)N(CC)c4ccccc43)c2c1 ZINC000587644314 JK Annotated Anodyne O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644344 JK Annotated Reactive O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587644369 JK Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587644414 JK Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587644415 JK Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587644416 JK Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587644417 JK Annotated Bother CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587644491 JK Annotated Bother O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644587 JK Annotated Bother O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587644705 JK Annotated Mild O=C(c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644752 JK Annotated Bother O=C(c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644776 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644855 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644856 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644857 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644858 JK Annotated Bother COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644890 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645042 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645043 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645044 JK Annotated Bother CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645045 JK Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587645100 JK Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587645101 JK Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587645102 JK Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587645103 JK Annotated Bother O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645105 JK Annotated Bother COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645160 JK Annotated Bother O=C(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645290 JK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645324 JK Annotated Mild O=C(c1c(-c2ccc(I)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645488 JK Annotated Bother O=C(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645535 JK Annotated Mild O=[N+]([O-])c1ccc2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)[nH]c2c1 ZINC000587645721 JK Annotated Bother O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645746 JK Annotated Bother O=C(c1c(-c2ccc(I)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645751 JK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c12 ZINC000587645840 JK Annotated Bother O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646118 JK Annotated Bother O=C(CCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000587646262 JK Annotated Bother O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646339 JK Annotated Bother O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646446 JK Annotated Bother COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587646554 JK Annotated Bother COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587646559 JK Annotated Bother O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646616 JK Annotated Bother O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646637 JK Annotated Bother CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646929 JK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647265 JK Annotated Mild COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587647914 JK Annotated Bother Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cc([N+](=O)[O-])ccc34)c12 ZINC000587648337 JK Annotated Bother COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648601 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587648609 JK Annotated Mild COc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587648703 JK Annotated Bother CCc1ccc(O)c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587648739 JK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c2c1 ZINC000587648805 JK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587648806 JK Annotated Mild CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 ZINC000587649123 JK Annotated Bother CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 ZINC000587649124 JK Annotated Bother COc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587649363 JK Annotated Bother CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 ZINC000587649450 JK Annotated Bother CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 ZINC000587649451 JK Annotated Bother Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649561 JK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cccc([N+](=O)[O-])c34)c12 ZINC000587649659 JK Annotated Bother Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587649758 JK Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587649769 JK Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587649771 JK Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587649772 JK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3ccccc3)c2c1 ZINC000587649967 JK Annotated Mild CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3)c2c1 ZINC000587650052 JK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650133 JK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650246 JK Annotated Mild Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650413 JK Annotated Mild Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587650447 JK Annotated Mild Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F ZINC000587650476 JK Annotated Bother CS(=O)(=O)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587650490 JK Annotated Mild CCCCCCCCCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587650658 JK Annotated Mild CCCCCCCCCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587650661 JK Annotated Mild O=C(c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650959 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000587651018 JK Annotated Clean O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587651094 JK Annotated Anodyne O=C(c1cccc(COc2cccc(Br)c2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651223 JK Annotated Anodyne O=C(c1ccc(COc2c(Cl)cccc2Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651289 JK Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587651363 JK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651510 JK Annotated Anodyne COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1COc1cccc(Cl)c1Cl ZINC000587651585 JK Annotated Anodyne O=C(c1cccc(COc2ccc(Br)cc2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651590 JK Annotated Anodyne O=C(c1cccc(COc2cccc(Cl)c2Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651623 JK Annotated Anodyne O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)n1ncc2ccc(Cl)cc2c1=O ZINC000587651626 JK Annotated Anodyne O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)n1ncc2ccc(Cl)cc2c1=O ZINC000587652079 JK Annotated Bother Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)n4ncc5ccc(Cl)cc5c4=O)(C3)C1)C2 ZINC000587652667 JK Annotated Anodyne O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652947 JK Annotated Anodyne C[C@@H](Oc1cccc(Br)c1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652966 JK Annotated Anodyne C[C@H](Oc1cccc(Br)c1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652971 JK Annotated Anodyne O=C(c1sc2cc(Br)ccc2c1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587652974 JK Annotated Anodyne COc1cc(OC)c(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Cl ZINC000587653003 JK Annotated Anodyne Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653048 JK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653049 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587653050 JK Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cc(Br)cc1Cl ZINC000587653055 JK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc(C)c(Cl)c1C ZINC000587653094 JK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc(C)c(Cl)c1C ZINC000587653096 JK Annotated Anodyne O=C(COc1cc(Cl)ccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653118 JK Annotated Anodyne Cc1cc(Br)ccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653325 JK Annotated Anodyne Cc1cc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C(C)C)cc1Cl ZINC000587653335 JK Annotated Anodyne CCc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587653350 JK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3s2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653393 JK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653417 JK Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(C)c1Cl ZINC000587653477 JK Annotated Anodyne Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(C)c1Cl ZINC000587653480 JK Annotated Anodyne O=C(c1ccc2cc(Br)ccc2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653522 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2Cl)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653539 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653572 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653793 JK Annotated Anodyne COc1c(Cl)cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Cl ZINC000587653802 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Br)ccc1Br ZINC000587653811 JK Annotated Anodyne O=C(c1ccc(Br)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653819 JK Annotated Anodyne O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12)n1ncc2ccc(Cl)cc2c1=O ZINC000587653823 JK Annotated Anodyne O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653824 JK Annotated Anodyne O=C(Nc1c(Cl)cc(Cl)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653848 JK Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C1(c2ccc(Br)cc2)CC1 ZINC000587653854 JK Annotated Anodyne O=C(c1[nH]c2ccccc2c1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653856 JK Annotated Anodyne O=C(c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653908 JK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2-c2ccccc2)cc1 ZINC000587653987 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)nnc2-c2ccccc2)cc1 ZINC000587654125 JK Annotated Anodyne O=C1c2cccc3cccc(c23)N1Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654159 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)c2cccnc12 ZINC000587654160 JK Annotated Anodyne C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654175 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654176 JK Annotated Anodyne Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587654184 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Br)cccc1Br ZINC000587654211 JK Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587654237 JK Annotated Anodyne O=C(c1cc(Br)c(Cl)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654238 JK Annotated Anodyne Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654307 JK Annotated Anodyne Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654309 JK Annotated Anodyne COc1ccc(Br)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587654369 JK Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1ccccc1 ZINC000587654529 JK Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C1(c2cccc(Br)c2)CC1 ZINC000587654542 JK Annotated Anodyne O=C(COc1cc(Cl)c(Cl)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654565 JK Annotated Anodyne COc1cc(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(OC)cc1Cl ZINC000587654592 JK Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654607 JK Annotated Anodyne C[C@H](Oc1ccc(Br)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654608 JK Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654625 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654627 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587654629 JK Annotated Anodyne O=C(c1ccc(Br)c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654634 JK Annotated Anodyne O=C(CSc1nnc(SCc2ccccc2Cl)s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654652 JK Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1Cl ZINC000587654654 JK Annotated Anodyne Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1Cl ZINC000587654655 JK Annotated Anodyne O=C(c1ccc(Cl)c(Br)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654741 JK Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c(C)c1Cl ZINC000587654743 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587654748 JK Annotated Anodyne Cc1ccc(Cl)c(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587654752 JK Annotated Anodyne Cc1ccc(Cl)c(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587654754 JK Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)Nc1ccccc1Cl ZINC000587654774 JK Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000587654840 JK Annotated Anodyne O=C(Cc1csc(-c2ccc(F)cc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655295 JK Annotated Anodyne O=C(CNc1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655300 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587655302 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587655312 JK Annotated Anodyne O=C(c1ccccc1OCc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655332 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2cc(Cl)ccc2nc1Cl ZINC000587655346 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587655392 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587655402 JK Annotated Anodyne O=C(COc1ccccc1C(F)(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655409 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587655414 JK Annotated Mild Nc1cc(-c2ccc(F)cc2)sc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655423 JK Annotated Anodyne O=C(c1ccc(COc2ccc(F)cc2F)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655444 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(C(F)(F)F)nc2ccccc12 ZINC000587655449 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000587655457 JK Annotated Mild CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cn1 ZINC000587655476 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 ZINC000587655489 JK Annotated Anodyne Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587655490 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000587655511 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000587655515 JK Annotated Anodyne O=C(Cc1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655522 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587655535 JK Annotated Anodyne O=C(c1sc2cc(F)ccc2c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655545 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655547 JK Annotated Mild O=C(c1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655560 JK Annotated Anodyne O=C(c1ccc(-c2ccc(F)cc2)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655563 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000587655576 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655609 JK Annotated Anodyne Cc1cccc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c1 ZINC000587655612 JK Annotated Anodyne Cc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)c(C)c1 ZINC000587655622 JK Annotated Anodyne O=C(c1cc(C2CC2)nc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655631 JK Annotated Anodyne Cc1cccc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c1C ZINC000587655653 JK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655663 JK Annotated Anodyne CCC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587655668 JK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655680 JK Annotated Anodyne C[C@@H](Oc1ccc2ccccc2c1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655681 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000587655713 JK Annotated Anodyne O=C(C(c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655719 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccccc1C(F)(F)F ZINC000587655724 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000587655726 JK Annotated Anodyne O=C(c1sccc1OCc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655727 JK Annotated Anodyne C[C@@H](Oc1ccc(F)cc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655733 JK Annotated Anodyne C[C@H](Oc1ccc(F)cc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655736 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587655762 JK Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000587655771 JK Annotated Anodyne Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655790 JK Annotated Anodyne Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655795 JK Annotated Anodyne O=C(Cn1nc(C(F)F)c(Cl)c1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655803 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587655804 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000587655806 JK Annotated Anodyne O=C(c1cc2c(ccc3ccccc32)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655820 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587655850 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000587655852 JK Annotated Anodyne O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655886 JK Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(OCC)c1OCC ZINC000587655918 JK Annotated Anodyne Cc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c(C)c1 ZINC000587655936 JK Annotated Anodyne Cc1ccc(C)c(NC(=O)CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587655977 JK Annotated Anodyne Cc1ccc(NC(=O)CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000587655981 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587655991 JK Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587655993 JK Annotated Anodyne C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587655994 JK Annotated Anodyne COc1cccc(-c2cc(C(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587656011 JK Annotated Anodyne CCn1ncc(-c2cc(C(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1C ZINC000587656016 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587656028 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587656029 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000587656037 JK Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656045 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587656046 JK Annotated Anodyne Cc1cc(Cl)ccc1OCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 ZINC000587656075 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000587656080 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000587656087 JK Annotated Mild Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)c(C)c1Cl ZINC000587656106 JK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000587656109 JK Annotated Clean O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c(C(F)(F)F)cccc2s1 ZINC000587656120 JK Annotated Anodyne Cn1c2ccccc2c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc21 ZINC000587656155 JK Annotated Anodyne CCc1ccc2c(Cl)c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 ZINC000587656157 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 ZINC000587656158 JK Annotated Anodyne Cc1cc(Cl)ccc1OCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656162 JK Annotated Anodyne O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C1(c2cccc(Br)c2)CC1 ZINC000587656167 JK Annotated Anodyne C[C@@H](Sc1nc2ccccc2s1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656171 JK Annotated Anodyne C[C@H](Sc1nc2ccccc2s1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656172 JK Annotated Anodyne Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)cc1Br ZINC000587656225 JK Annotated Anodyne O=C(Nc1c(Cl)cc(Cl)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656226 JK Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc(C)c1Cl ZINC000587656247 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587656248 JK Annotated Anodyne Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc(C)c1Cl ZINC000587656250 JK Annotated Anodyne Cc1ccc2c(Cl)c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 ZINC000587656280 JK Annotated Anodyne C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656281 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656282 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656288 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656289 JK Annotated Anodyne Cc1ccc(-c2cc(C(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1C ZINC000587656340 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587656346 JK Annotated Anodyne O=C(c1cccc(OC(F)(F)C(F)F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656348 JK Annotated Anodyne O=C(CCn1nc(C(F)(F)F)cc1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656350 JK Annotated Anodyne O=C(CNc1cccc(C(F)(F)F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656355 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587656357 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000587656420 JK Annotated Mild C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656421 JK Annotated Anodyne C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656422 JK Annotated Anodyne O=C(COc1ccccc1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656464 JK Annotated Anodyne O=C(c1ccccc1Oc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656470 JK Annotated Anodyne O=C(c1ccccc1OCCOc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656519 JK Annotated Anodyne CC(C)(C)OC(=O)NCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656528 JK Annotated Anodyne O=C(Cc1nc(-c2ccccc2)cs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656545 JK Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC ZINC000587656575 JK Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1Cl ZINC000587656578 JK Annotated Anodyne CC(C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 ZINC000587656598 JK Annotated Anodyne O=C(c1ccc(Br)c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656602 JK Annotated Anodyne O=C(c1cc(-c2cccc(Br)c2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656611 JK Annotated Anodyne O=C(c1sc2ccccc2c1-n1cccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656613 JK Annotated Anodyne COc1cc(OC)cc(C(C)(C)OC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587656619 JK Annotated Anodyne O=C(c1cc(-c2ccc(Br)cc2)on1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656623 JK Annotated Anodyne CCc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 ZINC000587656647 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2ccc3ccccc3c2)n1 ZINC000587656650 JK Annotated Anodyne O=C(c1sc2cc(Cl)ccc2c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656657 JK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656670 JK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1-c1ccc(Cl)cc1 ZINC000587656673 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656678 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656679 JK Annotated Anodyne O=C(c1sc2ccccc2c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656683 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587656694 JK Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)ccc1Cl ZINC000587656715 JK Annotated Anodyne O=C(COc1ccc2oc3c(c2c1)CCCC3)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656786 JK Annotated Anodyne O=C(Nc1ccc(-c2ccccc2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656794 JK Annotated Anodyne Cc1ccc(C)c(OCc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c1 ZINC000587656803 JK Annotated Anodyne CC(C)c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(O)c(C(C)C)c1 ZINC000587656813 JK Annotated Anodyne Cc1ccc(NC(=O)CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C ZINC000587656816 JK Annotated Anodyne O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656817 JK Annotated Anodyne COc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 ZINC000587656821 JK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(OC)c1 ZINC000587656839 JK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(OC)c1 ZINC000587656840 JK Annotated Mild Cc1cccc(C)c1OCc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656859 JK Annotated Anodyne Cc1ccc(C)c(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c1 ZINC000587656871 JK Annotated Anodyne CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656879 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656882 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656883 JK Annotated Anodyne CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656884 JK Annotated Anodyne O=C(c1[nH]c2ccccc2c1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656898 JK Annotated Anodyne O=C(COc1cc(Cl)c(Cl)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656903 JK Annotated Anodyne Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656914 JK Annotated Anodyne Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656915 JK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)ccc1Cl ZINC000587656919 JK Annotated Anodyne CC(C)(C)[C@H]1CCc2sc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2C1 ZINC000587656930 JK Annotated Anodyne CC(C)(C)[C@@H]1CCc2sc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2C1 ZINC000587656931 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2sc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc12 ZINC000587656933 JK Annotated Anodyne O=C(c1ccc(Br)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656935 JK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2cc(-c3ccccc3)sc2n1 ZINC000587656941 JK Annotated Anodyne CCc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c3c(sc2n1)CCC3 ZINC000587656957 JK Annotated Anodyne O=C(c1cccc(COc2ccccc2Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656962 JK Annotated Anodyne O=C(c1cc2c(s1)-c1ccccc1CC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656973 JK Annotated Anodyne Cc1ccc(Cl)c(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 ZINC000587656976 JK Annotated Anodyne O=C(c1cc2c(s1)CCCCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656983 JK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)n1-c1ccccc1 ZINC000587657005 JK Annotated Clean O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000587657031 JK Annotated Anodyne Cc1ccc(OCc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c(C)c1 ZINC000587657131 JK Annotated Anodyne C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657142 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657143 JK Annotated Anodyne O=C([C@@H]1Cc2c(ccc3ccccc23)O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657146 JK Annotated Anodyne O=C([C@H]1Cc2c(ccc3ccccc23)O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657147 JK Annotated Anodyne O=C(c1cc(-c2ccco2)nc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657162 JK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657164 JK Annotated Anodyne C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657165 JK Annotated Anodyne O=C(Nc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1)C1CCCCC1 ZINC000587657175 JK Annotated Anodyne O=C(c1ccc2cc(Br)ccc2c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657183 JK Annotated Anodyne O=C(c1cc2ccc(Cl)cc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657197 JK Annotated Anodyne O=C(c1ccc(Cl)c(Br)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657203 JK Annotated Anodyne Cc1ccc(Cl)c(OCc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c1 ZINC000587657205 JK Annotated Anodyne O=C(c1cc(Br)c(Br)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657210 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2sc(-c3ccccc3)cc12 ZINC000587657213 JK Annotated Anodyne C[C@H](Oc1ccc(Br)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657226 JK Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657227 JK Annotated Anodyne O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C1(c2ccc(Br)cc2)CC1 ZINC000587657232 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(Br)ccc1Br ZINC000587657239 JK Annotated Anodyne O=C(c1cc2cc(Br)ccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657242 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587657247 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c(Cl)ccc(Cl)c2s1 ZINC000587657250 JK Annotated Anodyne O=C(c1cc2c(s1)-c1ccccc1OC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657255 JK Annotated Anodyne O=C(c1sc2cccc(Cl)c2c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657258 JK Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657275 JK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657276 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)cc(Br)cc1Cl ZINC000587657289 JK Annotated Anodyne Cn1nc(C2CC2)c2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(C3CC3)nc21 ZINC000587657345 JK Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1OCCC(C)C ZINC000587657359 JK Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1OCC ZINC000587657370 JK Annotated Anodyne Cc1ccc(C)n1-c1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657387 JK Annotated Clean C[C@H](Oc1cccc(Br)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657441 JK Annotated Anodyne C[C@@H](Oc1cccc(Br)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657442 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccccc2nc1Cc1ccccc1 ZINC000587657464 JK Annotated Anodyne O=C(CSc1nc2ccccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657465 JK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc(C)c(Br)c1C ZINC000587657467 JK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc(C)c(Br)c1C ZINC000587657468 JK Annotated Anodyne Cc1ccc(Cl)c(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)c1 ZINC000587657469 JK Annotated Anodyne COc1ccc(Cl)c2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587657471 JK Annotated Anodyne O=C(c1cccc(COc2cccc(Cl)c2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657478 JK Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c(C)c1Cl ZINC000587657480 JK Annotated Anodyne O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657486 JK Annotated Anodyne Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C(C)C)cc1Cl ZINC000587657488 JK Annotated Anodyne O=C(c1cc2c(Cl)cccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657489 JK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c3c(sc2n1)CCCC3 ZINC000587657491 JK Annotated Anodyne Cc1ccc(Cl)c(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c1 ZINC000587657506 JK Annotated Anodyne O=C(c1ccc(COc2cccc(Cl)c2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657511 JK Annotated Anodyne Cc1ccc(-c2csc3ncnc(-n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)c23)cc1 ZINC000587657519 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657544 JK Annotated Anodyne O=C(COc1ccc(Cl)cc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657550 JK Annotated Anodyne O=C(CSc1cccc2cccnc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657579 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Br)cccc1Br ZINC000587657586 JK Annotated Anodyne O=C(COc1ccc(Br)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657623 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cc(Cl)ccc1Cl ZINC000587657626 JK Annotated Anodyne Cc1ccc(COc2ccsc2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657651 JK Annotated Anodyne O=C([C@H](Sc1ccccc1)c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657655 JK Annotated Anodyne O=C([C@@H](Sc1ccccc1)c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657656 JK Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657688 JK Annotated Anodyne Cc1ccc(S(=O)(=O)c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)cc1 ZINC000587657718 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c(Br)cccc2s1 ZINC000587657756 JK Annotated Anodyne O=C(c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657785 JK Annotated Anodyne Cc1cc(Cl)ccc1OCn1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587657791 JK Annotated Anodyne O=C(CNc1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657847 JK Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)n1 ZINC000587657855 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000587657857 JK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587657858 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587657864 JK Annotated Anodyne COc1cccc(-c2cc(C(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 ZINC000587657885 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587657887 JK Annotated Anodyne CCn1ncc(-c2cc(C(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1C ZINC000587657911 JK Annotated Anodyne O=C(c1cc(-c2cccs2)nc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657913 JK Annotated Anodyne Cc1scc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1-c1ccccc1 ZINC000587657940 JK Annotated Anodyne CCn1ncc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1C ZINC000587657942 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587657955 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000587657958 JK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 ZINC000587657962 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cccc(Br)c1 ZINC000587658026 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000587658071 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587658084 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000587658093 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587658106 JK Annotated Bother O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000587658107 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587658114 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000587658116 JK Annotated Mild O=C(c1ccc(COCC(F)(F)C(F)F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658128 JK Annotated Anodyne O=C(Cc1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658137 JK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000587658148 JK Annotated Clean O=C(CSc1cc(Cl)ccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658203 JK Annotated Anodyne CCc1sc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Br ZINC000587658206 JK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587658229 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587658240 JK Annotated Anodyne Nc1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(-c2ccc(Cl)cc2)s1 ZINC000587658266 JK Annotated Anodyne COc1ccc(-c2cc(N)c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)s2)cc1 ZINC000587658270 JK Annotated Anodyne O=C(c1cccc(OC(F)(F)C(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658305 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587658306 JK Annotated Anodyne Nc1cc(-c2ccc(F)cc2)sc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658308 JK Annotated Anodyne O=C(CSc1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658320 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587658321 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587658323 JK Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587658327 JK Annotated Anodyne C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587658328 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587658334 JK Annotated Anodyne COc1ccccc1-c1cc(C(F)(F)F)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587658345 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587658348 JK Annotated Anodyne O=C(Cn1nc(C(F)F)c(Cl)c1C1CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658357 JK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658363 JK Annotated Mild O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587658364 JK Annotated Anodyne O=C(c1csc(-c2cccs2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658416 JK Annotated Anodyne Cc1ccc(C)c(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)c1 ZINC000587658426 JK Annotated Anodyne Nc1cc(-c2ccccc2)sc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658430 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1c(Cl)cccc1Cl ZINC000587658451 JK Annotated Anodyne Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658464 JK Annotated Anodyne O=C(CCn1nc(C(F)(F)F)cc1C1CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658527 JK Annotated Anodyne O=C(c1sc2cc(F)ccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658534 JK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587658553 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000587658556 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000587658586 JK Annotated Anodyne Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)s1 ZINC000587658621 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 ZINC000587658631 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587658640 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587658642 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587658644 JK Annotated Mild O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000587658646 JK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 ZINC000587658652 JK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 ZINC000587658653 JK Annotated Mild O=C(c1ccc(COc2ccc(F)cc2Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658655 JK Annotated Anodyne O=C(c1cc2ccc(C(F)(F)F)cc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658656 JK Annotated Anodyne Cc1ccc(-c2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)csc2C)cc1 ZINC000587658751 JK Annotated Anodyne Cc1ccc(-c2ccsc2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587658762 JK Annotated Anodyne C[C@@H](NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1Cl ZINC000587658766 JK Annotated Anodyne C[C@H](NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccc(Cl)cc1Cl ZINC000587658767 JK Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)cc1C ZINC000587658790 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc(Cl)cc1Cl ZINC000587658843 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587658857 JK Annotated Anodyne Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587658871 JK Annotated Anodyne O=C(c1sccc1OCc1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658886 JK Annotated Anodyne O=C(Cc1csc(-c2ccc(F)cc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658888 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000587658942 JK Annotated Anodyne O=C(c1ccc(-c2ccc(Cl)c(F)c2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658957 JK Annotated Anodyne O=C(c1ccccc1OCc1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658964 JK Annotated Anodyne Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587658980 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587658996 JK Annotated Anodyne Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658999 JK Annotated Anodyne Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659002 JK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NC(c1ccccc1)c1ccccc1 ZINC000587659009 JK Annotated Anodyne Cc1ccc(-c2cc(C(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1C ZINC000587659089 JK Annotated Anodyne O=C(c1cccc(COCC(F)(F)C(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659114 JK Annotated Anodyne C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659121 JK Annotated Anodyne C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659122 JK Annotated Anodyne O=C(c1cccc(COc2ccc(F)cc2F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659179 JK Annotated Anodyne O=C(CSCc1ccccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659200 JK Annotated Anodyne O=C(c1cccnc1SCCC(F)=C(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659224 JK Annotated Anodyne O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659228 JK Annotated Anodyne C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659238 JK Annotated Anodyne C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659240 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659244 JK Annotated Anodyne C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659245 JK Annotated Anodyne O=C(c1ccc(COc2ccc(F)cc2F)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659264 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000587659269 JK Annotated Mild O=C(Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1)C1CCCCC1 ZINC000587659673 JK Annotated Anodyne COc1cc(OC)cc(C(C)(C)OC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587659676 JK Annotated Anodyne COc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659680 JK Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1OCCC(C)C ZINC000587659691 JK Annotated Anodyne O=C(COc1ccc2oc3c(c2c1)CCCC3)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659701 JK Annotated Anodyne Cc1cccc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c1C ZINC000587659827 JK Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)OCCCO3)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659829 JK Annotated Anodyne COc1ccc2cc(OCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ccc2c1 ZINC000587659854 JK Annotated Anodyne O=C(COc1ccccc1Cc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659867 JK Annotated Anodyne Cc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c(C)c1 ZINC000587659868 JK Annotated Anodyne O=C(c1ccccc1OCCOc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659890 JK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659920 JK Annotated Anodyne O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659927 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)cc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587659966 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4c(c3)OCCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587659969 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587659970 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587659993 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cnc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660017 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660030 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660035 JK Annotated Anodyne O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660045 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660046 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc4ncccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660064 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587660076 JK Annotated Anodyne CC(C)(c1ccccc1)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660086 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660090 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587660096 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587660106 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660117 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660118 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccncc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660120 JK Annotated Anodyne Cc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c([N+](=O)[O-])c1 ZINC000587660122 JK Annotated Bother Cc1cccc(C)c1OCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660143 JK Annotated Anodyne CCCCc1ccccc1-n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587660147 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NC3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660158 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660164 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660166 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660173 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660184 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccc(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660198 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NN)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660202 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660208 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587660221 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN(CC)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587660236 JK Annotated Anodyne CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587660237 JK Annotated Anodyne CCCC[C@H](CC)C(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587660245 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(F)cc(F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660264 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587660273 JK Annotated Anodyne CCCCCCC(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587660276 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660279 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccncc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660280 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660289 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660290 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2c(Br)cccc2s1 ZINC000587660297 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660302 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660341 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660361 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(F)c(F)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660377 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NC(c1ccccc1)c1ccccc1 ZINC000587660388 JK Annotated Anodyne O=C(c1sccc1OCc1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660419 JK Annotated Anodyne O=C(c1cc(-c2cccs2)nc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660423 JK Annotated Anodyne COc1ccc(-c2ccnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587660426 JK Annotated Anodyne Cc1noc2nc(-c3cccs3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587660427 JK Annotated Anodyne Nc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(-c2ccc(Cl)cc2)s1 ZINC000587660435 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660439 JK Annotated Anodyne O=C(c1sc2ccccc2c1-n1cccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660450 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660453 JK Annotated Anodyne COc1ccc(-c2cc(N)c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)s2)cc1 ZINC000587660461 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660463 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccnc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660466 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660477 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)oc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660489 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660507 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587660523 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660525 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(NN)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660527 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660529 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660536 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660542 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660567 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660570 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660576 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCCCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660580 JK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)ccc1[N+](=O)[O-] ZINC000587660601 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660602 JK Annotated Anodyne O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660605 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660620 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660629 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660655 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660663 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660664 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587660680 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660687 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660694 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660699 JK Annotated Anodyne O=C(c1cc(-c2ccco2)nc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660712 JK Annotated Anodyne CC(C)c1ccc(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587660721 JK Annotated Anodyne Cc1ccc(C)c(OCc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c1 ZINC000587660731 JK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 ZINC000587660739 JK Annotated Anodyne O=C(c1cc2c(s1)-c1ccccc1CC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660835 JK Annotated Anodyne O=C(c1cc2c(s1)-c1ccccc1OC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660872 JK Annotated Anodyne CC(C)(C)[C@@H]1CCc2sc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2C1 ZINC000587660892 JK Annotated Anodyne CC(C)(C)[C@H]1CCc2sc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2C1 ZINC000587660893 JK Annotated Anodyne CCc1sc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Br ZINC000587660936 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660940 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660961 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660968 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660970 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660972 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3C(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587660983 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587660986 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)ccc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587660997 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(=O)O)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661002 JK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)nn(-c3ccccc3)c2n1 ZINC000587661010 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661018 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@@H]3CCCC[C@H]3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661019 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661025 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661035 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661046 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccnnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661049 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(=O)O)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661051 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661069 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3coc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661074 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cncc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661086 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCc3ccncc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661095 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccnc3C3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661097 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(C)cccc3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587661101 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661106 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661108 JK Annotated Anodyne O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661129 JK Annotated Anodyne O=C(c1sccc1OCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661186 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1cccc(Br)c1 ZINC000587661190 JK Annotated Anodyne O=C(c1sc2cc(Cl)ccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661195 JK Annotated Anodyne O=C(c1ccc(COc2ccc3ccccc3c2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661231 JK Annotated Anodyne CCc1ccc(-c2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cs2)cc1 ZINC000587661266 JK Annotated Anodyne Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661270 JK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c1 ZINC000587661296 JK Annotated Anodyne O=C(c1ccccc1OCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661297 JK Annotated Anodyne O=C([C@H](Sc1ccccc1)c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661314 JK Annotated Anodyne O=C([C@@H](Sc1ccccc1)c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661317 JK Annotated Anodyne C[C@@H](NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccc(Cl)cc1Cl ZINC000587661343 JK Annotated Anodyne C[C@H](NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccc(Cl)cc1Cl ZINC000587661345 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587661387 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ncccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661391 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661395 JK Annotated Anodyne COc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 ZINC000587661401 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587661406 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661408 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661409 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661411 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccoc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661413 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(O)cc(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661421 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)c(C)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661428 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)c(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661435 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587661436 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000587661452 JK Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c3ccccc3n2)cn1 ZINC000587661457 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3CO)c(=O)c3ccccc23)c(O)c1 ZINC000587661464 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)cc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661469 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)cc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661479 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(C)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661502 JK Annotated Anodyne Cc1cccc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c1 ZINC000587661505 JK Annotated Anodyne Cc1ccc(-c2noc(-c3cccnc3-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587661511 JK Annotated Anodyne CC(C)(C)CC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661512 JK Annotated Anodyne Cc1ccc(C)c(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c1 ZINC000587661516 JK Annotated Anodyne O=C(c1cc(C2CC2)nc2onc(C3CC3)c12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661525 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661551 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccnc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661554 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3OCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661574 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661575 JK Annotated Anodyne O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661590 JK Annotated Bother CC(C)(C)c1ccc(-c2sc(N)nc2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661626 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587661650 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661676 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661740 JK Annotated Anodyne O=C(CSc1cc(Cl)ccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661745 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cnccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661748 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N)c(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661751 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3oc(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661764 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661767 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661770 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661784 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(C(=O)O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661785 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661790 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661792 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661793 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661803 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(N(C)C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661804 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ncccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661812 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661814 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(C(=O)O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661827 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cncnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661835 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587661844 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ncoc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661850 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661861 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661865 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587661866 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661873 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661876 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(C)cc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661892 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587661901 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(OCC)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661913 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)nc(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661915 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccoc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661919 JK Annotated Anodyne CC(C)(C)c1ccc(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 ZINC000587661929 JK Annotated Anodyne C=C1CC(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)C1 ZINC000587661954 JK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(C(=O)N=c3cc[nH]cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661980 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)O)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662002 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662006 JK Annotated Anodyne O=C(c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662047 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662055 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(F)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662077 JK Annotated Anodyne O=C(c1sc2cccc(Cl)c2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662110 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662129 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662132 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)cc1 ZINC000587662133 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662176 JK Annotated Anodyne CCc1ccc2c(Cl)c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 ZINC000587662186 JK Annotated Anodyne Cc1ccc(-c2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)csc2C)cc1 ZINC000587662199 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662221 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662248 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncncc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662255 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cnnc(O)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662266 JK Annotated Anodyne O=C(c1cc2cc(Br)ccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662348 JK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2sc(-c3ccccc3)cc12 ZINC000587662364 JK Annotated Anodyne Cc1ccc(COc2ccsc2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587662374 JK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587662385 JK Annotated Anodyne Cn1c2ccccc2c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc21 ZINC000587662387 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(N)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662390 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662402 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662467 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662489 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662494 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(F)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662495 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662497 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662501 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662510 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662514 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662519 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(F)c(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662520 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)OC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662522 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)OC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662523 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662562 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662576 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662605 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662608 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc(Cl)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587662616 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cnc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662617 JK Annotated Anodyne Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2cc(-c3ccccc3)sc2n1 ZINC000587662627 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662630 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662632 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662635 JK Annotated Anodyne CCCCCC(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587662655 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662659 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662661 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)cc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662663 JK Annotated Anodyne CCCCCCCC(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587662665 JK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662671 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCO)c(=O)c3ccccc23)c(O)c1 ZINC000587662699 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662714 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662732 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662736 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662739 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662748 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662757 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662760 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662803 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccnc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662834 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccncc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662856 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662863 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662927 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccncc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663057 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663059 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(OC)ncc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663068 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663080 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663091 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587663099 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Cl)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663124 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663125 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(Cl)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587663139 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663175 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663187 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663190 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663197 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccnc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663203 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663205 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663220 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cncc(Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663225 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663251 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663267 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663274 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663290 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663293 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2sc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc12 ZINC000587663295 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663312 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663367 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663377 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3cnc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663396 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC3CCNCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663412 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4nccn4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663465 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(C)n[nH]c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663475 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663513 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663560 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663561 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663620 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663724 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663748 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663767 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663776 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663779 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C4CC4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663785 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccncc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663791 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663797 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663798 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663809 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4c3cnn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663813 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663819 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663924 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663925 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663932 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663940 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663941 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663992 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664062 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664064 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc4c(nn3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587664088 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccn4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664097 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cc(C)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664098 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c4ccc(OC)cc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664155 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664177 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664179 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]c4c3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587664182 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664202 JK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(CC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664214 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664224 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664247 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)cc(C4CC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664256 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664262 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664275 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)cc(Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664324 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-c4ccccc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664325 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664332 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664344 JK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nc(C4CC4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664345 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664352 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc(Cl)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664375 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664383 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664397 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664404 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587664415 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664418 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664431 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4cc(Cl)ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664437 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664450 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664451 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664452 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664453 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664463 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664472 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664475 JK Annotated Anodyne C=C(C)CNC(=S)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587664507 JK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664533 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c4cc(C)cc(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664605 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4c(C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664645 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4c(C)cc(C)c(O)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664653 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccccn4)nc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664679 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587664695 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587664697 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(OC)cc4cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664704 JK Annotated Anodyne CCc1cc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc(-c2ccccn2)n1 ZINC000587664705 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cccc(OC)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664706 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664720 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664722 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664723 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664725 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(-c4ccccc4)nc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664755 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3scnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664799 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(-c4cc(C)ccc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664816 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C(F)(F)F)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587664825 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664855 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664859 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664863 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664873 JK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664877 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(Cl)c(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664878 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664879 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664883 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc4c(C)c(Cl)ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664886 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664897 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664901 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664902 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664910 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664914 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3(c4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664915 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664920 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664924 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664934 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(COC)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665068 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665069 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4ccccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665071 JK Annotated Anodyne CCN(CC)c1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665072 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665077 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4ccc(C)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665084 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4ccccc4cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587665085 JK Annotated Anodyne CCCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665088 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665092 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665093 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665103 JK Annotated Anodyne CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665116 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665124 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(C)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665125 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665126 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665127 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665128 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCS)c(=O)c3ccccc23)c(O)c1 ZINC000587665129 JK Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665137 JK Annotated Anodyne CCCCNC(=S)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587665155 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4c(C)ccc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665157 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(-c4ccc(C)c(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665158 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc(-c4ccccc4O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665162 JK Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)n1 ZINC000587665173 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccc4cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665183 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665184 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(C)(C)C)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665186 JK Annotated Anodyne CCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665190 JK Annotated Anodyne CCCCCNC(=S)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587665198 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665202 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587665222 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665227 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665228 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665233 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665237 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c4cc(Cl)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665240 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665243 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665244 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCSC)c(=O)c3ccccc23)c(O)c1 ZINC000587665263 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSC)c(=O)c3ccccc23)c(O)c1 ZINC000587665299 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665331 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665332 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587665339 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665340 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cl)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665370 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665375 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665391 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Br)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665419 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665421 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665428 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665439 JK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ncnc4c3oc3ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665450 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC4CCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665452 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(-c4ccc(C)cc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665465 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665476 JK Annotated Anodyne CCc1ccc(-c2cnnc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)n2)cc1 ZINC000587665477 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccncc4)nc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665484 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665487 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c4ccc(C)c(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665504 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(O)c(C(=O)O)cc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665508 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCC3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665582 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cccnc4)nc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665591 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665598 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665614 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc4sccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665675 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-c4ccc(Cl)cc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665698 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665701 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665712 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665713 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665730 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3cc(OC)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665739 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4sccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665744 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665745 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665749 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc(Cl)c3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665757 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665762 JK Annotated Anodyne C=CCNC(=S)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587665774 JK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(SC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665780 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)cc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665787 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)cc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665791 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665808 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665823 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4ccsc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665825 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(C)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665833 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665834 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)c(O)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665837 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665852 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4cc(OC)ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665925 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-c4ccc(C)cc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665926 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665931 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc4c(n3)-c3ccccc3CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665934 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665935 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665958 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc4c(C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666006 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc4c(C(C)C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666007 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccccc4OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666008 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666015 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666016 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666017 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666018 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N=[N+]=[N-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666021 JK Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OCC(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666023 JK Annotated Anodyne CCCCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666034 JK Annotated Anodyne CCCCCC1CCC(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)CC1 ZINC000587666040 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3oc4ccccc4c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666041 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587666063 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c4cccc(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666072 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4ccc(C)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666079 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666102 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(C)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666118 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H](C)C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666125 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@H](C)C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666127 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3c(F)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666134 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666144 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccsc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666155 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCO[C@@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666159 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666163 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)c(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666165 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cncc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666187 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666193 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)ccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666198 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666227 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666231 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4cc(Cl)ccc4cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666242 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-c4ccccc4F)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666271 JK Annotated Anodyne CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666278 JK Annotated Anodyne CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666280 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(Cl)cc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666289 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666294 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccc(F)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666296 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(Cl)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666329 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccsc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666340 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666347 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666386 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(C(=O)O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666402 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc4c(C)ccc(Cl)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587666407 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666423 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(SC#N)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666486 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587666500 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587666502 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666509 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666579 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666590 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666592 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666635 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666647 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666780 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cc(F)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666792 JK Annotated Anodyne CC[C@H](C)c1ccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666800 JK Annotated Anodyne CC[C@@H](C)c1ccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666801 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666827 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)N3CCSCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666837 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(C4CC4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666887 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666889 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666893 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666898 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(OC(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666908 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666924 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666927 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3snnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666930 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666942 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(F)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666959 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3c(C)cc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666969 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666970 JK Annotated Anodyne C=CCCCCCCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587666971 JK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(-c3cc(SC)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666973 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccsc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667000 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667088 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-n4cccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667195 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(Cl)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667281 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667286 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cscn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667303 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667307 JK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCC)c(=O)c3ccccc23)c(O)c1 ZINC000587667309 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667348 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667349 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(F)c(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667358 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667359 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667374 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667382 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)c(F)cc(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667392 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667396 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(F)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667400 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667425 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667426 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667429 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(OC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667432 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587667435 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667479 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3-n3cccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667501 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4ccccc4c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667547 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCSc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667550 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667551 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667552 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667557 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667558 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667569 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CC34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667595 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cccc(F)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667608 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(OCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667610 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667615 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3c(C)cc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667623 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(OC)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667626 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667627 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667628 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(CCc3c[nH]c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667698 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667699 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667769 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667770 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667793 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667796 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667797 JK Annotated Anodyne CC[C@H](C)c1ccccc1OCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667801 JK Annotated Anodyne CC[C@@H](C)c1ccccc1OCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667802 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667808 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667821 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667839 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667842 JK Annotated Anodyne CCCCn1c(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc2ccccc21 ZINC000587667848 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)cc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667851 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667856 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(F)cc(F)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667864 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667868 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667973 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667974 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C(F)F)cc(C4CC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667985 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccccc3OC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587667995 JK Annotated Anodyne CCCOc1ccccc1C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668001 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(F)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668031 JK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)c1ccccc1 ZINC000587668038 JK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)c1ccccc1 ZINC000587668039 JK Annotated Anodyne CCCn1c(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc2ccccc21 ZINC000587668098 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cncc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668117 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668119 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668120 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668130 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(Br)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668131 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3OC(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668133 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668139 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668150 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668154 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668167 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)cc(C(=O)O)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668178 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4ccc(Cl)cc4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668180 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc4c(C)c(Cl)ccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668183 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668187 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)c(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668189 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587668200 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc4c(C)ccc(Cl)c34)c(=O)c3ccccc23)cc1OCC ZINC000587668225 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)cc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668227 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3c(Cl)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668235 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668252 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668253 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668254 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668255 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc(C)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668256 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587668270 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668278 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668293 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668295 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(=O)O)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668301 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668308 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668309 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cl)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668310 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668317 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587668325 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4ccccc4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668339 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668345 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668346 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OC(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668349 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668351 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3oc4ccccc4c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668357 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)cc(Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668371 JK Annotated Anodyne CCCOc1ccc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587668372 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587668375 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(N(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668376 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668378 JK Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)n1 ZINC000587668400 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668416 JK Annotated Anodyne CCc1cccc(C)c1NC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668419 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4sc(C)c(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587668426 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc(-c4ccccc4O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668435 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(C(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668439 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cncc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668440 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cccs4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587668445 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668452 JK Annotated Bother CCOc1ccc(-c2nn(C(=O)C3(c4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668456 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668479 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(C)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668480 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccncc4)nc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668484 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668490 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccc(Cl)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668520 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668521 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668536 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587668563 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668565 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587668570 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccccc4OC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668572 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-n4cccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668578 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(Cl)cc4o3)c(=O)c3ccccc23)cc1OCC ZINC000587668588 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4ccccc4[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587668590 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668594 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cccc(OC)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668597 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668598 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](CC)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668603 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668607 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(CC)nc(-c4ccccn4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668610 JK Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587668625 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(F)cc(F)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587668644 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4c(C(C)C)cccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668653 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(N(CC)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668664 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cccc(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668666 JK Annotated Anodyne CCc1cc2c(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)ncnc2s1 ZINC000587668686 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(Cl)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668691 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668708 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(F)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587668720 JK Annotated Anodyne CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668757 JK Annotated Anodyne CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668759 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)cc(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668769 JK Annotated Anodyne CCc1cccc2sc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)nc12 ZINC000587668773 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587668777 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cccc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668778 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668779 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4ccccc4c3O)c(=O)c3ccccc23)cc1OCC ZINC000587668780 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668790 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4ccccc4F)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668800 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc4ccccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587668801 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(SC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668803 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3c(C)cc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668804 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4c(c3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587668812 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(OC)cc4cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668819 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668824 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4ccc(C)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587668841 JK Annotated Anodyne C=CCOc1ccc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587668853 JK Annotated Mild CCOc1ccc(-c2nn(C(=O)c3cc(Cl)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668862 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(-c4ccc(C)c(C)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668869 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4cc(OC)ccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668873 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Cl)ccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587668877 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccccn4)nc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668888 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(Cl)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668896 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn(C)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668903 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cccnc4)nc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668909 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)c4cccc(C)c4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668910 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668914 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4ccc(C)cc4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668915 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc(-c4ccccn4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668916 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668921 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668925 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668930 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668941 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)cc(C4CC4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668942 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668945 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc(OC(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668974 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668978 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(Cl)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668979 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c[nH]c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668994 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccccc4cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669000 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669001 JK Annotated Anodyne CCCCn1c(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)nc2ccccc21 ZINC000587669030 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C4CC4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669039 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(-c4ccccc4)n3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669040 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cccs4)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587669057 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669082 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669084 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669090 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(Cl)c(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669092 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(C(C)(C)Br)(C(C)(C)Br)N1 ZINC000587669098 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(C(C)(C)Br)(C(C)(C)Br)N1 ZINC000587669101 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4scc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587669102 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669114 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669120 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4cc(Cl)ccc4cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669128 JK Annotated Anodyne CCCCc1ccc2nc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)sc2c1 ZINC000587669138 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4c(C)csc34)c(=O)c3ccccc23)cc1OCC ZINC000587669161 JK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669162 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669167 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669168 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669171 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nc4ccccc4[nH]c3=S)c(=O)c3ccccc23)cc1OCC ZINC000587669173 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc4c3CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587669175 JK Annotated Anodyne CCc1sc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1C ZINC000587669185 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3-n3cccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669187 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C)c3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669198 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669199 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669202 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669203 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669204 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H](C)CCCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587669215 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@H](C)CCCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587669216 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669221 JK Annotated Anodyne CCOc1ccc(-c2nn(CCc3c[nH]c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669237 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587669239 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669244 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)nc4sc(C)c(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587669269 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587669272 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587669276 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc4c3CC[C@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587669282 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc4c3CC[C@@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587669283 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587669294 JK Annotated Anodyne COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587669305 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587669306 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587669308 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587669309 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587669310 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4ncccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587669326 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(-c4cc(C)ccc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669342 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(-c4ccc(CC)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669359 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)OCc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669375 JK Annotated Anodyne CCc1ccccc1NC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587669377 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OC4CCCC4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669388 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(OC)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669389 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cc(C)sc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587669391 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3SC)c(=O)c3ccccc23)c(O)c1 ZINC000587669394 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)c4cc(C)cc(C)c4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669397 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(C)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587669401 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669406 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669410 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669412 JK Annotated Bother CCOc1ccc(-c2nn(C(=S)Nc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669432 JK Annotated Bother C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669433 JK Annotated Reactive CCOc1ccc(-c2nn(-c3c(O)c(C(=O)O)cc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669435 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 ZINC000587669436 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669437 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 ZINC000587669438 JK Annotated Reactive CCCCc1ccc2nc(-n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)sc2c1 ZINC000587669439 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669467 JK Annotated Anodyne CC(C)c1ccc([C@@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669469 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669471 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669473 JK Annotated Reactive CC(C)c1ccc([C@@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669474 JK Annotated Reactive CCOc1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669476 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3c(C)cccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669481 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669484 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4c(c3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587669492 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(NC(=O)C(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669494 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Br)(Br)Br)N1 ZINC000587669511 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669513 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(Br)(Br)Br)N1 ZINC000587669514 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Br)(Br)Br)N1 ZINC000587669515 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669516 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(Br)(Br)Br)N1 ZINC000587669517 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587669518 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669519 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669522 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4cc(OC)ccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669527 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669551 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669552 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc(Cl)c3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587669554 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3cncc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669559 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3cccc(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669567 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669581 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669585 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C(F)F)cc(C4CC4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669598 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669615 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587669619 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587669623 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587669625 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587669626 JK Annotated Reactive CCOc1ccc(-c2nn(-c3cccc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669649 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669652 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3N3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669654 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(Cl)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669656 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587669657 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587669659 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587669661 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(Cl)c(O)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669667 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669669 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(F)(F)Oc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669707 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587669738 JK Annotated Anodyne CCCn1c(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)nc2ccccc21 ZINC000587669740 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)c4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669791 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587669792 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669794 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669796 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669797 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669798 JK Annotated Reactive CCOc1ccc(-c2nn(-c3cc(C)c4ccc(C)c(C)c4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669803 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C)c(C)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669804 JK Annotated Anodyne CCCc1cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)sc1C ZINC000587669815 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(OC)ccc(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669816 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4cc(C)c(C)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669829 JK Annotated Anodyne CCCCCC1CCC(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)CC1 ZINC000587669834 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Br)(Br)Br)N1 ZINC000587669838 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(Br)(Br)Br)N1 ZINC000587669840 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Br)(Br)Br)N1 ZINC000587669841 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4c(C)cc(C)c(O)c4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669842 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(Br)(Br)Br)N1 ZINC000587669843 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(C)cc(C)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669844 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669860 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669874 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Br)ccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669876 JK Annotated Anodyne CCOc1ccc2nc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)sc2c1 ZINC000587669878 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc4c(n3)-c3ccccc3CC4)c(=O)c3ccccc23)cc1OCC ZINC000587669880 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4ccc(C)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587669887 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669889 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4sccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669893 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3SC)c(=O)c3ccccc23)cc1OCC ZINC000587669896 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587669923 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587669925 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587669926 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587669927 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Br)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669930 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669931 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587669932 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587669934 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587669935 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc4c3CCCC4)c(=O)c3ccccc23)cc1OCC ZINC000587669948 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(C)ccc(Cl)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669951 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587669954 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4cc(C)cc(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669959 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)ccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587669967 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(SC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669976 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587669986 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc4ncccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669990 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(-c4ccc(C)cc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669996 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4ccccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587669998 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccc4[nH]c3=S)c(=O)c3ccccc23)c(O)c1 ZINC000587670001 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Cl)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587670019 JK Annotated Bother CCOc1ccc(-c2nn(C(=S)Nc3c(C)cccc3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670028 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670030 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OCC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670031 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c5c(ccc4s3)CCCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587670033 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670034 JK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670058 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)cncc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670060 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(C)ccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587670065 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4c(C)ccc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587670070 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670086 JK Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587670088 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cccs4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587670089 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Cl)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670090 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(C(C)C)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670095 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc(Br)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670105 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3c(C)cccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670127 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3c(CC)nc4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587670152 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587670168 JK Annotated Bother CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670175 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670176 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670178 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670179 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(C)c(CC)s3)c(=O)c3ccccc23)cc1OCC ZINC000587670208 JK Annotated Anodyne CC(C)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670210 JK Annotated Reactive CC(C)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670211 JK Annotated Reactive CC(C)[C@@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670213 JK Annotated Reactive CC(C)[C@@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670215 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587670229 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587670230 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587670231 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587670232 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587670260 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(=O)OC(C)(C)C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670279 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc4cccnc34)c(=O)c3ccccc23)cc1OCC ZINC000587670284 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(-c4ccccc4)nc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670285 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670287 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670289 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670291 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670292 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc4c(C)cccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670304 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670305 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670313 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587670315 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587670316 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670318 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(OC)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587670322 JK Annotated Anodyne CC(C)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670339 JK Annotated Reactive CC(C)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670340 JK Annotated Reactive CC(C)[C@@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670341 JK Annotated Reactive CC(C)[C@@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670343 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc4ccccc4cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587670348 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670372 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670376 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670377 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670378 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670379 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc4c(C)cccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670386 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccccc4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587670394 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4cccc(O)c4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670395 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccc(C)o4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670396 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(=O)c3ccccc23)cc1OCC ZINC000587670402 JK Annotated Bother CCOc1ccc(-c2nn(-c3ncnc4c3oc3ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670424 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4ccccc4o3)c(=O)c3ccccc23)cc1OCC ZINC000587670426 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)cc1OCC ZINC000587670430 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3-c3nc(C4CC4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587670438 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670448 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)C[C@@H](C)CC4)c(=O)c3ccccc23)cc1OCC ZINC000587670475 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)C[C@H](C)CC4)c(=O)c3ccccc23)cc1OCC ZINC000587670476 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670477 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670478 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 ZINC000587670479 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 ZINC000587670481 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc4sccc4cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670483 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3cccc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670503 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670504 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(N=[N+]=[N-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670521 JK Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)c3csc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587670523 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(C)(C)C)ccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587670524 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCc3cccs3)c(=O)c3ccccc23)cc1OCC ZINC000587670535 JK Annotated Anodyne CCCc1cc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cs1 ZINC000587670537 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587670538 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4cccs4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587670544 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@H](C)C4)c(=O)c3ccccc23)cc1OCC ZINC000587670561 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@@H](C)C4)c(=O)c3ccccc23)cc1OCC ZINC000587670566 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670567 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 ZINC000587670570 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670572 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 ZINC000587670573 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(Cl)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670577 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(C(C)(C)Br)(C(C)(C)Br)N1 ZINC000587670584 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(C(C)(C)Br)(C(C)(C)Br)N1 ZINC000587670587 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670598 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670599 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-c4cnco4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670603 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4cc(F)ccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587670611 JK Annotated Anodyne CCOc1cccc2sc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)nc12 ZINC000587670612 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670617 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670618 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3csc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587670619 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 ZINC000587670620 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](C)Br)N1 ZINC000587670624 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670641 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670648 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(OCC)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587670653 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670669 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670676 JK Annotated Anodyne CCOc1ccc2nc(-n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)sc2c1 ZINC000587670677 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4cc(C)c(C)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587670683 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670712 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(Cl)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670742 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670756 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670760 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(C)ccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670762 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)C[C@@H](C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587670773 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670774 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)C[C@H](C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587670775 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670779 JK Annotated Anodyne CCc1ccc2nc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)sc2c1 ZINC000587670793 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670815 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C)cc(C)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670827 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587670837 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670870 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670902 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670904 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3ccc4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587670913 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670954 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670955 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670956 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670957 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587670961 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587670962 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587670964 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587670965 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670972 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670978 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 ZINC000587670979 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 ZINC000587670980 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3scc(C)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670981 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(C)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587670982 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670983 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 ZINC000587670985 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670986 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)cc(O)n3C)([C@@H](C)Br)N1 ZINC000587670988 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nc4c5c(ccc4s3)CCCC5)c(=O)c3ccccc23)cc1OCC ZINC000587671017 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(N(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671039 JK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671042 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671044 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671045 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671046 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671049 JK Annotated Reactive C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671050 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)([C@@H](C)Br)N1 ZINC000587671051 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)([C@@H](C)Br)N1 ZINC000587671052 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3csc4c3CC[C@H](C)C4)c(=O)c3ccccc23)cc1OCC ZINC000587671054 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc4c3CC[C@@H](C)C4)c(=O)c3ccccc23)cc1OCC ZINC000587671056 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H]3CCCC[C@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587671064 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H]3CCCC[C@@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587671065 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@H]3CCCC[C@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587671067 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@H]3CCCC[C@@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587671069 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587671070 JK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc4sccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671076 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(C)c(C)ccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671077 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccs4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587671078 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4cc(Cl)ccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671080 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671086 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671087 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587671089 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587671091 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)Cc3c[nH]c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671122 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)CN3CCCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587671136 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587671137 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3CCCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587671138 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc4c(c3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587671168 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671182 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671183 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671185 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671187 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671191 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671192 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671196 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3c(C)cc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671198 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587671199 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc4[nH]ccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671203 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C)ccc(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671211 JK Annotated Anodyne CCCc1cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cs1 ZINC000587671219 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587671221 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671249 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc4cc[nH]c34)c(=O)c3ccccc23)cc1OCC ZINC000587671257 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(Cl)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671269 JK Annotated Anodyne C=CCCCCCCCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587671275 JK Annotated Mild CCOc1ccc(-c2nn(C(=S)Nc3cccc(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671291 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(OC)ccc(C)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671296 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(-c4ccccc4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587671308 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671309 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671318 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587671322 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671328 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587671330 JK Annotated Reactive C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671331 JK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671332 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nc4cc5c(cc4s3)OCO5)c(=O)c3ccccc23)cc1OCC ZINC000587671362 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3scc(C)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587671367 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587671368 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671369 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671370 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671371 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671374 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 ZINC000587671375 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)Br)N1 ZINC000587671377 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587671382 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(C(C)C)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671383 JK Annotated Anodyne CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671385 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671388 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671390 JK Annotated Reactive CCc1c(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)csc1C ZINC000587671391 JK Annotated Anodyne CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671393 JK Annotated Reactive CCN(CC)c1ccc(-c2nn(-c3nc4cc(OC)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671396 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4sc(CC)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587671407 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OC(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671408 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671409 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Cl)nc(SC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671420 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587671425 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc4ccccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671426 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587671441 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Cl)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587671444 JK Annotated Anodyne CCOc1ccc(-c2nn(Cc3ccccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671462 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587671467 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C)ccc(Cl)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671468 JK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671474 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671475 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671476 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671477 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671482 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671483 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671484 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671485 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3cccc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671489 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671490 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CCCC4)c(=O)c3ccccc23)cc1OCC ZINC000587671496 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671498 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C)c(Cl)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671499 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4sc5c(c34)CCCC5)c(=O)c3ccccc23)cc1OCC ZINC000587671509 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(C)c(Cl)ccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671514 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(CC)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671518 JK Annotated Anodyne CCOc1ccc(NC(=S)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587671519 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-c4cccs4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587671523 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671524 JK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671546 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671547 JK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671548 JK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671549 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671560 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C(C)C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671564 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3CC)c(=O)c3ccccc23)cc1OCC ZINC000587671565 JK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587671570 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671571 JK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671572 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671573 JK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587671574 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671582 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671583 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671584 JK Annotated Reactive CC(C)Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671585 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3cccc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671586 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587671639 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4cc(F)ccc4[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587671644 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671657 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587671676 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587671677 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587671678 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587671679 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3cccc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671684 JK Annotated Anodyne CCCOc1ccccc1C(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587671687 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671705 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671723 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587671734 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587671736 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587671737 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587671739 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671747 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671748 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671752 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc3ccccc23)N1 ZINC000587671770 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc3ccccc23)N1 ZINC000587671772 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc3ccccc23)N1 ZINC000587671773 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc3ccccc23)N1 ZINC000587671774 JK Annotated Reactive CCOc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671782 JK Annotated Reactive CCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671783 JK Annotated Reactive CCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671784 JK Annotated Reactive CCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671786 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCSc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671788 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671789 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587671794 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671796 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587671797 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587671798 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671799 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587671800 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc4cccc(F)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671816 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCO[C@@H]3c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671823 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671826 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)c(F)cc(F)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587671838 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)cc(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671840 JK Annotated Anodyne CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587671858 JK Annotated Anodyne CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587671859 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(C)ccc(C)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671860 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)nc4sc5c(c34)CCC5)c(=O)c3ccccc23)cc1OCC ZINC000587671887 JK Annotated Anodyne CCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671894 JK Annotated Reactive CCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671898 JK Annotated Reactive CCCc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671900 JK Annotated Reactive CCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671901 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nccc(-c4cc(C)sc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671905 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CCCCC4)c(=O)c3ccccc23)cc1OCC ZINC000587671908 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(C)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671911 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587671913 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587671930 JK Annotated Reactive CCCc1cc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)sc1C ZINC000587671931 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587671933 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587671934 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587671935 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587671958 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587671968 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587671969 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587671973 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br ZINC000587671974 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br ZINC000587671978 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671979 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccs4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587671980 JK Annotated Anodyne COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671986 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671987 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671989 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(SC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671998 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(CC)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672020 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672037 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672038 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672040 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nc4c(C)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672041 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672042 JK Annotated Reactive CCOc1ccc(NC(=S)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587672043 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587672088 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587672090 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587672091 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587672093 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3cc(Cl)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672121 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672122 JK Annotated Reactive C[C@H](Br)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672123 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)([C@@H](C)Br)N1 ZINC000587672124 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)([C@@H](C)Br)N1 ZINC000587672125 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nc(C)nc4sc(C)c(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587672126 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587672139 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587672140 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587672141 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587672142 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672155 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672156 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672157 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672158 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672159 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672160 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672161 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672162 JK Annotated Reactive Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672175 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672176 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672177 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672178 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587672187 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587672188 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587672189 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587672190 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587672195 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587672196 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587672197 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587672198 JK Annotated Reactive CCOc1ccc(-c2nn(-c3nc4cc(C)cc(C)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672212 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587672219 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672220 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C)Br)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587672221 JK Annotated Reactive C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672222 JK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672223 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672224 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672226 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672228 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(Br)s3)c(=O)c3ccccc23)cc1OCC ZINC000587672235 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H](C)CCCC(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587672264 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@H](C)CCCC(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587672265 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cccs4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587672275 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3c(C)cccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672283 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672284 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 ZINC000587672286 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672287 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC(=O)N3)([C@@H](C)Br)N1 ZINC000587672288 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)Nc3c(F)cccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587672289 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(F)c(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672296 JK Annotated Anodyne CC(C)c1ccc([C@@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672298 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672299 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672300 JK Annotated Reactive CC(C)c1ccc([C@@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672301 JK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3cccc(SC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672303 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(C)(C)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672308 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(OC(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672332 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672335 JK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672340 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672341 JK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672342 JK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672344 JK Annotated Reactive CCOc1ccc(-c2nn(-c3c(Cl)cc(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672345 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CN(CC)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672361 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(-c4ccccc4)noc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672366 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3c(F)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672380 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc4ccccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587672406 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(F)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672460 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587672461 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587672462 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)c(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672463 JK Annotated Anodyne CCOc1ccc(NCC(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587672482 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587672501 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)Nc3cc(F)cc(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672504 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587672508 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587672511 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3cc(C)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672513 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587672515 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672534 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(F)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672553 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCNc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672559 JK Annotated Anodyne CC(C)Oc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672560 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672562 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CC34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)cc1OCC ZINC000587672567 JK Annotated Anodyne CC(C)Oc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672578 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672579 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587672624 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587672625 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587672626 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587672627 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587672628 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587672629 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587672630 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2Cl)N1 ZINC000587672632 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587672634 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587672636 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587672638 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587672640 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2Br)N1 ZINC000587672671 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2Br)N1 ZINC000587672672 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2Br)N1 ZINC000587672673 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2Br)N1 ZINC000587672674 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCBr)cc2)N1 ZINC000587672683 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCBr)cc2)N1 ZINC000587672685 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCBr)cc2)N1 ZINC000587672686 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCBr)cc2)N1 ZINC000587672687 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2coc3ccccc23)N1 ZINC000587672705 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2coc3ccccc23)N1 ZINC000587672706 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2coc3ccccc23)N1 ZINC000587672707 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2coc3ccccc23)N1 ZINC000587672708 JK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672736 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587672751 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587672752 JK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OC(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587672758 JK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(F)cc(F)c3OC)c(=O)c3ccccc23)cc1OCC ZINC000587672760 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672783 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672784 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672785 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)ccc2O)N1 ZINC000587672786 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672791 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672792 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672793 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672794 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587672799 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587672800 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587672801 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587672802 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 ZINC000587672841 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 ZINC000587672842 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 ZINC000587672843 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 ZINC000587672844 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672845 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672846 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672847 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3o2)N1 ZINC000587672848 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672849 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672850 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672851 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672852 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587672853 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587672854 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587672855 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587672856 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587672901 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587672903 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587672905 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587672906 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587672911 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587672913 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587672915 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587672917 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672918 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672920 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672921 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2(c3ccccc3)CC2)N1 ZINC000587672922 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587672930 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587672932 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587672933 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587672934 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587672935 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587672936 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587672937 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587672938 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587672951 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587672955 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587672957 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587672958 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587672961 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587672962 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587672963 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587672964 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587672985 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587672990 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587672991 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587672998 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587673079 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587673080 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587673081 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587673082 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587673083 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587673084 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587673085 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587673086 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 ZINC000587673091 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)c2ccccc2)N1 ZINC000587673092 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)c2ccccc2)N1 ZINC000587673093 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 ZINC000587673094 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587673099 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587673100 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587673101 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587673102 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br ZINC000587673135 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Br)CCCCC[C@@H]2Br ZINC000587673136 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673137 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673138 JK Annotated Reactive CC(C)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673139 JK Annotated Reactive CC(C)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673140 JK Annotated Reactive CCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673153 JK Annotated Reactive CCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673154 JK Annotated Reactive CCCc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673155 JK Annotated Reactive CCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673156 JK Annotated Reactive CCCCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673161 JK Annotated Reactive CCCCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673162 JK Annotated Reactive CCCCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673163 JK Annotated Reactive CCCCOc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673164 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 ZINC000587673169 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 ZINC000587673170 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 ZINC000587673171 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 ZINC000587673172 JK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 ZINC000587673177 JK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 ZINC000587673178 JK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 ZINC000587673179 JK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cn1 ZINC000587673180 JK Annotated Reactive COc1ccc2cc([C@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587673221 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587673226 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587673227 JK Annotated Reactive COc1ccc2cc([C@]3(CBr)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587673228 JK Annotated Reactive COc1ccc2cc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587673233 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587673234 JK Annotated Reactive COc1ccc2cc([C@@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587673237 JK Annotated Reactive COc1ccc2cc([C@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587673238 JK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(OC)c1OC ZINC000587673259 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(OC)c1OC ZINC000587673264 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(OC)c1OC ZINC000587673265 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(OC)c1OC ZINC000587673266 JK Annotated Anodyne COc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587673339 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587673340 JK Annotated Reactive COc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587673341 JK Annotated Reactive COc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587673342 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587673355 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587673356 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587673357 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587673358 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673427 JK Annotated Reactive CCOc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673428 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673429 JK Annotated Reactive CCOc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673430 JK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 ZINC000587673449 JK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 ZINC000587673450 JK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 ZINC000587673451 JK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cn1 ZINC000587673452 JK Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673533 JK Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673534 JK Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673535 JK Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673536 JK Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587673545 JK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587673546 JK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587673547 JK Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587673548 JK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587673549 JK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587673550 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587673551 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587673552 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587673553 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587673554 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587673555 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587673556 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2)N1 ZINC000587673661 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2)N1 ZINC000587673662 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2)N1 ZINC000587673663 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2)N1 ZINC000587673664 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587673665 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587673666 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587673667 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)c2ccccc2)N1 ZINC000587673668 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587673677 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587673678 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587673679 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)c(Cl)c2)N1 ZINC000587673680 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673681 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673686 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673687 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673688 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2coc3ccccc23)N1 ZINC000587673768 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2coc3ccccc23)N1 ZINC000587673770 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2coc3ccccc23)N1 ZINC000587673771 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2coc3ccccc23)N1 ZINC000587673772 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587673789 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587673790 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587673791 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cn(C)c3ccccc23)N1 ZINC000587673792 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587673793 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587673794 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587673795 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC3)N1 ZINC000587673796 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587673807 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587673808 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587673809 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Cl)c2Cl)N1 ZINC000587673810 JK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587673815 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587673816 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587673817 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587673818 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587673819 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587673820 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587673821 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587673822 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2)N1 ZINC000587673823 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2)N1 ZINC000587673824 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2)N1 ZINC000587673825 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2)N1 ZINC000587673826 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587673847 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587673848 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587673849 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3)cc2)N1 ZINC000587673850 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 ZINC000587673855 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 ZINC000587673856 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 ZINC000587673857 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 ZINC000587673858 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 ZINC000587673873 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 ZINC000587673874 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 ZINC000587673875 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 ZINC000587673876 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587673901 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587673902 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587673903 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587673904 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587673909 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587673910 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587673911 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=[N+]=[N-])cc2)N1 ZINC000587673912 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCBr)cc2)N1 ZINC000587673917 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCBr)cc2)N1 ZINC000587673918 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCBr)cc2)N1 ZINC000587673919 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCBr)cc2)N1 ZINC000587673920 JK Annotated Reactive CCCCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673933 JK Annotated Reactive CCCCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673934 JK Annotated Reactive CCCCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673935 JK Annotated Reactive CCCCOc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587673936 JK Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587673937 JK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587673938 JK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587673939 JK Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587673940 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587673945 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587673946 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587673947 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587673948 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674022 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674024 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674025 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674026 JK Annotated Reactive Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674027 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674028 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674031 JK Annotated Bother Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674033 JK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674035 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674038 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674039 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674040 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587674041 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587674042 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587674043 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)c(N)c(Cl)c2)N1 ZINC000587674044 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674057 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674058 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674059 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674060 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 ZINC000587674063 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)c2ccccc2)N1 ZINC000587674064 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)c2ccccc2)N1 ZINC000587674065 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)c2ccccc2)N1 ZINC000587674066 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587674067 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587674068 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587674069 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587674070 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674095 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674096 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674097 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674099 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674109 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674110 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674111 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674113 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587674121 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587674122 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587674123 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587674124 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674147 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674149 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674151 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cccc2Cl)N1 ZINC000587674152 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674183 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674184 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674185 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674186 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587674207 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(\CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587674208 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587674209 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(/CBr)C(C)(C)C)(C(C)(C)C)N1 ZINC000587674210 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674227 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674228 JK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674229 JK Annotated Reactive CCCCCc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674230 JK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587674239 JK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587674240 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587674241 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587674242 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2)N1 ZINC000587674243 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2)N1 ZINC000587674244 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2)N1 ZINC000587674245 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2)N1 ZINC000587674246 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2)N1 ZINC000587674263 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2)N1 ZINC000587674264 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2)N1 ZINC000587674265 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2)N1 ZINC000587674266 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674267 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674268 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674269 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674270 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587674271 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587674272 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587674273 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CBr)c2)N1 ZINC000587674274 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674299 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674300 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2(Br)CCCC2)N1 ZINC000587674302 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCCBr)N1 ZINC000587674315 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCCBr)N1 ZINC000587674316 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCCBr)N1 ZINC000587674317 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCCBr)N1 ZINC000587674318 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587674339 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587674340 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587674341 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 ZINC000587674342 JK Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674355 JK Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674356 JK Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674357 JK Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674358 JK Annotated Reactive COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674435 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674437 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674439 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c(Cl)c1O ZINC000587674442 JK Annotated Anodyne CCOc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674464 JK Annotated Reactive CCOc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674466 JK Annotated Reactive CCOc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674467 JK Annotated Reactive CCOc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674468 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587674505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587674506 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587674507 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)c2Cl)N1 ZINC000587674508 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587674525 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587674526 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587674527 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccccc3)no2)N1 ZINC000587674528 JK Annotated Reactive CC(C)Oc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674533 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674534 JK Annotated Reactive CC(C)Oc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674535 JK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674536 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587674537 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587674538 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587674563 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)cc2Cl)N1 ZINC000587674564 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674565 JK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674566 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674567 JK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674568 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCCBr)N1 ZINC000587674569 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCCBr)N1 ZINC000587674570 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCCBr)N1 ZINC000587674571 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCCBr)N1 ZINC000587674572 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674581 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674582 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674583 JK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674584 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587674585 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587674586 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587674587 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CBr)cc2)N1 ZINC000587674588 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587674593 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587674594 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587674595 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(Cl)cc2)N1 ZINC000587674596 JK Annotated Reactive CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587674617 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587674618 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587674619 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(Cl)c1O ZINC000587674620 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674621 JK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674622 JK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674623 JK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674624 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674633 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674634 JK Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674635 JK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674636 JK Annotated Reactive COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(OC)c1OC ZINC000587674645 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(OC)c1OC ZINC000587674646 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(OC)c1OC ZINC000587674647 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c(OC)c1OC ZINC000587674648 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587674649 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587674650 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587674651 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCCC3)N1 ZINC000587674652 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674661 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674662 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674663 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2N)N1 ZINC000587674664 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2Br)N1 ZINC000587674665 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2Br)N1 ZINC000587674666 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2Br)N1 ZINC000587674667 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2Br)N1 ZINC000587674668 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc3ccccc23)N1 ZINC000587674669 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc3ccccc23)N1 ZINC000587674670 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc3ccccc23)N1 ZINC000587674671 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc3ccccc23)N1 ZINC000587674672 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587674677 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587674678 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587674679 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Cl)c(Cl)c2O)N1 ZINC000587674680 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674707 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674708 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674709 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587674710 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587674711 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587674712 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587674714 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccccc3c2)N1 ZINC000587674717 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674734 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674735 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674736 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674738 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674748 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674751 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674753 JK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674754 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587675247 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587675248 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587675249 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587675250 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587675271 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587675272 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587675273 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587675274 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587675279 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587675280 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587675281 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587675282 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675283 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675284 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675285 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675286 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587675295 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587675296 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587675297 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587675298 JK Annotated Clean CC(C)[C@]1(Cc2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675331 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675332 JK Annotated Anodyne CC(C)[C@]1(Cc2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675333 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675334 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587675447 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587675448 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587675449 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587675450 JK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675459 JK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675460 JK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675461 JK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675462 JK Annotated Anodyne COCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587675495 JK Annotated Anodyne COCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587675496 JK Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587675497 JK Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587675498 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC ZINC000587675505 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC ZINC000587675510 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC ZINC000587675511 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC ZINC000587675513 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587675547 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587675548 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587675549 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587675550 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587675614 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587675615 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587675616 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587675617 JK Annotated Bother CCC#CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675622 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675623 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675624 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675625 JK Annotated Mild CC[C@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675639 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675640 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675641 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675642 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675647 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675648 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675649 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675650 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C(\Cl)c2ccc(Br)cc2)N1 ZINC000587675651 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587675655 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C(/Cl)c2ccc(Br)cc2)N1 ZINC000587675656 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C(/Cl)c2ccc(Br)cc2)N1 ZINC000587675657 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C(\Cl)c2ccc(Br)cc2)N1 ZINC000587675658 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587675660 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587675661 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587675662 JK Annotated Reactive CCOCCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675663 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675664 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675665 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675666 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587675681 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587675684 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587675686 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587675688 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675693 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675694 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675695 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675696 JK Annotated Anodyne CC[C@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675705 JK Annotated Clean CC[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675706 JK Annotated Clean CC[C@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675707 JK Annotated Clean CC[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675708 JK Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)C ZINC000587675713 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)C ZINC000587675714 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)C ZINC000587675715 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)C ZINC000587675716 JK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675727 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675729 JK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675730 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675732 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H]2CCCO2)N1 ZINC000587675737 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H]2CCCO2)N1 ZINC000587675738 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H]2CCCO2)N1 ZINC000587675739 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H]2CCCO2)N1 ZINC000587675740 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587675749 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587675750 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587675751 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587675753 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587675796 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587675801 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587675802 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587675803 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587675804 JK Annotated Anodyne C#CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675805 JK Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675806 JK Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675807 JK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675808 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587675810 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587675812 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587675813 JK Annotated Mild CC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675818 JK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675819 JK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675820 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675821 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587675834 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587675835 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587675836 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587675837 JK Annotated Bother CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675846 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675847 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675848 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675849 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587675850 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587675851 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587675852 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587675853 JK Annotated Anodyne C=CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675858 JK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675859 JK Annotated Mild C=CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675860 JK Annotated Mild C=CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675861 JK Annotated Mild Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675862 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675863 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675864 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675865 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675878 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675879 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675880 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675881 JK Annotated Bother C=CCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675882 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675883 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675884 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675885 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675886 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675887 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675888 JK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675889 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587675890 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587675891 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587675892 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587675893 JK Annotated Clean CCOCCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675894 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675895 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675896 JK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675897 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587675902 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587675903 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587675904 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587675905 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675906 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675907 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675908 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675909 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675922 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675923 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675924 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675925 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587675926 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587675927 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587675928 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587675929 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675934 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675935 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675936 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675937 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587675942 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587675943 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587675944 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587675945 JK Annotated Anodyne C=CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675966 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675967 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675968 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675969 JK Annotated Mild CC(C)Oc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675974 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675975 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675976 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675977 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675978 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675979 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675980 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675981 JK Annotated Anodyne C=CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675982 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675983 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675984 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675985 JK Annotated Mild COc1cc2c(cc1Br)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675993 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675997 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676000 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676002 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676029 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676030 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676031 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676033 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587676049 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587676050 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587676051 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587676052 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC ZINC000587676061 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC ZINC000587676062 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC ZINC000587676064 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC ZINC000587676065 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676082 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676083 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676084 JK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676086 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676091 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676092 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676093 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676094 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676113 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676120 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676121 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676123 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2Br)N1 ZINC000587676131 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2Br)N1 ZINC000587676132 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2Br)N1 ZINC000587676133 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2Br)N1 ZINC000587676134 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(Br)cc3)C2)N1 ZINC000587676138 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(Br)cc3)C2)N1 ZINC000587676139 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(Br)cc3)C2)N1 ZINC000587676140 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(Br)cc3)C2)N1 ZINC000587676141 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676142 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676143 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676144 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676145 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H]2CCCO2)N1 ZINC000587676150 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H]2CCCO2)N1 ZINC000587676151 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H]2CCCO2)N1 ZINC000587676152 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H]2CCCO2)N1 ZINC000587676153 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587676154 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587676155 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587676156 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587676157 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587676162 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587676163 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587676164 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587676165 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3cc2Br)N1 ZINC000587676182 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3cc2Br)N1 ZINC000587676183 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3cc2Br)N1 ZINC000587676184 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3cc2Br)N1 ZINC000587676185 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676190 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676191 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676192 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676193 JK Annotated Anodyne CCOc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676194 JK Annotated Clean CCOc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676195 JK Annotated Clean CCOc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676196 JK Annotated Clean CCOc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676197 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587676198 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587676199 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587676200 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2N)N1 ZINC000587676201 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3cc2Br)N1 ZINC000587676218 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3cc2Br)N1 ZINC000587676219 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3cc2Br)N1 ZINC000587676220 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3cc2Br)N1 ZINC000587676221 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587676222 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587676223 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587676224 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587676225 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587676230 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587676231 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587676232 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2O)(C(C)(C)C)N1 ZINC000587676233 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587676266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587676267 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587676268 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587676269 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2Br)N1 ZINC000587676294 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2Br)N1 ZINC000587676295 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2Br)N1 ZINC000587676296 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2Br)N1 ZINC000587676297 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587676302 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587676303 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587676304 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587676305 JK Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587676318 JK Annotated Anodyne Cc1cc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587676319 JK Annotated Anodyne Cc1cc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587676320 JK Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587676321 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676326 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676327 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676328 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676329 JK Annotated Anodyne COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676330 JK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676331 JK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676332 JK Annotated Reactive COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676333 JK Annotated Reactive CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676338 JK Annotated Anodyne CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676339 JK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676340 JK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676341 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2Br)N1 ZINC000587676346 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2Br)N1 ZINC000587676347 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2Br)N1 ZINC000587676348 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2Br)N1 ZINC000587676349 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587676374 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587676375 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587676376 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587676377 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587676378 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587676379 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587676380 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587676381 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587676390 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587676391 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587676392 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587676393 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587676394 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587676395 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587676396 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587676397 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587676412 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587676413 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587676414 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587676415 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676420 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676421 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676422 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676423 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676450 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676451 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676452 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676453 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(Br)cc2)N1 ZINC000587676454 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(Br)cc2)N1 ZINC000587676455 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(Br)cc2)N1 ZINC000587676456 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(Br)cc2)N1 ZINC000587676457 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Br)c1 ZINC000587676462 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Br)c1 ZINC000587676463 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Br)c1 ZINC000587676464 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Br)c1 ZINC000587676465 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676472 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676473 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676474 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676475 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587676480 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587676481 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587676482 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587676483 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Br ZINC000587676492 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Br ZINC000587676493 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Br ZINC000587676494 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Br ZINC000587676495 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587676524 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587676526 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587676528 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587676529 JK Annotated Reactive CC(=O)Nc1ccc(Br)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676538 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676540 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676542 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676544 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676551 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676553 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676555 JK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676557 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676576 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676580 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676582 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676584 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 ZINC000587676586 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 ZINC000587676589 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 ZINC000587676591 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 ZINC000587676593 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br ZINC000587676603 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br ZINC000587676604 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br ZINC000587676605 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1Br ZINC000587676607 JK Annotated Reactive Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Br ZINC000587676612 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Br ZINC000587676615 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Br ZINC000587676617 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Br ZINC000587676619 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587676621 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676623 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676624 JK Annotated Anodyne CCOc1ccc(/C=C/[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676625 JK Annotated Anodyne CCOc1ccc(/C=C/[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676626 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587676627 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587676629 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587676631 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587676634 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587676635 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587676636 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587676637 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587676638 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587676639 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587676640 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2ccccc2Br)N1 ZINC000587676641 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587676642 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587676643 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587676644 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2N2CCCCC2)N1 ZINC000587676645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676646 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676647 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676648 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676649 JK Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)C ZINC000587676658 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)C ZINC000587676659 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)C ZINC000587676660 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)C ZINC000587676661 JK Annotated Anodyne COc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676662 JK Annotated Anodyne COc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676663 JK Annotated Anodyne COc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676664 JK Annotated Anodyne COc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587676665 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587676680 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587676681 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587676682 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587676683 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676690 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676691 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676692 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(Br)cc2)N1 ZINC000587676693 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587676706 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587676707 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587676708 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587676709 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676714 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676715 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676716 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676717 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587676722 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587676723 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587676724 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587676725 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587676730 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587676731 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587676732 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccn2)N1 ZINC000587676733 JK Annotated Anodyne C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676738 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676740 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 ZINC000587676741 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 ZINC000587676742 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587676760 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587676762 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587676763 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587676764 JK Annotated Mild Cc1onc(-c2ccc(Br)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676769 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676781 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676783 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676784 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676786 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676788 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676790 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676792 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)c2cccc(Br)c2)N1 ZINC000587676819 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)c2cccc(Br)c2)N1 ZINC000587676820 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)c2cccc(Br)c2)N1 ZINC000587676821 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)c2cccc(Br)c2)N1 ZINC000587676822 JK Annotated Mild CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676858 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676860 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676861 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676862 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676867 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676868 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676869 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676870 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587676902 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587676904 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587676906 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587676908 JK Annotated Anodyne C=CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676915 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676917 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676918 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676919 JK Annotated Mild CCOC(=O)CC[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676920 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676921 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676922 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676924 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587676931 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587676932 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587676933 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587676934 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587676943 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587676944 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587676946 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587676947 JK Annotated Anodyne Cc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676957 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676959 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676960 JK Annotated Anodyne Cc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587676961 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587676985 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587676986 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587676987 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587676988 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587677082 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587677083 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587677084 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587677085 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587677103 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587677105 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587677107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587677108 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677110 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677112 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677114 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677116 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677118 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677119 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677121 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677122 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587677140 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587677142 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587677143 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587677145 JK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587677153 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587677155 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587677156 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587677159 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587677176 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587677177 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587677179 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587677180 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587677201 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587677203 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587677206 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587677208 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587677215 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587677217 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587677218 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587677219 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677220 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677221 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677222 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677224 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677236 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677238 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677239 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2)N1 ZINC000587677248 JK Annotated Anodyne CC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677249 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2)N1 ZINC000587677250 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2)N1 ZINC000587677252 JK Annotated Anodyne CC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677253 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2)N1 ZINC000587677255 JK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677256 JK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677259 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587677267 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587677270 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587677274 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587677276 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587677277 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587677278 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587677279 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587677281 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587677282 JK Annotated Anodyne COc1cc(Br)cc2c1OCC([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587677284 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587677285 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587677289 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677292 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677295 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677298 JK Annotated Anodyne COc1c(Br)cc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677302 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587677305 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587677307 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587677308 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587677309 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587677332 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587677335 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587677337 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587677339 JK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677353 JK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677354 JK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677355 JK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677356 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(Br)c1 ZINC000587677385 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(Br)c1 ZINC000587677387 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(Br)c1 ZINC000587677388 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(Br)c1 ZINC000587677389 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587677416 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587677417 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587677418 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587677419 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c3cccnc23)N1 ZINC000587677436 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c3cccnc23)N1 ZINC000587677437 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c3cccnc23)N1 ZINC000587677438 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c3cccnc23)N1 ZINC000587677439 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587677468 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587677469 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587677470 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587677471 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677476 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677477 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677478 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677479 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cncc2Br)N1 ZINC000587677501 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cncc2Br)N1 ZINC000587677505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cncc2Br)N1 ZINC000587677506 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cncc2Br)N1 ZINC000587677508 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677513 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677522 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677523 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677524 JK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677529 JK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677534 JK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677535 JK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587677538 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587677542 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587677545 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587677547 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Br)cc1 ZINC000587677548 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Br)cc1 ZINC000587677549 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Br)cc1 ZINC000587677552 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Br)cc1 ZINC000587677554 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677556 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677557 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677559 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Br)cc2)N1 ZINC000587677560 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587677567 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587677569 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587677571 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587677573 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677605 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677609 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677610 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677611 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677612 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677613 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677615 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677617 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677621 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677624 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677627 JK Annotated Anodyne CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677630 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587677668 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587677671 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587677672 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587677673 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587677675 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587677679 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587677684 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587677686 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587677687 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587677690 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587677693 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587677696 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677702 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677703 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677707 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677711 JK Annotated Mild COCCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677726 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677729 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677732 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677735 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677748 JK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677752 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677754 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677758 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587677771 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587677775 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587677780 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2Br)N1 ZINC000587677784 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677816 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677819 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677821 JK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677824 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587677832 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587677833 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587677834 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(Br)c3)c2)N1 ZINC000587677837 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3Br)CC2)N1 ZINC000587677853 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3Br)CC2)N1 ZINC000587677855 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587677865 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587677868 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587677871 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587677873 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587677912 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587677913 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587677914 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587677915 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587677944 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587677945 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587677946 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587677947 JK Annotated Anodyne CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677968 JK Annotated Bother CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677969 JK Annotated Bother CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677970 JK Annotated Bother CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677971 JK Annotated Bother CCOCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587678013 JK Annotated Anodyne CCOCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587678015 JK Annotated Anodyne CCOCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587678016 JK Annotated Anodyne CCOCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587678018 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587678021 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587678026 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587678029 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587678031 JK Annotated Anodyne COc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678037 JK Annotated Anodyne COc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678038 JK Annotated Anodyne COc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678039 JK Annotated Anodyne COc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678040 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587678051 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br ZINC000587678053 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587678054 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587678055 JK Annotated Clean Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br ZINC000587678056 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587678057 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587678058 JK Annotated Clean Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br ZINC000587678059 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587678060 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587678061 JK Annotated Clean Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1Br ZINC000587678063 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Cl)c2O)N1 ZINC000587678064 JK Annotated Clean COc1ccc2c(c1Br)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678083 JK Annotated Anodyne C=CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678084 JK Annotated Mild COc1ccc2c(c1Br)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678085 JK Annotated Anodyne C=CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678086 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678087 JK Annotated Mild COc1ccc2c(c1Br)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678089 JK Annotated Anodyne C=CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678090 JK Annotated Mild COc1ccc2c(c1Br)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678092 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587678111 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587678113 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587678115 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Br)ccc2N)N1 ZINC000587678117 JK Annotated Anodyne CCOCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678126 JK Annotated Anodyne CCOCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678127 JK Annotated Anodyne CCOCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678129 JK Annotated Anodyne CCOCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678131 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587678149 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678163 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678165 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678167 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678169 JK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678178 JK Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678180 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678181 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587678182 JK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678183 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678184 JK Annotated Bother CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678185 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587678186 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678187 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587678189 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678190 JK Annotated Bother Cc1cc([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678198 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678201 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678204 JK Annotated Anodyne Cc1cc([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678205 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678207 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678208 JK Annotated Anodyne Cc1nc(Cl)c(Br)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678210 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678211 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587678213 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587678224 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587678225 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587678226 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587678244 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587678247 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587678250 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587678252 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678254 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678257 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678258 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678259 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678261 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678264 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678267 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2-c2cccc(Br)c2)N1 ZINC000587678269 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587678291 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587678296 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587678299 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587678302 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587678304 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587678313 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587678314 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587678315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587678316 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587678317 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587678318 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587678320 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587678342 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587678344 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587678345 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587678347 JK Annotated Anodyne CC[C@@]1(CCc2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678357 JK Annotated Anodyne CC[C@]1(CCc2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678360 JK Annotated Anodyne CC[C@@]1(CCc2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678362 JK Annotated Anodyne CC[C@]1(CCc2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678364 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587678380 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587678381 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587678382 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587678383 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587678408 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587678409 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587678410 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587678411 JK Annotated Reactive CC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678416 JK Annotated Anodyne CC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678417 JK Annotated Anodyne CC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678418 JK Annotated Anodyne CC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678419 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587678512 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587678514 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587678516 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587678518 JK Annotated Anodyne C=CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587678530 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587678535 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587678537 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587678539 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587678544 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587678545 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587678546 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)c(Br)c2)N1 ZINC000587678547 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678580 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678581 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678582 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678583 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678616 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678617 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678618 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678619 JK Annotated Anodyne C=CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678653 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678656 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678658 JK Annotated Mild C=CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678660 JK Annotated Mild COc1cc(Br)cc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587678686 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587678687 JK Annotated Anodyne COc1cc(Br)cc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587678688 JK Annotated Anodyne COc1cc(Br)cc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587678690 JK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587678692 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587678696 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587678698 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587678702 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587678703 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587678705 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587678708 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587678713 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587678751 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678759 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678760 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587678762 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678763 JK Annotated Anodyne CC(C)Oc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678765 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587678766 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587678769 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587678776 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587678784 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587678786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587678788 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587678790 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587678794 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587678795 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587678796 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587678797 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587678798 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587678799 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587678800 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587678814 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587678818 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587678819 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587678821 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587678823 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678826 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678827 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587678828 JK Annotated Reactive CC[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678829 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587678831 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587678834 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587678839 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678842 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678843 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678844 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678846 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587678851 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587678852 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587678853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587678854 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587678855 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587678856 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587678859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3cccc(Br)c3)C2)N1 ZINC000587678862 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3cccc(Br)c3)C2)N1 ZINC000587678865 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3cccc(Br)c3)C2)N1 ZINC000587678868 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3cccc(Br)c3)C2)N1 ZINC000587678872 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678876 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678884 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678887 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678890 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587678891 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587678895 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587678897 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587678900 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)CCc3ccc(Br)cc32)N1 ZINC000587678928 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C)CCc3ccc(Br)cc32)N1 ZINC000587678932 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587678936 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587678942 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678967 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678969 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678971 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)c(Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678973 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678976 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678979 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678982 JK Annotated Anodyne CCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678985 JK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678988 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587678990 JK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678991 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587678993 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678995 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678996 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587679035 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587679036 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587679038 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587679040 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2Br)N1 ZINC000587679055 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2Br)N1 ZINC000587679056 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2Br)N1 ZINC000587679057 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2Br)N1 ZINC000587679058 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)C ZINC000587679071 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)C ZINC000587679073 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)C ZINC000587679075 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)C ZINC000587679076 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)C ZINC000587679089 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)C ZINC000587679091 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)C ZINC000587679092 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)C ZINC000587679094 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587679101 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587679103 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587679104 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587679105 JK Annotated Anodyne C=CCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679116 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679117 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679118 JK Annotated Mild C=CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679119 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc(Br)c2)N1 ZINC000587679120 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc(Br)c2)N1 ZINC000587679121 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc(Br)c2)N1 ZINC000587679122 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc(Br)c2)N1 ZINC000587679123 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587679128 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587679129 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587679130 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587679131 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587679132 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587679133 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587679134 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C2CCOCC2)N1 ZINC000587679136 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587679141 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587679145 JK Annotated Reactive Cc1c(Br)ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679148 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587679149 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)Cl)cc12 ZINC000587679151 JK Annotated Reactive Cc1c(Br)ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679154 JK Annotated Anodyne Cc1c(Br)ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679155 JK Annotated Anodyne Cc1c(Br)ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679157 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587679175 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3cccc(Br)c3)[nH]2)N1 ZINC000587679177 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2Br)N1 ZINC000587679178 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2Br)N1 ZINC000587679179 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2Br)N1 ZINC000587679182 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2Br)N1 ZINC000587679186 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587679190 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679194 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679196 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587679199 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679201 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587679202 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587679205 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679213 JK Annotated Anodyne CC[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679220 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587679221 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587679223 JK Annotated Anodyne CC[C@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679224 JK Annotated Clean CC[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679227 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587679228 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587679229 JK Annotated Anodyne CC[C@]1(c2cc(Br)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679231 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587679233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587679235 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679236 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587679237 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CN=O)=COc1cc(Br)ccc12 ZINC000587679242 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679259 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587679260 JK Annotated Mild Cc1cc(Br)ccc1[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679262 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587679264 JK Annotated Mild Cc1cc(Br)ccc1[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679265 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587679268 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2Br)N1 ZINC000587679269 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587679271 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2Br)N1 ZINC000587679274 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587679276 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2Br)N1 ZINC000587679279 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2Br)N1 ZINC000587679282 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587679283 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679284 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587679289 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679291 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679300 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1CC2(C)C ZINC000587679301 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679302 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679303 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679304 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679306 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587679309 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587679312 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Cl)cc(Br)cc32)N1 ZINC000587679313 JK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587679317 JK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587679322 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587679327 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587679330 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587679332 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587679334 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587679335 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587679338 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(=O)Cl)N1 ZINC000587679340 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679341 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Br)cc2)N1 ZINC000587679342 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679344 JK Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679346 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 ZINC000587679349 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](C)Cl)N1 ZINC000587679353 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(Br)cc2)N1 ZINC000587679357 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679360 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(Br)cc2)N1 ZINC000587679362 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679364 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(Br)cc2)N1 ZINC000587679366 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679368 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679369 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(Br)cc2)N1 ZINC000587679370 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679372 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679373 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679375 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679379 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679380 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679386 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679391 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587679405 JK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679411 JK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679414 JK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679418 JK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587679420 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2Br)N1 ZINC000587679423 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2Br)N1 ZINC000587679426 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2Br)N1 ZINC000587679429 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2Br)N1 ZINC000587679432 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587679435 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587679441 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587679446 JK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679447 JK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679452 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587679453 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587679456 JK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679457 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587679460 JK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679462 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587679464 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679475 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679478 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679481 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Br)ccc3n2)N1 ZINC000587679485 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587679488 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587679501 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587679506 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587679512 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587679513 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Br)o2)N1 ZINC000587679514 JK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587679517 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587679519 JK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587679521 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Br)o2)N1 ZINC000587679522 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Br)o2)N1 ZINC000587679525 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Br)o2)N1 ZINC000587679527 JK Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccc(Br)cc1 ZINC000587679542 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587679543 JK Annotated Clean Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccc(Br)cc1 ZINC000587679544 JK Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccc(Br)cc1 ZINC000587679545 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587679546 JK Annotated Clean Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccc(Br)cc1 ZINC000587679547 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587679548 JK Annotated Clean COC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679549 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2O)N1 ZINC000587679551 JK Annotated Clean COC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679552 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679554 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679557 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587679559 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587679565 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587679570 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587679573 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587679577 JK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587679586 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587679587 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587679588 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587679590 JK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587679591 JK Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587679592 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587679593 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587679594 JK Annotated Mild COc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587679595 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587679596 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC#N)(c2ccc(Br)cc2)N1 ZINC000587679598 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587679608 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587679609 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587679610 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Br)cc2Cl)N1 ZINC000587679611 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587679612 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587679613 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587679614 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587679615 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679624 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679625 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679626 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679627 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679633 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679635 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679637 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679639 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2Br)N1 ZINC000587679640 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679641 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2Br)N1 ZINC000587679642 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2Br)N1 ZINC000587679643 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679644 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2Br)N1 ZINC000587679645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679650 JK Annotated Anodyne CC(C)C[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679651 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679652 JK Annotated Anodyne CC(C)C[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679653 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679654 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Br)c2)N1 ZINC000587679656 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679679 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679681 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587679682 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679683 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587679684 JK Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679685 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587679686 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587679687 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587679688 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587679689 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587679691 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587679693 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587679695 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587679697 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587679699 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2cccc(Br)c2)N1 ZINC000587679701 JK Annotated Reactive Cc1cc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679706 JK Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679708 JK Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679710 JK Annotated Anodyne Cc1cc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679712 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679714 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679735 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679738 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679741 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679744 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679746 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679749 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679752 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679754 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679758 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679760 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679762 JK Annotated Anodyne Cc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679772 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679774 JK Annotated Anodyne Cc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679777 JK Annotated Anodyne Cc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679780 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679812 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679814 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679816 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C)C(=O)O)(c2cccc(Br)c2)N1 ZINC000587679817 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679818 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C)C(=O)O)(c2cccc(Br)c2)N1 ZINC000587679819 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679820 JK Annotated Anodyne C[C@@H](C[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587679821 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679822 JK Annotated Anodyne C[C@@H](C[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587679823 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679824 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679826 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679828 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679832 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ncccc23)(C(Cl)(Cl)Cl)N1 ZINC000587679835 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679840 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679842 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679843 JK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679845 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587679867 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587679869 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587679871 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587679874 JK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 ZINC000587679907 JK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 ZINC000587679908 JK Annotated Anodyne CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 ZINC000587679909 JK Annotated Anodyne CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1 ZINC000587679910 JK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679911 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679912 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679913 JK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679914 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587679946 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587679947 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587679949 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587679951 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679963 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679966 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679969 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679971 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587679974 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587679976 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587679977 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587679979 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587679994 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587679996 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587679998 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Br)cc2)N1 ZINC000587679999 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680019 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680021 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680023 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680025 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587680026 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587680028 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587680029 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587680030 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587680031 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587680033 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587680034 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587680036 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680039 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680041 JK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680042 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680044 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680049 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680054 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680056 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680058 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680067 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680068 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680069 JK Annotated Anodyne COc1ccc2c(c1Br)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680071 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587680072 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587680075 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587680076 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587680077 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587680078 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587680079 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587680080 JK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680081 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587680082 JK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680083 JK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680085 JK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680086 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680088 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680090 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680092 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680093 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(Br)cc3)CC2)N1 ZINC000587680098 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(Br)cc3)CC2)N1 ZINC000587680099 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587680100 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587680101 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587680102 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)cc2)N1 ZINC000587680103 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680104 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680105 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680106 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680107 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680108 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680109 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680110 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680111 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2Br)N1 ZINC000587680112 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2Br)N1 ZINC000587680113 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2Br)N1 ZINC000587680114 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2Br)N1 ZINC000587680115 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680132 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680133 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680134 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680135 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(Br)c1 ZINC000587680140 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(Br)c1 ZINC000587680141 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(Br)c1 ZINC000587680142 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(Br)c1 ZINC000587680143 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2Br)N1 ZINC000587680148 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2Br)N1 ZINC000587680149 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2Br)N1 ZINC000587680150 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2Br)N1 ZINC000587680151 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680160 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680161 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680162 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587680163 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2Br)N1 ZINC000587680164 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2Br)N1 ZINC000587680165 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2Br)N1 ZINC000587680166 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2Br)N1 ZINC000587680167 JK Annotated Reactive CC(C)[C@]1(Cc2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680168 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680169 JK Annotated Anodyne CC(C)[C@]1(Cc2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680170 JK Annotated Anodyne CC(C)[C@@]1(Cc2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680171 JK Annotated Anodyne Cc1cc([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587680176 JK Annotated Anodyne Cc1cc([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587680177 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587680178 JK Annotated Anodyne Cc1cc([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587680179 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680180 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680181 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680182 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680183 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587680188 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587680189 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587680190 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)cc2Br)N1 ZINC000587680191 JK Annotated Anodyne CCOc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587680251 JK Annotated Clean CCOc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587680252 JK Annotated Clean CCOc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587680253 JK Annotated Clean CCOc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587680254 JK Annotated Clean CC(=O)Nc1ccc(Br)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680275 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680276 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680278 JK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680280 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587680283 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587680285 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587680287 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587680289 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587680303 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587680310 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587680312 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587680314 JK Annotated Reactive CC(C)COc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680323 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680324 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680325 JK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680326 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587680376 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587680377 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587680378 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587680379 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680388 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680389 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680390 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680391 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587680416 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587680417 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587680418 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)OCCCO3)N1 ZINC000587680419 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587680420 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587680421 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587680422 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587680423 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587680447 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587680449 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587680451 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587680452 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587680453 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587680455 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587680456 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587680458 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587680460 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587680461 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587680462 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587680463 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587680464 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587680465 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587680466 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)c3ccc(Br)cc32)N1 ZINC000587680468 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680471 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680472 JK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680473 JK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680474 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680480 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680481 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000587680482 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680503 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680507 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(Br)cc3c2=O)N1 ZINC000587680509 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587680538 JK Annotated Anodyne Cc1cc(Br)cc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587680539 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587680540 JK Annotated Anodyne Cc1cc(Br)cc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587680541 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587680542 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587680543 JK Annotated Anodyne Cc1cc(Br)cc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587680544 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587680545 JK Annotated Mild Cc1cc(Br)cc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587680546 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587680547 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587680549 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587680550 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587680568 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587680571 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587680572 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587680573 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc3cc(Br)ccc3c2)N1 ZINC000587680574 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587680575 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587680577 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587680578 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680588 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680589 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680590 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)ccc3nc2Cl)N1 ZINC000587680591 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587680612 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587680613 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587680614 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCCC2)N1 ZINC000587680615 JK Annotated Anodyne C#CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680624 JK Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680625 JK Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680626 JK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680627 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587680632 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587680633 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587680634 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)N1 ZINC000587680635 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587680636 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587680637 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587680638 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Br)(c2ccccc2)N1 ZINC000587680639 JK Annotated Anodyne C=CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587680652 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587680653 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587680654 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587680655 JK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680660 JK Annotated Anodyne CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680661 JK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680662 JK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680663 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680676 JK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680677 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680678 JK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680679 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587680682 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587680683 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587680684 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587680685 JK Annotated Anodyne COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680686 JK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680687 JK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680688 JK Annotated Reactive COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680689 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)c2cccc(Br)c2)N1 ZINC000587680751 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)c2cccc(Br)c2)N1 ZINC000587680752 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)c2cccc(Br)c2)N1 ZINC000587680754 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)c2cccc(Br)c2)N1 ZINC000587680756 JK Annotated Mild Cc1cc(Br)ccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680773 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680774 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680775 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680776 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587680781 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587680782 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587680784 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCC(C)(C)O)N1 ZINC000587680785 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587680787 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587680789 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587680791 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cc2N)N1 ZINC000587680792 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2Br)N1 ZINC000587680797 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2Br)N1 ZINC000587680798 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2Br)N1 ZINC000587680799 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2Br)N1 ZINC000587680800 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587680805 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587680806 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587680807 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)n3)cc2)N1 ZINC000587680808 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587680813 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587680814 JK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587680815 JK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587680816 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3c(Br)cccc23)N1 ZINC000587680829 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3c(Br)cccc23)N1 ZINC000587680830 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3c(Br)cccc23)N1 ZINC000587680831 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3c(Br)cccc23)N1 ZINC000587680832 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680845 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680846 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680847 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680849 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587680866 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587680867 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587680868 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587680869 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587680870 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587680871 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587680872 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587680873 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587680878 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587680879 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587680880 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3cc(Br)ccc23)N1 ZINC000587680882 JK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680884 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680885 JK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680886 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680887 JK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680888 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680889 JK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680890 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680891 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680906 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587680908 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680909 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680910 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680911 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587680927 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587680929 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587680931 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680948 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587680950 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680951 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587680952 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680953 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587680955 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(Br)c2)N1 ZINC000587680956 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587680958 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587680959 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587680962 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587680963 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(Br)c2O)N1 ZINC000587680965 JK Annotated Clean CC(C)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680975 JK Annotated Anodyne CC(C)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680976 JK Annotated Anodyne CC(C)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680980 JK Annotated Anodyne CC(C)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680983 JK Annotated Anodyne CCOc1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587680986 JK Annotated Anodyne CCOc1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587680989 JK Annotated Anodyne CCOc1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587680991 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587680992 JK Annotated Anodyne CCOc1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587680994 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587680999 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587681002 JK Annotated Anodyne CCOc1ccc(/C=C/[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681003 JK Annotated Anodyne CCOc1ccc(/C=C/[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681004 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587681005 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681006 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681008 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587681019 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681025 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587681026 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681029 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587681030 JK Annotated Anodyne COc1cc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2cc1Br ZINC000587681032 JK Annotated Clean Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681033 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587681035 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681037 JK Annotated Anodyne COc1cc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2cc1Br ZINC000587681041 JK Annotated Clean COc1cc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2cc1Br ZINC000587681044 JK Annotated Clean COc1cc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2cc1Br ZINC000587681049 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587681072 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587681074 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587681077 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(Br)c3)o2)N1 ZINC000587681079 JK Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccc(Br)cc1 ZINC000587681082 JK Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccc(Br)cc1 ZINC000587681084 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681085 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681087 JK Annotated Bother Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccc(Br)cc1 ZINC000587681088 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681090 JK Annotated Bother Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccc(Br)cc1 ZINC000587681091 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681092 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587681093 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681095 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681096 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587681097 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587681099 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587681101 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681102 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587681113 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587681123 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587681127 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587681130 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587681139 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587681143 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587681147 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2Br)(C(C)(C)C)N1 ZINC000587681151 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587681157 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587681165 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587681167 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587681169 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587681177 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587681178 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587681180 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587681181 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681285 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681296 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681299 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681302 JK Annotated Mild CCN(CC)c1cccc(Br)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681352 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681354 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681357 JK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681360 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587681362 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587681365 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587681368 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587681371 JK Annotated Bother COc1ccc(/C=C/[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681421 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681424 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681426 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681429 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587681431 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587681433 JK Annotated Bother CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681435 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587681436 JK Annotated Bother CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681437 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 ZINC000587681438 JK Annotated Bother CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681440 JK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681442 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587681450 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587681455 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587681457 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)cc(Cl)cc32)N1 ZINC000587681460 JK Annotated Anodyne CCOc1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681470 JK Annotated Anodyne CCOc1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681474 JK Annotated Anodyne CCOc1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681477 JK Annotated Anodyne CCOc1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681479 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587681483 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587681485 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587681488 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587681491 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587681495 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587681502 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587681505 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587681509 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587681523 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587681525 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587681527 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3cc(Br)ccc23)N1 ZINC000587681529 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587681532 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587681534 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587681536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587681537 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587681538 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587681540 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587681542 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587681543 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587681549 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587681550 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587681551 JK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587681553 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587681555 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587681556 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587681557 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587681558 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587681559 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587681560 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587681561 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(Br)cc3)no2)N1 ZINC000587681562 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587681563 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587681564 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587681565 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587681566 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587681567 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587681568 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587681569 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587681570 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587681579 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587681580 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587681581 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000587681582 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C(\Cl)c2ccc(Br)cc2)N1 ZINC000587681589 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C(\Cl)c2ccc(Br)cc2)N1 ZINC000587681590 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C(/Cl)c2ccc(Br)cc2)N1 ZINC000587681591 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C(/Cl)c2ccc(Br)cc2)N1 ZINC000587681592 JK Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681607 JK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681609 JK Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681611 JK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc2O1 ZINC000587681614 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587681617 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587681619 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587681620 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587681622 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681636 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681637 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681638 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681639 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681640 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681641 JK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681642 JK Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681643 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587681644 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587681646 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587681648 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587681650 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(Br)cc3)CC2)N1 ZINC000587681652 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587681653 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(Br)cc3)CC2)N1 ZINC000587681654 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587681655 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587681657 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587681660 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681662 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681664 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681666 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681669 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587681679 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587681680 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587681682 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587681683 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587681698 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587681699 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587681700 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587681701 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587681720 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587681721 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587681722 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587681723 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587681724 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587681725 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587681726 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587681727 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587681744 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587681745 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587681746 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587681747 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587681752 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587681753 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587681754 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587681755 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587681756 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587681757 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587681758 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587681759 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587681764 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587681765 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587681766 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587681767 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587681788 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587681789 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587681790 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587681791 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587681800 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587681801 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587681802 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587681803 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3Br)CC2)N1 ZINC000587681821 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3Br)CC2)N1 ZINC000587681823 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587681825 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587681827 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587681829 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCCCC2)N1 ZINC000587681830 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681865 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681867 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681869 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681871 JK Annotated Anodyne COCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681873 JK Annotated Anodyne COCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681874 JK Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681876 JK Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681879 JK Annotated Anodyne C=CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681881 JK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681884 JK Annotated Mild C=CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681886 JK Annotated Mild C=CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681889 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587681891 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587681894 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587681896 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCCCC2)N1 ZINC000587681898 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681910 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681912 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681914 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681916 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587681920 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587681922 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587681924 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)c(Br)c2)N1 ZINC000587681927 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 ZINC000587681930 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 ZINC000587681933 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2Br)N1 ZINC000587681934 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2Br)N1 ZINC000587681936 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Br)N1 ZINC000587681937 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2Br)N1 ZINC000587681938 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Br)N1 ZINC000587681940 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2Br)N1 ZINC000587681941 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587681943 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587681944 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587681946 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587681947 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587681949 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587681950 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2Br)N1 ZINC000587681951 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cccc(Br)c3o2)N1 ZINC000587681955 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587681978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587681982 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587681985 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681986 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Br)c2)N1 ZINC000587681987 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587681988 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681989 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681990 JK Annotated Clean COc1ccc(/C=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681991 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681992 JK Annotated Clean COc1ccc(/C=C/[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681993 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681994 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681997 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587682002 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587682003 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587682004 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587682005 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587682006 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587682007 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2Cl)(C2CC2)N1 ZINC000587682008 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682019 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682022 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682025 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682028 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682033 JK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682038 JK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682040 JK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682042 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587682044 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587682054 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587682057 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587682060 JK Annotated Reactive CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682064 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682066 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(Br)c2Br)N1 ZINC000587682067 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682068 JK Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682071 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587682073 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(Br)c2Br)N1 ZINC000587682074 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587682075 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(Br)c2Br)N1 ZINC000587682076 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587682077 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(Br)c2Br)N1 ZINC000587682078 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587682082 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587682106 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587682110 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587682112 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587682114 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587682120 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587682122 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587682123 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587682125 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587682144 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587682145 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587682146 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587682147 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587682152 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587682153 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587682154 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587682155 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682164 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682165 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682166 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682167 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682184 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682185 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682186 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682187 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587682188 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587682190 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587682191 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccco2)N1 ZINC000587682192 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587682203 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587682205 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587682207 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587682209 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587682253 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587682255 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587682257 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587682258 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587682259 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587682260 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587682261 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587682262 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587682263 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587682268 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587682269 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587682270 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587682299 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587682301 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587682303 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(Br)cc2)N1 ZINC000587682304 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587682329 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587682332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587682334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587682337 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587682338 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587682339 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587682341 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587682342 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Br)cc1 ZINC000587682343 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Br)cc1 ZINC000587682344 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Br)cc1 ZINC000587682345 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Br)cc1 ZINC000587682346 JK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587682366 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587682367 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587682368 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587682369 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587682370 JK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587682371 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587682372 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587682374 JK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587682377 JK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587682379 JK Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587682381 JK Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587682384 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587682387 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587682388 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587682390 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587682392 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587682394 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587682395 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587682396 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587682397 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587682424 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587682425 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587682426 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587682427 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682428 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682429 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682430 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682431 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682477 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682480 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682485 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587682487 JK Annotated Reactive CC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682536 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682537 JK Annotated Reactive CC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682539 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682540 JK Annotated Reactive CC[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682541 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682542 JK Annotated Reactive CC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682543 JK Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682544 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587682552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587682554 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587682556 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)c(Br)c2)N1 ZINC000587682557 JK Annotated Anodyne CC(C)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587682571 JK Annotated Anodyne CC(C)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587682572 JK Annotated Anodyne CC(C)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587682574 JK Annotated Anodyne CC(C)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587682575 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587682600 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587682602 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587682604 JK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587682606 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587682607 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587682609 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587682611 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cc(Br)ccc2N)N1 ZINC000587682614 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587682616 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587682618 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587682619 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(Br)c2)N1 ZINC000587682622 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682644 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682647 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682651 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587682653 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587682666 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587682669 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587682672 JK Annotated Reactive Cc1c(Br)ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682675 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587682677 JK Annotated Reactive Cc1c(Br)ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682678 JK Annotated Anodyne Cc1c(Br)ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682680 JK Annotated Anodyne Cc1c(Br)ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682683 JK Annotated Anodyne CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 ZINC000587682692 JK Annotated Anodyne CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 ZINC000587682694 JK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 ZINC000587682695 JK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1 ZINC000587682698 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682700 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682702 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682705 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587682707 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc3cc[nH]c23)(C(Cl)(Cl)Cl)N1 ZINC000587682708 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587682710 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587682713 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587682715 JK Annotated Bother CCc1cc(Br)ccc1-n1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682716 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682718 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682720 JK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682723 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587682725 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587682727 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587682729 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCC2(C)COC2)N1 ZINC000587682730 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587682731 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587682732 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587682733 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587682734 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682770 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682771 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682772 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682773 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682774 JK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682775 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682776 JK Annotated Anodyne CCCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682778 JK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682781 JK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682783 JK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682784 JK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587682785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587682794 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587682795 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587682800 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587682801 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587682802 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587682803 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682836 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682837 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682838 JK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682839 JK Annotated Reactive COc1ccc2c(c1Br)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682859 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682860 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682861 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682862 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587682906 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587682908 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587682910 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587682911 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587682924 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587682926 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587682928 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000587682930 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682976 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682979 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682981 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682985 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683002 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683004 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683007 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(Br)cc3)CC2)N1 ZINC000587683010 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683011 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(Br)cc3)CC2)N1 ZINC000587683012 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587683015 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587683016 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587683019 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)c3)cc2)N1 ZINC000587683021 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587683046 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587683048 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683054 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683055 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683056 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683057 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587683058 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587683059 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587683060 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccnc2)N1 ZINC000587683061 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683082 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683083 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683084 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683085 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587683096 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587683098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683117 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683120 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683122 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683126 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C)C(=O)O)(c2cccc(Br)c2)N1 ZINC000587683156 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C)C(=O)O)(c2cccc(Br)c2)N1 ZINC000587683158 JK Annotated Anodyne C[C@@H](C[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587683161 JK Annotated Anodyne C[C@@H](C[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587683163 JK Annotated Anodyne COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587683175 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587683178 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587683182 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587683185 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587683187 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587683189 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587683192 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCCCC2)N1 ZINC000587683194 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683219 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683223 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683226 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683229 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587683240 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587683243 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587683245 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587683248 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683250 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683253 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683255 JK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683258 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587683260 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587683263 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587683266 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2Br)N1 ZINC000587683268 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587683289 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587683291 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587683294 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCCC2)N1 ZINC000587683296 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587683359 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587683368 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587683369 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587683370 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3c(Br)cccc23)N1 ZINC000587683375 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3c(Br)cccc23)N1 ZINC000587683376 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3c(Br)cccc23)N1 ZINC000587683377 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3c(Br)cccc23)N1 ZINC000587683378 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587683388 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587683389 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587683402 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587683403 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587683404 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587683405 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587683422 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587683423 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587683424 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2NC(=O)CCl)N1 ZINC000587683425 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587683433 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683435 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587683436 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683437 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587683438 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683439 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587683440 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683441 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587683442 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587683444 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587683446 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587683448 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587683449 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587683451 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587683453 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587683454 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587683456 JK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587683458 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683459 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683461 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683462 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)[nH]c3cc(Br)ccc23)N1 ZINC000587683464 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587683465 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587683466 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587683467 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccc(Br)cc3c2Cl)N1 ZINC000587683468 JK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683480 JK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683485 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587683486 JK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(CCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683487 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587683488 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587683489 JK Annotated Anodyne CCCCCCCCc1ccc([C@]2(CCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683490 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Br)cnc3c2)N1 ZINC000587683491 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587683520 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587683522 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587683524 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587683526 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587683543 JK Annotated Anodyne C=CCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683544 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587683545 JK Annotated Anodyne C=CCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683546 JK Annotated Mild C=CCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683547 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587683548 JK Annotated Anodyne C=CCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683549 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNc3ccc(Br)cc32)N1 ZINC000587683550 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587683565 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587683567 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587683570 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Cl)cc(Br)cc32)N1 ZINC000587683572 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587683581 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587683584 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587683586 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587683588 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683591 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683594 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683596 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683598 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587683645 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587683647 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587683648 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587683649 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587683662 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587683663 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587683664 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(Cl)=N/Nc2ccc(Br)cc2)N1 ZINC000587683665 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587683674 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587683675 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587683676 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3)cc2)N1 ZINC000587683677 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587683678 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587683679 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587683680 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CC2)(c2ccc(Br)cc2)N1 ZINC000587683681 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587683690 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587683691 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587683692 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587683693 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683711 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683713 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683715 JK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683717 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587683718 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587683719 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587683720 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587683721 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587683722 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587683723 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(COc3ccccc3Br)CCC2)N1 ZINC000587683724 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587683725 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587683731 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587683732 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587683733 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587683734 JK Annotated Bother CCc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683742 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683744 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683745 JK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683747 JK Annotated Anodyne COc1cccc(COC2=COC(CCl)=C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587683778 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587683782 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587683784 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587683787 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587683805 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587683806 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587683807 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587683808 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587683809 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587683810 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587683811 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587683812 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587683832 JK Annotated Reactive COc1ccc2c(Br)ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587683833 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587683835 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587683837 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587683839 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683841 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683843 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683845 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCl)N1 ZINC000587683847 JK Annotated Reactive COc1ccc2c(Br)ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587683849 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587683850 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587683851 JK Annotated Clean COc1ccc2c(Br)ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587683852 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587683853 JK Annotated Clean COc1ccc2c(Br)ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587683854 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587683855 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587683857 JK Annotated Clean C=CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683859 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587683860 JK Annotated Reactive C=CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683861 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587683863 JK Annotated Reactive C=CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683864 JK Annotated Mild C=CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683866 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587683867 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587683868 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683869 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587683871 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683872 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683873 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587683874 JK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683875 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)(C(Cl)(Cl)Cl)N1 ZINC000587683876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587683905 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587683906 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587683908 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587683909 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587683910 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587683911 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587683912 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587683913 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587683914 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)[nH]c3cccc(Br)c23)N1 ZINC000587683915 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587683916 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1 ZINC000587683918 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587683976 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587683979 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587683981 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1 ZINC000587683982 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684000 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684001 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684002 JK Annotated Reactive CCCCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684003 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587684036 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587684037 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587684038 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587684039 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587684044 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587684045 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587684046 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C(C)(C)CCl)c2)N1 ZINC000587684047 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587684104 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587684106 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587684108 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2)N1 ZINC000587684109 JK Annotated Reactive CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684111 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684112 JK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684114 JK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684116 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587684145 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587684146 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587684147 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCCC2)N1 ZINC000587684148 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684161 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684164 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684167 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684169 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(Br)cc3)CC2)N1 ZINC000587684172 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(Br)cc3)CC2)N1 ZINC000587684175 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587684197 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587684200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587684204 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3cc(Br)ccc32)N1 ZINC000587684206 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587684208 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587684210 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587684212 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=N)N1 ZINC000587684214 JK Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684223 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587684226 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587684230 JK Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684231 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587684233 JK Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684234 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3Br)o2)N1 ZINC000587684236 JK Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684238 JK Annotated Anodyne Cc1cc(Br)cc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587684251 JK Annotated Anodyne Cc1cc(Br)cc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587684254 JK Annotated Anodyne Cc1cc(Br)cc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587684256 JK Annotated Anodyne Cc1cc(Br)cc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587684258 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc(Br)c2)N1 ZINC000587684264 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc(Br)c2)N1 ZINC000587684266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc(Br)c2)N1 ZINC000587684269 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc(Br)c2)N1 ZINC000587684271 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684287 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684289 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684291 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684293 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587684294 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587684295 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587684296 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587684297 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587684298 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587684299 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cc(Br)ccc2O)N1 ZINC000587684300 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1CC21CCOCC1 ZINC000587684301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587684317 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587684319 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587684321 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587684323 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587684333 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587684334 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587684337 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587684339 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587684342 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587684345 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587684348 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587684359 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587684400 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587684402 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587684403 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(Br)cc2)(C(C)(C)C)N1 ZINC000587684405 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587684412 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587684413 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587684414 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587684416 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587684432 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587684433 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587684434 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc(Br)cc2)N1 ZINC000587684436 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684440 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684442 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c(Br)cccc32)N1 ZINC000587684443 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684444 JK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684445 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684450 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684451 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684452 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CCOCC2)N1 ZINC000587684453 JK Annotated Anodyne C=CCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684454 JK Annotated Mild C=CCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684455 JK Annotated Mild C=CCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684456 JK Annotated Mild C=CCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684457 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587684458 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587684459 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587684460 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(Br)cc3)c2)N1 ZINC000587684461 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c(Br)cccc32)N1 ZINC000587684470 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c(Br)cccc32)N1 ZINC000587684472 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c(Br)cccc32)N1 ZINC000587684475 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)nc2Br)N1 ZINC000587684477 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)nc2Br)N1 ZINC000587684478 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)nc2Br)N1 ZINC000587684479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)nc2Br)N1 ZINC000587684480 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587684496 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587684498 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587684500 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C(C)(C)CCl)cc2)N1 ZINC000587684502 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587684535 JK Annotated Reactive CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684537 JK Annotated Bother CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684538 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587684539 JK Annotated Reactive CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684540 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587684541 JK Annotated Reactive CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684542 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587684543 JK Annotated Reactive COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684554 JK Annotated Reactive COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684561 JK Annotated Reactive COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684562 JK Annotated Reactive COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684563 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684568 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684569 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684570 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684571 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587684588 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587684589 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587684590 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587684591 JK Annotated Reactive CC(C)Oc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684638 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684639 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684641 JK Annotated Anodyne CC(C)Oc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684643 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587684645 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587684655 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587684657 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587684659 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587684660 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587684661 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587684663 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(Br)cc2Cl)N1 ZINC000587684665 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587684667 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587684669 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587684671 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2cccc(Br)c2)(C(C)(C)C)N1 ZINC000587684673 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684681 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684682 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684684 JK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684685 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684687 JK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684688 JK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684690 JK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684691 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684701 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684703 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684706 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684708 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587684744 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587684745 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587684746 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587684747 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587684760 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587684761 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587684762 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587684763 JK Annotated Reactive CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587684796 JK Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587684797 JK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587684798 JK Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc2O1 ZINC000587684799 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587684812 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587684813 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587684814 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587684815 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587684816 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587684817 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587684818 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc(Br)ccc3oc2=O)N1 ZINC000587684819 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587684828 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587684829 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587684830 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(Br)cc3n2C)N1 ZINC000587684831 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587684848 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587684849 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587684850 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587684851 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587684852 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587684853 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587684854 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Br)cc(Cl)cc32)N1 ZINC000587684855 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587684860 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587684861 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587684862 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc(Br)ccc3o2)N1 ZINC000587684863 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587684888 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587684889 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587684891 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587684893 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587684894 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587684896 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587684899 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CCl)ccc12 ZINC000587684901 JK Annotated Reactive COc1cc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2cc1Br ZINC000587684902 JK Annotated Clean COc1cc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2cc1Br ZINC000587684903 JK Annotated Clean COc1cc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2cc1Br ZINC000587684905 JK Annotated Clean COc1cc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2cc1Br ZINC000587684906 JK Annotated Clean COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684962 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684971 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684973 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684976 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587684992 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587684995 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587684996 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N1 ZINC000587685000 JK Annotated Anodyne CC[C@@]1(CCc2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685015 JK Annotated Anodyne CC[C@]1(CCc2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685018 JK Annotated Anodyne CC[C@@]1(CCc2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685020 JK Annotated Anodyne CC[C@]1(CCc2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685023 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685039 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685041 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685045 JK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685049 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587685051 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587685062 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587685064 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587685065 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587685066 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)Cl)ccc12 ZINC000587685067 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587685068 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587685069 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587685071 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587685075 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587685098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587685101 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587685103 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3cccc(Br)c23)N1 ZINC000587685104 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587685118 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587685119 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587685121 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Br)[nH]2)N1 ZINC000587685122 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587685174 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587685177 JK Annotated Reactive Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Br)c1 ZINC000587685188 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Br)c1 ZINC000587685189 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Br)c1 ZINC000587685190 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Br)c1 ZINC000587685191 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587685192 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(NC(=O)c3ccccc3)cc2)N1 ZINC000587685193 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587685194 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587685195 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587685196 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587685197 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685198 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685199 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685200 JK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685201 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685206 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685207 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685208 JK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685209 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587685214 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587685215 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587685216 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1 ZINC000587685217 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587685222 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587685223 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587685224 JK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587685225 JK Annotated Reactive COc1ccc2cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl ZINC000587685226 JK Annotated Reactive COc1ccc2cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl ZINC000587685227 JK Annotated Reactive COc1ccc2cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl ZINC000587685228 JK Annotated Reactive COc1ccc2cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Cl ZINC000587685229 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587685238 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587685239 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587685240 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCCl)N1 ZINC000587685241 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685274 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685275 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685276 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685277 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587685298 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587685299 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587685300 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3cc(O)[nH]c3cc2Cl)N1 ZINC000587685301 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587685320 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587685324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587685327 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587685329 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587685332 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587685333 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587685335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587685336 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587685338 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587685339 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587685341 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)[nH]c3cc(Br)ccc23)N1 ZINC000587685343 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587685345 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587685348 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587685351 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1ccc(Cl)cc12 ZINC000587685354 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587685355 JK Annotated Anodyne CCCCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685358 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587685359 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587685361 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587685363 JK Annotated Anodyne CCCCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685365 JK Annotated Reactive CCCCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685367 JK Annotated Reactive CCCCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685370 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c(Br)cccc32)N1 ZINC000587685409 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c(Br)cccc32)N1 ZINC000587685412 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685414 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c(Br)cccc32)N1 ZINC000587685417 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685419 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c(Br)cccc32)N1 ZINC000587685420 JK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685421 JK Annotated Anodyne CC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587685423 JK Annotated Anodyne CC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587685424 JK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685425 JK Annotated Anodyne CC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587685426 JK Annotated Anodyne CC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587685429 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587685441 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587685444 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587685447 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ncc(Br)cn3)c2)N1 ZINC000587685450 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587685497 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587685499 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587685502 JK Annotated Anodyne Cc1cc(Br)c2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587685505 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587685508 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587685511 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587685514 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 ZINC000587685517 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2Br)N1 ZINC000587685534 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2Br)N1 ZINC000587685536 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2Br)N1 ZINC000587685538 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2Br)N1 ZINC000587685539 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587685540 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587685542 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587685545 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2n(C)c2ccc(Br)cc32)N1 ZINC000587685547 JK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685555 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685558 JK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685560 JK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685562 JK Annotated Anodyne COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685608 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685609 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685611 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685613 JK Annotated Reactive COC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685625 JK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685628 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685630 JK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685633 JK Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685672 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685677 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685679 JK Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685681 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3cccc(Br)c3)C2)N1 ZINC000587685682 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3cccc(Br)c3)C2)N1 ZINC000587685685 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3cccc(Br)c3)C2)N1 ZINC000587685686 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3cccc(Br)c3)C2)N1 ZINC000587685688 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587685725 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587685727 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587685729 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCCl)cc2)N1 ZINC000587685731 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685747 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587685748 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685749 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587685750 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685751 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587685752 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685753 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(Br)c2)N1 ZINC000587685754 JK Annotated Anodyne Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587685766 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587685775 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587685778 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587685782 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685794 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685797 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685798 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685800 JK Annotated Reactive CC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685806 JK Annotated Anodyne CC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685808 JK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685809 JK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685811 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587685816 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587685817 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587685819 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)c3)o2)N1 ZINC000587685820 JK Annotated Anodyne Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl ZINC000587685850 JK Annotated Reactive Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl ZINC000587685866 JK Annotated Reactive Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl ZINC000587685868 JK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)CCl ZINC000587685870 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587685884 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587685885 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587685886 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587685887 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685931 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685933 JK Annotated Mild CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685934 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685935 JK Annotated Mild CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685936 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC#N)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685937 JK Annotated Mild CC(C)C(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685938 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685939 JK Annotated Anodyne CC(C)C(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685940 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685941 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685943 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685944 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587685968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587685970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587685972 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587685974 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587685976 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587685978 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587685980 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3cc(Br)ccc3c2=O)N1 ZINC000587685982 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587686014 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587686016 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587686019 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587686021 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(Br)c2Br)N1 ZINC000587686042 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(Br)c2Br)N1 ZINC000587686044 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(Br)c2Br)N1 ZINC000587686046 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(Br)c2Br)N1 ZINC000587686047 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587686050 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587686054 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587686059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(Br)n2)N1 ZINC000587686062 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587686063 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587686067 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587686069 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccc2N)N1 ZINC000587686071 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686080 JK Annotated Reactive COc1cc2c(cc1Br)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686083 JK Annotated Anodyne COc1cc2c(cc1Br)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686085 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686086 JK Annotated Reactive COc1cc2c(cc1Br)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686088 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686090 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686092 JK Annotated Reactive COc1cc2c(cc1Br)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686093 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587686116 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587686120 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587686123 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2ccc(Br)cc2)N1 ZINC000587686126 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(Br)cc3)C2)N1 ZINC000587686129 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(Br)cc3)C2)N1 ZINC000587686132 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(Br)cc3)C2)N1 ZINC000587686134 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(Br)cc3)C2)N1 ZINC000587686137 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587686169 JK Annotated Anodyne CC(C)c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587686171 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587686172 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587686174 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587686176 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(Br)c2)N1 ZINC000587686178 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587686180 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587686184 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587686195 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587686199 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587686203 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587686207 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587686251 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587686254 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587686257 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c3ccccc23)N1 ZINC000587686260 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)CCc3ccc(Br)cc32)N1 ZINC000587686263 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C)CCc3ccc(Br)cc32)N1 ZINC000587686264 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587686267 JK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587686269 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587686279 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587686280 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587686281 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587686282 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587686292 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587686293 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587686294 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587686295 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686300 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686301 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686302 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686303 JK Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686312 JK Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686313 JK Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686314 JK Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587686315 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 ZINC000587686324 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 ZINC000587686325 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 ZINC000587686326 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1 ZINC000587686327 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587686346 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587686347 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587686348 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Cl)cc12 ZINC000587686349 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587686358 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587686359 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587686360 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2c[nH]c3ccc(C#N)cc23)N1 ZINC000587686361 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686426 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686427 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686428 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCCl)CCCl)cc2)N1 ZINC000587686429 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587686448 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587686449 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587686450 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587686451 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587686452 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587686453 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587686454 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587686455 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587686464 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)nc2Br)N1 ZINC000587686466 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)nc2Br)N1 ZINC000587686468 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)nc2Br)N1 ZINC000587686469 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)nc2Br)N1 ZINC000587686471 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587686478 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587686481 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587686484 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587686501 JK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686502 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587686503 JK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686504 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587686505 JK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686506 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)c(NC(=O)C(C)(C)C)c2)N1 ZINC000587686507 JK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686508 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Br)o2)N1 ZINC000587686509 JK Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686510 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Br)o2)N1 ZINC000587686511 JK Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686512 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Br)o2)N1 ZINC000587686513 JK Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686514 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Br)o2)N1 ZINC000587686515 JK Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686517 JK Annotated Reactive CCCCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686535 JK Annotated Reactive CCCCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686538 JK Annotated Reactive CCCCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686539 JK Annotated Reactive CCCCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686542 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2Br)N1 ZINC000587686551 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2Br)N1 ZINC000587686553 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2Br)N1 ZINC000587686555 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2Br)N1 ZINC000587686558 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587686617 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587686618 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587686620 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1 ZINC000587686622 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587686647 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587686650 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587686653 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)N1 ZINC000587686656 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587686672 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587686674 JK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587686676 JK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587686677 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587686699 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587686701 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587686703 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587686705 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587686720 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587686721 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587686722 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587686723 JK Annotated Reactive CC[C@H](O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587686728 JK Annotated Anodyne CC[C@H](O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587686729 JK Annotated Anodyne CC[C@H](O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587686730 JK Annotated Anodyne CC[C@H](O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587686731 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587686732 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587686733 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587686734 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587686735 JK Annotated Reactive COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587686750 JK Annotated Reactive COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587686751 JK Annotated Reactive COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587686752 JK Annotated Reactive COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587686753 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587686775 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587686777 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587686779 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(Br)cc23)N1 ZINC000587686784 JK Annotated Anodyne COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686801 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686802 JK Annotated Reactive COc1cc2occ(O)c2cc1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686804 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587686805 JK Annotated Anodyne COc1cc2occ(O)c2cc1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686806 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587686811 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587686814 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587686818 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587686833 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587686835 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587686837 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ncc(Br)cc23)N1 ZINC000587686839 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587686848 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587686850 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587686852 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3ccc(Br)cc32)N1 ZINC000587686855 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587686857 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587686860 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587686862 JK Annotated Anodyne COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686863 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccc(Br)cc32)N1 ZINC000587686864 JK Annotated Anodyne COc1ccc2[nH]c(C)c([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686865 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686867 JK Annotated Reactive COc1ccc2[nH]c(C)c([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686869 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686899 JK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686900 JK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686902 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686904 JK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686905 JK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686907 JK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686909 JK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686910 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587686924 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587686925 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587686926 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587686927 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587686928 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587686929 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587686930 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000587686931 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587686936 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587686937 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587686938 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587686939 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587686948 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587686949 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587686950 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587686951 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 ZINC000587686968 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 ZINC000587686969 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 ZINC000587686970 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccon1 ZINC000587686971 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587686972 JK Annotated Reactive COc1ccc2cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl ZINC000587686977 JK Annotated Reactive COc1ccc2cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl ZINC000587686978 JK Annotated Reactive COc1ccc2cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl ZINC000587686979 JK Annotated Reactive COc1ccc2cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Cl ZINC000587686980 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587686981 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587686982 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587686983 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)CC(=O)N3)N1 ZINC000587686984 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687000 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687005 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687007 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587687069 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587687070 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587687071 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)OC=C2OCc2ccccc2)N1 ZINC000587687072 JK Annotated Reactive CC[C@H](O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587687083 JK Annotated Anodyne CC[C@H](O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587687084 JK Annotated Anodyne CC[C@H](O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587687086 JK Annotated Anodyne CC[C@H](O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587687088 JK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687104 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687107 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687109 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687111 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587687112 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587687114 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587687116 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587687118 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587687136 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587687137 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587687138 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587687139 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587687150 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587687151 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587687152 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3c(Br)cccc23)N1 ZINC000587687153 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2Br)N1 ZINC000587687186 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2Br)N1 ZINC000587687187 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2Br)N1 ZINC000587687188 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2Br)N1 ZINC000587687189 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587687190 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587687191 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587687192 JK Annotated Anodyne COc1ccc2c(Br)ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587687193 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587687198 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587687201 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587687203 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 ZINC000587687206 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c3cccnc23)N1 ZINC000587687213 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c3cccnc23)N1 ZINC000587687215 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c3cccnc23)N1 ZINC000587687217 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c3cccnc23)N1 ZINC000587687218 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587687236 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587687239 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587687241 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Br)ccc(O)c3n2)N1 ZINC000587687243 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587687258 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587687259 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587687262 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587687265 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587687308 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587687310 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587687311 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)N1 ZINC000587687312 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C ZINC000587687335 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C ZINC000587687339 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C ZINC000587687342 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C(C)C)c1C ZINC000587687343 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687388 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687394 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687395 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687396 JK Annotated Reactive Cc1cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl ZINC000587687471 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587687472 JK Annotated Anodyne Cc1cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl ZINC000587687475 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587687476 JK Annotated Anodyne Cc1cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl ZINC000587687478 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587687480 JK Annotated Anodyne Cc1cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)CCl ZINC000587687481 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3ccc(Br)cc32)N1 ZINC000587687482 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587687493 JK Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587687496 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587687498 JK Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1Br ZINC000587687500 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587687527 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587687528 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587687529 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ncc(Br)cc3c2)N1 ZINC000587687530 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587687537 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587687540 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587687541 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3ccc(Br)cc23)N1 ZINC000587687542 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587687552 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587687555 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587687558 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587687560 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587687592 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587687593 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587687594 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc(Br)c3n2)N1 ZINC000587687597 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587687605 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587687606 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587687607 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587687608 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587687609 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587687610 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc(Br)ccc32)N1 ZINC000587687613 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(Br)cc(Cl)cn23)N1 ZINC000587687614 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687616 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687618 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687620 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687622 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587687672 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587687673 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587687675 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(C(=O)Cl)cccc12 ZINC000587687678 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587687720 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587687721 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587687722 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 ZINC000587687723 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 ZINC000587687736 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 ZINC000587687737 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 ZINC000587687738 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1OCc1ccccc1 ZINC000587687739 JK Annotated Reactive C[C@H](Cl)[C@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687768 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 ZINC000587687769 JK Annotated Reactive C[C@H](Cl)[C@@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687770 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 ZINC000587687771 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687808 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687809 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687810 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687811 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687812 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687813 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687814 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687815 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587687816 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587687817 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587687818 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587687819 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687836 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687837 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687838 JK Annotated Reactive COC[C@H](C)n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687839 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587687840 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587687841 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587687842 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587687843 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587687852 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587687853 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587687854 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587687855 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687901 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687917 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687919 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687920 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 ZINC000587687962 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 ZINC000587687969 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 ZINC000587687970 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC1=CCCCC1 ZINC000587687972 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587687974 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587687975 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587687977 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587687978 JK Annotated Reactive COc1cc(Br)cc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587688034 JK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587688035 JK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587688036 JK Annotated Anodyne COc1cc(Br)cc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 ZINC000587688037 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587688038 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587688039 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587688040 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cc3cc(Br)ccc3o2)N1 ZINC000587688041 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587688044 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587688045 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587688046 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1NC21CC1 ZINC000587688049 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587688082 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587688088 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587688091 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(N)ccc1-c1ccc(Br)cc12 ZINC000587688100 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688124 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688125 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688128 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c[nH]c3ccc(Br)cc23)N1 ZINC000587688135 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587688142 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587688143 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587688145 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)N1 ZINC000587688147 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688176 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688178 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688179 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688180 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587688201 JK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587688202 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587688203 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587688204 JK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587688205 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 ZINC000587688206 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587688207 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587688208 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587688209 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587688210 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587688212 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587688213 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C ZINC000587688215 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C ZINC000587688218 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C ZINC000587688219 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC(C)C ZINC000587688220 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 ZINC000587688222 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 ZINC000587688224 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 ZINC000587688225 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 ZINC000587688227 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688245 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688246 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688247 JK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688248 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 ZINC000587688313 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 ZINC000587688314 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 ZINC000587688315 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1 ZINC000587688316 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587688317 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587688318 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587688319 JK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587688320 JK Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688358 JK Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688359 JK Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688360 JK Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688361 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 ZINC000587688362 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 ZINC000587688366 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 ZINC000587688369 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccn1 ZINC000587688371 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587688406 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587688407 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688410 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688411 JK Annotated Reactive COc1ccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587688482 JK Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587688483 JK Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587688484 JK Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1Br ZINC000587688485 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587688486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587688487 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587688488 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncc(Br)cn3)cc2)N1 ZINC000587688489 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688490 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688491 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688492 JK Annotated Anodyne COc1ccc(Br)c2c1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688493 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688502 JK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688503 JK Annotated Anodyne CC(C)CN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688504 JK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688506 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587688514 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587688515 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587688517 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccc(Br)cc23)N1 ZINC000587688519 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587688520 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587688521 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587688522 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cn2)N1 ZINC000587688523 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587688525 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587688527 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587688529 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc3cc[nH]c23)N1 ZINC000587688531 JK Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688536 JK Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688537 JK Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688538 JK Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688539 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688544 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688545 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688546 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688547 JK Annotated Anodyne Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587688561 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587688563 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587688564 JK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587688566 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C ZINC000587688609 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C ZINC000587688611 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C ZINC000587688613 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C(C)C)c1C ZINC000587688614 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 ZINC000587688616 JK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 ZINC000587688618 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 ZINC000587688620 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 ZINC000587688622 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587688645 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587688646 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587688647 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 ZINC000587688648 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 ZINC000587688661 JK Annotated Reactive C[C@H](Cl)[C@]1(/C=C2\N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688662 JK Annotated Reactive C[C@H](Cl)[C@]1(/C=C2/N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688663 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 ZINC000587688664 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C ZINC000587688689 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C ZINC000587688690 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C ZINC000587688691 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C2CC2)c1C ZINC000587688692 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 ZINC000587688739 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 ZINC000587688740 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 ZINC000587688741 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 ZINC000587688742 JK Annotated Reactive C[C@H](Cl)[C@@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688763 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 ZINC000587688764 JK Annotated Reactive C[C@H](Cl)[C@]1(C(C#N)=C2Nc3ccccc3N2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688765 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(C#N)=C2Nc3ccccc3N2)([C@@H](C)Cl)N1 ZINC000587688766 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@@H](C)c1ccccc1 ZINC000587688787 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@H](C)c1ccccc1 ZINC000587688788 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@@H](C)c1ccccc1 ZINC000587688789 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1[C@H](C)c1ccccc1 ZINC000587688790 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587688829 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587688832 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587688833 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc3cc(Br)ccc23)N1 ZINC000587688835 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587688837 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587688842 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587688843 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cc(Br)ccc23)N1 ZINC000587688844 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688859 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688862 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688865 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cc(Br)cn3)cc2)N1 ZINC000587688867 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587688879 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587688880 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587688882 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccc(Br)cc3n2)N1 ZINC000587688884 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587688887 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587688892 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587688894 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(Br)cc3oc2=O)N1 ZINC000587688899 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587688904 JK Annotated Anodyne CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688906 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587688907 JK Annotated Anodyne CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688908 JK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688909 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587688910 JK Annotated Anodyne CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688911 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1OC2(C)C ZINC000587688913 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cncc2Br)N1 ZINC000587688918 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cncc2Br)N1 ZINC000587688919 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cncc2Br)N1 ZINC000587688920 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cncc2Br)N1 ZINC000587688921 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587688923 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587688926 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587688930 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(Br)cc12 ZINC000587688931 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688967 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688968 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688969 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688971 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689013 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689015 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689016 JK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689017 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C ZINC000587689019 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587689020 JK Annotated Anodyne CCOC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C ZINC000587689021 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587689022 JK Annotated Anodyne CCOC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C ZINC000587689023 JK Annotated Reactive CCOC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(CC)c1C ZINC000587689024 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587689025 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)N1 ZINC000587689028 JK Annotated Anodyne CCOC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C ZINC000587689043 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C ZINC000587689044 JK Annotated Reactive CCOC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C ZINC000587689045 JK Annotated Reactive CCOC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(CC)c1C ZINC000587689046 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689114 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689115 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689116 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689117 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 ZINC000587689166 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 ZINC000587689167 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 ZINC000587689168 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccon1 ZINC000587689169 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 ZINC000587689174 JK Annotated Reactive C[C@H](Cl)[C@]1(/C=C2/N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689175 JK Annotated Reactive C[C@H](Cl)[C@]1(/C=C2\N(C)c3ccccc3C2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689176 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/N(C)c3ccccc3C2(C)C)([C@@H](C)Cl)N1 ZINC000587689177 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1 ZINC000587689194 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1 ZINC000587689195 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1 ZINC000587689196 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1 ZINC000587689197 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689207 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689208 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689209 JK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689212 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(OC(=O)[C@@H](C)Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689217 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587689218 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(=O)[C@@H](C)Cl)cc2)([C@@H](C)Cl)N1 ZINC000587689219 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587689220 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689256 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689258 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689259 JK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689260 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C ZINC000587689261 JK Annotated Reactive COC(=O)c1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C ZINC000587689264 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C ZINC000587689265 JK Annotated Reactive COC(=O)c1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C2CC2)c1C ZINC000587689266 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587689291 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587689293 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587689296 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587689298 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 ZINC000587689307 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 ZINC000587689308 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 ZINC000587689309 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 ZINC000587689310 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 ZINC000587689402 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 ZINC000587689403 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 ZINC000587689404 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 ZINC000587689405 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689454 JK Annotated Reactive CC(C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689455 JK Annotated Reactive CC(C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689456 JK Annotated Reactive CC(C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689457 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587689482 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(NC(=O)C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587689483 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689484 JK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689485 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 ZINC000587689510 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 ZINC000587689511 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 ZINC000587689512 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1OCc1ccccc1 ZINC000587689513 JK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(OC(=O)[C@@H](C)Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689518 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689519 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(=O)[C@@H](C)Cl)cc2)([C@@H](C)Cl)N1 ZINC000587689520 JK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689521 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 ZINC000587689554 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 ZINC000587689555 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 ZINC000587689556 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 ZINC000587689557 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587689562 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587689563 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587689564 JK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587689565 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 ZINC000587689750 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 ZINC000587689751 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 ZINC000587689752 JK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 ZINC000587689753 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 ZINC000587689754 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 ZINC000587689755 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 ZINC000587689756 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccn1 ZINC000587689757 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689766 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689767 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689768 JK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689769 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689770 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689771 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689772 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C3CC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689773 JK Annotated Anodyne Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689774 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689775 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689776 JK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689777 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587689786 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587689787 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587689788 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)N1 ZINC000587689789 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 ZINC000587689802 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\C=Cc3ccccc3N2)N1 ZINC000587689803 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 ZINC000587689804 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/C=Cc3ccccc3N2)N1 ZINC000587689805 JK Annotated Reactive CC(C)c1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689810 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689811 JK Annotated Reactive CC(C)c1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689812 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)c1 ZINC000587689813 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 ZINC000587689854 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 ZINC000587689855 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 ZINC000587689856 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCC1=CCCCC1 ZINC000587689857 JK Annotated Reactive CC(C)c1ccc([C@@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587689894 JK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587689895 JK Annotated Reactive CC(C)c1ccc([C@@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587689896 JK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)c1 ZINC000587689897 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587689959 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587689961 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587689963 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587689966 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587689979 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587689980 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587689981 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587689982 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587690023 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587690024 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587690025 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587690026 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1 ZINC000587690035 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1 ZINC000587690036 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1 ZINC000587690037 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1 ZINC000587690038 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587690039 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587690040 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587690042 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 ZINC000587690044 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587690102 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587690103 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587690104 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\N(C)c3ccccc3C2(C)C)(CCl)N1 ZINC000587690105 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@@H](C)c1ccccc1 ZINC000587690126 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@H](C)c1ccccc1 ZINC000587690127 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@@H](C)c1ccccc1 ZINC000587690128 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1[C@H](C)c1ccccc1 ZINC000587690129 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587690154 JK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587690155 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587690156 JK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 ZINC000587690157 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C ZINC000587690162 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C ZINC000587690163 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C ZINC000587690164 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCC(C)C ZINC000587690165 JK Annotated Reactive CCCCC[C@@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690953 JK Annotated Clean CCCCC[C@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690954 JK Annotated Clean CCCCC[C@@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690955 JK Annotated Clean CCCCC[C@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690956 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587690961 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587690962 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587690963 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587690964 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587690973 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587690974 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587690975 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587690976 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587690985 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587690986 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587690987 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587690988 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587690989 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587690990 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587690991 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587690992 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587691029 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587691030 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587691031 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587691032 JK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1 ZINC000587691049 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1 ZINC000587691050 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1 ZINC000587691051 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1 ZINC000587691052 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691053 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691054 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691055 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691056 JK Annotated Anodyne COc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587691093 JK Annotated Bother COc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587691094 JK Annotated Bother COc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587691095 JK Annotated Bother COc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587691096 JK Annotated Bother COc1cccc(COc2cccc(Cl)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587691101 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587691102 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587691103 JK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587691104 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691109 JK Annotated Clean Cc1cc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691110 JK Annotated Clean Cc1cc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691111 JK Annotated Clean Cc1cc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691112 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587691141 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587691142 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587691143 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587691144 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587691145 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587691146 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587691147 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587691148 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587691161 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587691162 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587691163 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587691164 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587691165 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587691166 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587691167 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587691168 JK Annotated Clean CCCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691193 JK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691194 JK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691196 JK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691197 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587691210 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587691215 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587691216 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587691217 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587691235 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587691238 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587691239 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587691240 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587691241 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587691242 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587691243 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587691244 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587691255 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587691258 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587691260 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587691261 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691309 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691310 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691311 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691312 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691317 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691318 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691319 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691320 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587691321 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587691322 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587691323 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587691324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691325 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691326 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691327 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691328 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691337 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691338 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691339 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587691340 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587691345 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587691346 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587691347 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587691348 JK Annotated Anodyne C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691353 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 ZINC000587691354 JK Annotated Bother C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691355 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 ZINC000587691356 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587691413 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587691418 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587691419 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587691420 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587691421 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587691422 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587691423 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587691424 JK Annotated Anodyne C=CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691425 JK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691430 JK Annotated Mild C=CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691432 JK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587691433 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691447 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691449 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691451 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691453 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587691459 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587691462 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587691464 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587691466 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587691474 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587691475 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587691476 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587691477 JK Annotated Bother CCN1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2)CC1 ZINC000587691509 JK Annotated Clean CCN1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2)CC1 ZINC000587691510 JK Annotated Clean CCN1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2)CC1 ZINC000587691511 JK Annotated Clean CCN1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2)CC1 ZINC000587691512 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587691525 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587691526 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587691527 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587691528 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587691557 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587691558 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587691559 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587691560 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691561 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691562 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691563 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691564 JK Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl ZINC000587691573 JK Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl ZINC000587691574 JK Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl ZINC000587691575 JK Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl ZINC000587691576 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587691609 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587691610 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587691611 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587691612 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587691617 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587691618 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587691619 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587691620 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587691657 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587691658 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587691659 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587691660 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691669 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691670 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691671 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691672 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587691681 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587691682 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587691683 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587691684 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587691709 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587691710 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587691711 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587691712 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691721 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691722 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691723 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691724 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691733 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691734 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691735 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691736 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587691741 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587691742 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587691743 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587691744 JK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691757 JK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691758 JK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691759 JK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691760 JK Annotated Mild CCCCC[C@@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691769 JK Annotated Clean CCCCC[C@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691770 JK Annotated Clean CCCCC[C@@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691771 JK Annotated Clean CCCCC[C@]1(c2c(O)cc(OC)c(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691772 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691777 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691778 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691779 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(OCc3ccccc3)cc2Cl)N1 ZINC000587691780 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587691795 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587691796 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587691797 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587691798 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691811 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691812 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691813 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691814 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691845 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691847 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691849 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691851 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691854 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691856 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691859 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691862 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691863 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691864 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691865 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1Cl ZINC000587691877 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691878 JK Annotated Bother Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1Cl ZINC000587691879 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691880 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691881 JK Annotated Bother Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1Cl ZINC000587691882 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587691883 JK Annotated Bother Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1Cl ZINC000587691884 JK Annotated Clean Cc1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1Cl ZINC000587691890 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1Cl ZINC000587691896 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1Cl ZINC000587691897 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1Cl ZINC000587691899 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691901 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691903 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691905 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691907 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691917 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691919 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691920 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691921 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691926 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691927 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691928 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N1 ZINC000587691930 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1Cl ZINC000587691932 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1Cl ZINC000587691934 JK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1Cl ZINC000587691936 JK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1Cl ZINC000587691937 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691938 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691939 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691940 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587691941 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691946 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691947 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691948 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587691950 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587691974 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587691977 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587691979 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587691980 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587691990 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587691993 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587691994 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587691995 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587691996 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587692007 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587692008 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587692011 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1Cl ZINC000587692016 JK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1Cl ZINC000587692018 JK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1Cl ZINC000587692021 JK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1Cl ZINC000587692025 JK Annotated Clean COc1ccc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692026 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692029 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692031 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692032 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587692044 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692052 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692053 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692054 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692055 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587692057 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587692058 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587692060 JK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692084 JK Annotated Clean Cc1cc(O)c([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692085 JK Annotated Clean Cc1cc(O)c([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692087 JK Annotated Clean Cc1cc(O)c([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692089 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587692092 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587692100 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587692102 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587692104 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587692169 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587692170 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587692171 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587692172 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587692193 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587692194 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587692195 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587692196 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692207 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692211 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692212 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692213 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692222 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692223 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692224 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1 ZINC000587692226 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587692258 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587692260 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587692262 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1 ZINC000587692264 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1 ZINC000587692300 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692302 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692304 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692307 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1 ZINC000587692308 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692310 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1 ZINC000587692311 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1 ZINC000587692313 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587692346 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587692350 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587692352 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(Cl)ccc1-c1ccc(Cl)cc12 ZINC000587692353 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587692354 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(Cl)ccc1-c1ccc(Cl)cc12 ZINC000587692376 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692384 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692387 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692391 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692394 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587692409 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587692414 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587692417 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587692421 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587692423 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587692425 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587692426 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587692429 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692438 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692442 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692446 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692451 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587692452 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587692455 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587692457 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000587692460 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692503 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587692505 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587692506 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587692508 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587692510 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587692511 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 ZINC000587692513 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587692514 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587692517 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692521 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692523 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692526 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692530 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587692533 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692537 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587692539 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692540 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587692541 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692542 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587692543 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587692562 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587692568 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587692571 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587692573 JK Annotated Bother CNc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692582 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692583 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692584 JK Annotated Anodyne CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692585 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587692633 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587692634 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587692635 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587692636 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692647 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692648 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692649 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692650 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587692687 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587692688 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587692689 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587692690 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692691 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692692 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692693 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587692694 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587692721 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587692723 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587692725 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587692727 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587692748 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587692750 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587692751 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587692752 JK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692753 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587692754 JK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692755 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl)C(=O)O ZINC000587692756 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587692758 JK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692759 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl)C(=O)O ZINC000587692761 JK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587692762 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587692785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587692793 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587692796 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587692799 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1 ZINC000587692816 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1 ZINC000587692819 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)cc1 ZINC000587692820 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)cc1 ZINC000587692822 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1 ZINC000587692823 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)cc1 ZINC000587692825 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587692826 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1 ZINC000587692827 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)cc1 ZINC000587692828 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587692830 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587692833 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587692835 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692842 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692843 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692847 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692850 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587692856 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587692859 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587692861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587692864 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692866 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587692868 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692869 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692871 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587692872 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692874 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587692875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587692878 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587692914 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587692916 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587692918 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587692921 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692924 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692926 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692927 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000587692929 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587692937 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587692938 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587692940 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587692942 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692957 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692961 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692963 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692964 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587692965 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587692966 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587692967 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587692968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587692977 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587692981 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587692983 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587692984 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587693153 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587693154 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587693155 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587693156 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693157 JK Annotated Clean Cc1cc(O)c([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693158 JK Annotated Clean Cc1cc(O)c([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693159 JK Annotated Clean Cc1cc(O)c([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693160 JK Annotated Clean Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693169 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693170 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693172 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693173 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587693183 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587693193 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587693194 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587693195 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587693196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587693198 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587693199 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587693200 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000587693224 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000587693226 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693229 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(Cl)c(C(=O)O)c3)c2)N1 ZINC000587693234 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(Cl)c(C(=O)O)c3)c2)N1 ZINC000587693235 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587693236 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(Cl)c(C(=O)O)c3)c2)N1 ZINC000587693237 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587693238 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(Cl)c(C(=O)O)c3)c2)N1 ZINC000587693239 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587693241 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587693244 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693252 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693255 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693257 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693258 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693264 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693268 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693270 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693302 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693305 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693308 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693310 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693321 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587693331 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693333 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587693334 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587693337 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693338 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000587693340 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587693344 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587693347 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587693350 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587693353 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587693363 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693365 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693366 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693368 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693370 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587693371 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587693373 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587693375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587693409 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587693410 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587693411 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587693413 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693421 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693424 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cl ZINC000587693426 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cl ZINC000587693427 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cl ZINC000587693429 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cl ZINC000587693431 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587693443 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587693445 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587693446 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587693448 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587693457 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587693460 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587693462 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 ZINC000587693466 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587693468 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587693478 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587693481 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587693483 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1-c1ccccc1Cl ZINC000587693522 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1-c1ccccc1Cl ZINC000587693523 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1-c1ccccc1Cl ZINC000587693525 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1-c1ccccc1Cl ZINC000587693526 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587693528 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587693530 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587693531 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587693533 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587693558 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587693560 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587693562 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587693563 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587693586 JK Annotated Clean Cc1ccc(O)c([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587693587 JK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587693588 JK Annotated Clean Cc1ccc(O)c([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587693589 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587693594 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587693595 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587693597 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587693600 JK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587693653 JK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587693654 JK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587693655 JK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587693656 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587693661 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587693662 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587693663 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587693664 JK Annotated Mild CCOC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587693685 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587693686 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587693687 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587693688 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587693689 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587693690 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587693691 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2NC(=O)OC(C)(C)C)N1 ZINC000587693692 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587693693 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587693694 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587693695 JK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587693696 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(Cl)c(C(=O)O)c2)N1 ZINC000587693701 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(Cl)c(C(=O)O)c2)N1 ZINC000587693702 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(Cl)c(C(=O)O)c2)N1 ZINC000587693703 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(Cl)c(C(=O)O)c2)N1 ZINC000587693704 JK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693705 JK Annotated Clean Cc1cc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693706 JK Annotated Clean Cc1cc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693707 JK Annotated Clean Cc1cc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693708 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693709 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693710 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693711 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)N1 ZINC000587693713 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587693732 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587693736 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587693739 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587693743 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587693757 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693764 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693766 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587693771 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587693773 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587693776 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587693777 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693779 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587693780 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587693781 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693782 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587693785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693786 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693787 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693790 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693791 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693796 JK Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693800 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587693804 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587693808 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587693810 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587693811 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587693814 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(Cl)ccc2Cl)N1 ZINC000587693816 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587693818 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587693821 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587693827 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587693832 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587693836 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587693838 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587693876 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587693881 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587693883 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587693884 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587693885 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587693886 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587693888 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587693889 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693906 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693910 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587693911 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693913 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 ZINC000587693915 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693917 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587693920 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587693923 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587693925 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693929 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693933 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693936 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587693940 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587693946 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587693952 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587693956 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587693960 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587693963 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587693967 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587693971 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587694002 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587694025 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587694028 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587694030 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587694032 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587694033 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587694035 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587694036 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587694094 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587694098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587694100 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587694101 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587694161 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587694162 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587694163 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3cccc(Cl)c3C#N)cc2)N1 ZINC000587694164 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587694181 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587694182 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587694183 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)N1 ZINC000587694184 JK Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl ZINC000587694197 JK Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl ZINC000587694198 JK Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl ZINC000587694199 JK Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl ZINC000587694200 JK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587694225 JK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587694226 JK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587694227 JK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587694228 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587694251 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587694252 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587694253 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587694254 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694259 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694260 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694261 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694262 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587694271 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587694272 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587694273 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(c2ccccc2Cl)N1 ZINC000587694274 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587694277 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587694278 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694279 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694280 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694281 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3Cl)o2)N1 ZINC000587694282 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587694304 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587694306 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587694307 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(Cl)cc2Cl)N1 ZINC000587694309 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587694320 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587694324 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587694326 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587694327 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587694330 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587694333 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587694337 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587694339 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587694342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587694345 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587694357 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587694360 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587694364 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587694365 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587694367 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587694368 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587694371 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587694374 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587694406 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587694408 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587694411 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587694413 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694431 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694435 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694438 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694442 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694483 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694489 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694492 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694494 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587694513 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587694517 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587694519 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587694522 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587694523 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587694529 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587694532 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587694535 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587694597 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587694599 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587694601 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587694603 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587694626 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587694627 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587694629 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587694631 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587694632 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587694634 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587694637 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000587694639 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587694642 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587694644 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587694657 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587694658 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587694659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587694660 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587694677 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587694678 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587694679 JK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587694680 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587694721 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587694722 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587694723 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)N1 ZINC000587694724 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694725 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694726 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694727 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694728 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587694737 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587694738 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587694739 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587694740 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)N1 ZINC000587694741 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)N1 ZINC000587694742 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)N1 ZINC000587694743 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)N1 ZINC000587694744 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694745 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587694746 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694747 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694748 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587694749 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587694750 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694751 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587694752 JK Annotated Clean COc1ccc([C@@]2(c3cccc(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694754 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694756 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694759 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694761 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587694787 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694788 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587694789 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587694790 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694791 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587694792 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694796 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)N1 ZINC000587694798 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587694799 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587694800 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587694802 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587694804 JK Annotated Mild COC(=O)/C(=C\c1ccccc1Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694821 JK Annotated Anodyne COC(=O)/C(=C\c1ccccc1Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694823 JK Annotated Anodyne COC(=O)/C(=C/c1ccccc1Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694824 JK Annotated Anodyne COC(=O)/C(=C/c1ccccc1Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694825 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587694837 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587694839 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587694841 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587694844 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694865 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694870 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694879 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587694885 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587694892 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587694897 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694906 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694910 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694916 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694922 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587694925 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587694928 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587694931 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587694935 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694957 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694960 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587694961 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694963 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587694966 JK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587694968 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587694970 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587694973 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587694976 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694992 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587694995 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694997 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694999 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587695000 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695003 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587695005 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695010 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587695017 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587695020 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587695023 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695025 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587695026 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587695027 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695029 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587695030 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695031 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695033 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695034 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587695035 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695037 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000587695040 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695041 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587695044 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587695048 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587695052 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587695055 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587695059 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587695063 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587695066 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587695069 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587695081 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587695084 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587695097 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587695100 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587695103 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000587695105 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587695109 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587695112 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587695114 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587695117 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Cl)cc1Cl ZINC000587695118 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Cl)cc1Cl ZINC000587695120 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Cl)cc1Cl ZINC000587695122 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(Cl)cc1Cl ZINC000587695125 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695127 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695130 JK Annotated Anodyne CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695133 JK Annotated Anodyne CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695135 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587695185 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587695187 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587695188 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587695189 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587695214 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587695216 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587695219 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587695221 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587695265 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587695266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587695267 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)ccc2Cl)N1 ZINC000587695268 JK Annotated Anodyne C=CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695293 JK Annotated Mild C=CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695294 JK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695295 JK Annotated Mild C=CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695296 JK Annotated Mild CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587695329 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587695330 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587695331 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587695332 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587695337 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587695338 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587695339 JK Annotated Anodyne Cc1c(Cl)cccc1OCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587695340 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587695345 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587695346 JK Annotated Clean CCOC(=O)C[C@]1(Cc2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695347 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695348 JK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695349 JK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695350 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Cl)c1C ZINC000587695363 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Cl)c1C ZINC000587695364 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Cl)c1C ZINC000587695365 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Cl)c1C ZINC000587695366 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695380 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695382 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695385 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695388 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587695426 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587695431 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587695434 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1Cl ZINC000587695436 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695445 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695448 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695450 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695452 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695467 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695469 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695471 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695473 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587695475 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587695477 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587695479 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587695481 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587695483 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587695485 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587695487 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587695489 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587695493 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587695495 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587695498 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587695500 JK Annotated Clean Cc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587695519 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587695520 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587695523 JK Annotated Bother Cc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587695524 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)N1 ZINC000587695526 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587695527 JK Annotated Bother Cc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587695528 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587695530 JK Annotated Bother Cc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587695531 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695533 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695538 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695541 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587695543 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587695546 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587695549 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)N1 ZINC000587695550 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)N1 ZINC000587695552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587695591 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587695593 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587695595 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587695597 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695599 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695601 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587695602 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695603 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695604 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587695605 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587695606 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695607 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587695608 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695610 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587695611 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695612 JK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587695614 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)N1 ZINC000587695620 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)N1 ZINC000587695622 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)N1 ZINC000587695625 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587695626 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)N1 ZINC000587695628 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587695629 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587695632 JK Annotated Mild COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587695653 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587695655 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587695657 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587695659 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695689 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695697 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695702 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695705 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587695717 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587695728 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587695731 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587695735 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587695737 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587695739 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587695740 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587695741 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695746 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695747 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695748 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695749 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587695754 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587695755 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587695756 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587695757 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587695758 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587695759 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587695760 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(Cl)cc2)N1 ZINC000587695761 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587695778 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587695782 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587695783 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587695785 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)N1 ZINC000587695786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587695837 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587695840 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587695845 JK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695885 JK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695887 JK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695888 JK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587695889 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587695911 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587695913 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587695914 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587695916 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587695933 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587695934 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587695935 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1Cl ZINC000587695936 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587695937 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587695938 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587695939 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(N)c2)(c2ccccc2C(=O)O)N1 ZINC000587695940 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695947 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695948 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695949 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c(Cl)c2)N1 ZINC000587695950 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587695961 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587695963 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587695965 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587695967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695970 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695972 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695974 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587695976 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695977 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695979 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695981 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695983 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696011 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696013 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696015 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696018 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587696023 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587696035 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587696037 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587696039 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587696042 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587696044 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587696046 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2Cl)N1 ZINC000587696048 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696050 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587696054 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587696055 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696056 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587696057 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696058 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587696059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696061 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696062 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696063 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696064 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587696065 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696072 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696074 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696075 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696077 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587696131 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587696132 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1Cl ZINC000587696141 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1Cl ZINC000587696142 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1Cl ZINC000587696143 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1Cl ZINC000587696144 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587696145 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587696146 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587696147 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587696148 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587696177 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587696178 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587696179 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587696180 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587696199 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587696200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587696201 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587696202 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587696203 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587696204 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc(C)c1Cl ZINC000587696312 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc(C)c1Cl ZINC000587696319 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc(C)c1Cl ZINC000587696322 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc(C)c1Cl ZINC000587696325 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696326 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696331 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696332 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696334 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696343 JK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696346 JK Annotated Bother Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696349 JK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696351 JK Annotated Bother COc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587696359 JK Annotated Bother COc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587696361 JK Annotated Bother COc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587696363 JK Annotated Bother COc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587696366 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696397 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696404 JK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696406 JK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696408 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696409 JK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696411 JK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696412 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696414 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696439 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696441 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696444 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696447 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587696450 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696452 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696454 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696456 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587696457 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696458 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587696459 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587696462 JK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587696466 JK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587696468 JK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587696470 JK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587696471 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587696474 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587696481 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587696483 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587696486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587696488 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587696490 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587696492 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)N1 ZINC000587696494 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696496 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696497 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696499 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 ZINC000587696501 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587696532 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587696534 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587696536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587696537 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587696539 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587696541 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587696543 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000587696545 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587696547 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587696550 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587696552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587696554 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587696556 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587696558 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587696560 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587696562 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587696572 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587696581 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587696582 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587696584 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587696592 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587696593 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587696594 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)Cc2ccccc2Cl)N1 ZINC000587696595 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587696611 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587696612 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587696613 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587696614 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587696615 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587696616 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587696618 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587696620 JK Annotated Bother COC(=O)/C(=C/c1cccc(Cl)c1Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696625 JK Annotated Anodyne COC(=O)/C(=C\c1cccc(Cl)c1Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696629 JK Annotated Anodyne COC(=O)/C(=C\c1cccc(Cl)c1Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696630 JK Annotated Anodyne COC(=O)/C(=C/c1cccc(Cl)c1Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696631 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000587696632 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000587696633 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587696640 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587696642 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696643 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587696644 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587696645 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696646 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696648 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696650 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587696652 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587696654 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587696656 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587696658 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696668 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696670 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696671 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696672 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696673 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696674 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696675 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696677 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696691 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696693 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696695 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)N1 ZINC000587696697 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696713 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696714 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696715 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696716 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696721 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696722 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696723 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696724 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587696725 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587696726 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587696727 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587696728 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587696745 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587696746 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587696747 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587696748 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696757 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696758 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696759 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696760 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696771 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696772 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696773 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696774 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696775 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696776 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696777 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696778 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696786 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696787 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696788 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696793 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696794 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696795 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696796 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587696854 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587696857 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587696859 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587696861 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587696879 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587696881 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587696884 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587696886 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587696903 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587696905 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587696906 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000587696907 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587696941 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587696943 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587696945 JK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587696947 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587696997 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587696999 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587697001 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587697003 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587697033 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587697034 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587697035 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587697036 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587697049 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587697050 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587697051 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587697052 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697053 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697054 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697055 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697056 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587697077 JK Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587697078 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)N1 ZINC000587697083 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)N1 ZINC000587697084 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587697085 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587697086 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587697087 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587697088 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587697093 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587697094 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587697095 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587697096 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587697142 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587697143 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587697144 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587697145 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697155 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697157 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697159 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697161 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587697178 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587697181 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587697184 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587697187 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1Cl ZINC000587697189 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1Cl ZINC000587697194 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1Cl ZINC000587697196 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1Cl ZINC000587697198 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697204 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697206 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697207 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697208 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697209 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587697210 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587697211 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587697212 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697213 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587697214 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697215 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697217 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587697222 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587697223 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587697224 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000587697226 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587697259 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587697261 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587697263 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587697265 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587697274 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587697276 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587697278 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 ZINC000587697280 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587697282 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587697284 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587697286 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1 ZINC000587697288 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587697289 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587697292 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587697294 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc(O)c(Cl)c2)N1 ZINC000587697296 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cl ZINC000587697297 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cl ZINC000587697298 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cl ZINC000587697299 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cl ZINC000587697300 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697308 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697310 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587697311 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697312 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587697313 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587697314 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587697315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(c2ccccc2Cl)N1 ZINC000587697317 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587697333 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587697334 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587697335 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587697336 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587697337 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587697338 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587697339 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 ZINC000587697340 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587697345 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587697346 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587697347 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2cccc(Cl)c2)N1 ZINC000587697348 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587697357 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587697358 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587697359 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587697360 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587697361 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587697362 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587697363 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587697364 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587697377 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587697380 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587697384 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N1 ZINC000587697387 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587697388 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587697392 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587697396 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587697399 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587697402 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587697406 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697409 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697412 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697414 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697417 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587697431 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587697434 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587697437 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587697440 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697541 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697544 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697547 JK Annotated Anodyne CCCCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697550 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587697607 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587697608 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587697611 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2NC(=O)OC(C)(C)C)N1 ZINC000587697613 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587697645 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587697646 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587697647 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587697648 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587697657 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587697660 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587697661 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587697662 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587697663 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697664 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587697665 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587697666 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697667 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1Cl ZINC000587697669 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697670 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697672 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697673 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697675 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587697676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697678 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587697680 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C=O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697681 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587697683 JK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587697686 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587697711 JK Annotated Clean Cc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587697712 JK Annotated Clean Cc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587697714 JK Annotated Clean Cc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587697718 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697724 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697726 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697728 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697730 JK Annotated Bother CCOc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697753 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697757 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697760 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697763 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587697798 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587697799 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587697801 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587697802 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587697804 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587697805 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587697807 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587697811 JK Annotated Clean CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697813 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587697814 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697816 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697818 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587697819 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697821 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587697823 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587697828 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587697832 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587697836 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587697840 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587697843 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1Cl ZINC000587697854 JK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697855 JK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1Cl ZINC000587697857 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697858 JK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1Cl ZINC000587697860 JK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697861 JK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1Cl ZINC000587697863 JK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697864 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587697872 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587697876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587697881 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587697886 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697888 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697892 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697895 JK Annotated Bother COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697897 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587697899 JK Annotated Bother COc1ccc(Cl)cc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697900 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697903 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697905 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697914 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697916 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697918 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587697920 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1 ZINC000587697932 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1 ZINC000587697933 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1 ZINC000587697934 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1 ZINC000587697935 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697943 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697944 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587697945 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl)C(=O)O ZINC000587697946 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587697947 JK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl)C(=O)O ZINC000587697948 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)N1 ZINC000587697979 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)N1 ZINC000587697981 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)N1 ZINC000587697983 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)N1 ZINC000587697985 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697986 JK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697987 JK Annotated Bother Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697988 JK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697989 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc(C)c1Cl ZINC000587697991 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc(C)c1Cl ZINC000587697993 JK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc(C)c1Cl ZINC000587697996 JK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc(C)c1Cl ZINC000587697998 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587698000 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587698003 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587698006 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 ZINC000587698009 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587698020 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587698021 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587698023 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587698025 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587698026 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587698027 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3cccc(Cl)c3)cn2C)N1 ZINC000587698029 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)N1 ZINC000587698030 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587698056 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587698057 JK Annotated Clean COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587698059 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587698060 JK Annotated Clean COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587698062 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587698063 JK Annotated Clean COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587698065 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587698066 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587698095 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587698098 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587698100 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587698103 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587698160 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587698162 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587698164 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 ZINC000587698166 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Cl)c1 ZINC000587698197 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Cl)c1 ZINC000587698199 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Cl)c1 ZINC000587698200 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Cl)c1 ZINC000587698201 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698210 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698211 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698212 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698214 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698242 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698245 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698247 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698250 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587698265 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587698266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587698267 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698268 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Cl)cc12 ZINC000587698269 JK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698270 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1Cl ZINC000587698278 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587698281 JK Annotated Bother Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1Cl ZINC000587698283 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587698284 JK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1Cl ZINC000587698286 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587698288 JK Annotated Bother Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1Cl ZINC000587698289 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 ZINC000587698291 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587698292 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587698293 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587698295 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587698296 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587698298 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587698299 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 ZINC000587698300 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587698302 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587698313 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587698315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587698317 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)N1 ZINC000587698319 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587698348 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587698351 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587698352 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587698353 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587698354 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(Cl)c(Cl)c3)C2)N1 ZINC000587698356 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587698357 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587698360 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698363 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698365 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698368 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698371 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587698380 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587698381 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587698382 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587698383 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587698384 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587698385 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(Cl)cc3Cl)nn2)N1 ZINC000587698386 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3Cl)c3ccccc23)N1 ZINC000587698387 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698388 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698390 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698392 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698394 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587698404 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587698406 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587698407 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587698410 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698412 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698414 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698416 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 ZINC000587698419 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587698431 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587698434 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587698437 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cccc3ccccc23)N1 ZINC000587698441 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587698461 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587698463 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587698466 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587698468 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587698486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587698489 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587698493 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698494 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)c(Cl)cc3c2OCCO3)N1 ZINC000587698496 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698497 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698499 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698501 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)N1 ZINC000587698510 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)N1 ZINC000587698514 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)N1 ZINC000587698517 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)N1 ZINC000587698520 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(Cl)c1 ZINC000587698540 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(Cl)c1 ZINC000587698542 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(Cl)c1 ZINC000587698543 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(Cl)c1 ZINC000587698544 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587698557 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587698559 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587698560 JK Annotated Anodyne CC[C@H](C)Oc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587698562 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587698607 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587698609 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587698611 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)N1 ZINC000587698613 JK Annotated Anodyne C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698682 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 ZINC000587698685 JK Annotated Bother C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698688 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 ZINC000587698691 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587698710 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587698713 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587698716 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698718 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587698719 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698721 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698723 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698726 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587698732 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587698735 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698737 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587698738 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698739 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587698741 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698742 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698745 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587698761 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587698763 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587698764 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587698766 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587698810 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1 ZINC000587698816 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1 ZINC000587698817 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1 ZINC000587698818 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1 ZINC000587698819 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587698825 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587698827 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587698830 JK Annotated Anodyne COC(=O)/C(=C/c1cccc(Cl)c1Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698843 JK Annotated Anodyne COC(=O)/C(=C\c1cccc(Cl)c1Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698845 JK Annotated Anodyne COC(=O)/C(=C/c1cccc(Cl)c1Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698847 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587698848 JK Annotated Clean COC(=O)/C(=C\c1cccc(Cl)c1Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698850 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587698854 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587698860 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587698866 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587698876 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587698878 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587698881 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587698882 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698884 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Cl)c1C ZINC000587698885 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698886 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Cl)c1C ZINC000587698887 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698888 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Cl)c1C ZINC000587698889 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698890 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Cl)c1C ZINC000587698891 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587698894 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587698897 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587698900 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587698903 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(Cl)c1 ZINC000587698916 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(Cl)c1 ZINC000587698920 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(Cl)c1 ZINC000587698924 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(Cl)c1 ZINC000587698927 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587698958 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587698964 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587698966 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587698969 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587698977 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587698982 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587698985 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Cl)cc12 ZINC000587698989 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698994 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698996 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587698999 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587699002 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587699004 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587699007 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587699010 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1 ZINC000587699013 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587699022 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587699024 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587699028 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587699031 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587699034 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587699037 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587699039 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587699040 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587699042 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587699043 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2ccccc2Cl)N1 ZINC000587699045 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(Cl)c3Cl)o2)N1 ZINC000587699046 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587699068 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587699071 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587699072 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587699074 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587699075 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3ccccc3Cl)c2)N1 ZINC000587699076 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587699077 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccc(Cl)cc3Cl)cn2C)N1 ZINC000587699080 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699083 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699086 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699089 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587699090 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587699091 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699092 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587699093 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587699094 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587699095 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587699096 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1 ZINC000587699097 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)N1 ZINC000587699098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587699121 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587699123 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587699125 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2Cl)(c2ccc(O)cc2)N1 ZINC000587699127 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587699242 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587699244 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587699245 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587699246 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587699247 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCn3ccnc3)c(Cl)c2)N1 ZINC000587699248 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587699249 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587699251 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699270 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699271 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587699272 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699274 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587699277 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699278 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587699281 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Cl)cc1Cl ZINC000587699284 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587699285 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Cl)cc1Cl ZINC000587699288 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Cl)cc1Cl ZINC000587699292 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(Cl)cc1Cl ZINC000587699296 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699317 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699321 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699325 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699328 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699332 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699337 JK Annotated Anodyne COc1cccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699341 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587699345 JK Annotated Anodyne COc1cccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699346 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587699349 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699350 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587699353 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699355 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587699357 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699359 JK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699363 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587699377 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587699381 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587699385 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000587699388 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587699408 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587699420 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587699422 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587699426 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587699432 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587699436 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587699443 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587699446 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587699449 JK Annotated Bother COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587699451 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000587699453 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587699455 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587699458 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587699459 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Cl)cc3)nc12 ZINC000587699461 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587699462 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(Cl)c2Cl)N1 ZINC000587699465 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587699467 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Cl)cc3)nc12 ZINC000587699468 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587699470 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Cl)cc3)nc12 ZINC000587699471 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587699473 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Cl)cc3)nc12 ZINC000587699475 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587699478 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699495 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699499 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587699501 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699502 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587699505 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699506 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587699509 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587699510 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)Cc2cccc(Cl)c2)N1 ZINC000587699512 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587699513 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699516 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587699517 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699520 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587699521 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699523 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699526 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699527 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699528 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699529 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587699531 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699532 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699533 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587699535 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699536 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699537 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587699538 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699539 JK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587699540 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587699541 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587699542 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699543 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587699545 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699548 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587699549 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(N)=O)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587699553 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587699557 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587699561 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587699567 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699569 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587699572 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699575 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(Cl)ccc1-c1ccc(Cl)cc12 ZINC000587699579 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699580 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699584 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(Cl)ccc1-c1ccc(Cl)cc12 ZINC000587699586 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587699590 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587699592 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587699597 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587699601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587699625 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587699629 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587699633 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(N)c(Cl)cc12 ZINC000587699635 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587699638 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587699642 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587699644 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587699645 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699861 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699862 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699863 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699864 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587699881 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587699882 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587699883 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(Cl)cc2Cl)N1 ZINC000587699884 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587699908 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587699910 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587699912 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(O)c2)(c2cc(Cl)ccc2N)N1 ZINC000587699914 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587699915 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587699917 JK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587699919 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587699921 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587699939 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587699940 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587699941 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587699942 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587699943 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587699944 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)ccc3C(=O)O)cc2)N1 ZINC000587699945 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587699946 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)N1 ZINC000587699947 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699948 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)N1 ZINC000587699949 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699950 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)N1 ZINC000587699951 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699952 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)N1 ZINC000587699953 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699954 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699955 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699957 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699959 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699961 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699970 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699972 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587699973 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699974 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699975 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587699976 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587699978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587699979 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587699980 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587699981 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587699982 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587699983 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1Cl ZINC000587699985 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1Cl ZINC000587699987 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1Cl ZINC000587699989 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1Cl ZINC000587699991 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1Cl ZINC000587699994 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1Cl ZINC000587699996 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1Cl ZINC000587699998 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1Cl ZINC000587700001 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587700016 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587700019 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587700020 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587700021 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587700022 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587700024 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587700025 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000587700028 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587700035 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587700036 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587700038 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587700039 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587700040 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587700042 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3cc(Cl)ccc3oc2=O)N1 ZINC000587700043 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587700045 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587700046 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587700049 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587700052 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700054 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587700056 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700057 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587700060 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700061 JK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700063 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587700064 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587700066 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587700069 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700072 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700074 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700077 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700080 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700087 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700089 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700093 JK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700095 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587700110 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587700114 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587700117 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccccc2Cl)N1 ZINC000587700119 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1 ZINC000587700162 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1 ZINC000587700164 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587700165 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1 ZINC000587700166 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587700167 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1 ZINC000587700168 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587700169 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700170 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587700171 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700172 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700174 JK Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700176 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700181 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700183 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700185 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700187 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700213 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700214 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700215 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700216 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587700217 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587700218 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587700219 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000587700220 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)N1 ZINC000587700229 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)N1 ZINC000587700230 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1 ZINC000587700231 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1 ZINC000587700232 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1 ZINC000587700233 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1 ZINC000587700234 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587700239 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587700240 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587700268 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587700273 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587700274 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587700275 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700276 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700283 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700284 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700285 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587700286 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587700287 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587700288 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587700289 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587700322 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587700326 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587700328 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587700329 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587700408 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587700415 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587700418 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587700421 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700455 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700463 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700465 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700467 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587700523 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587700525 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587700526 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587700527 JK Annotated Anodyne CCN1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2)CC1 ZINC000587700545 JK Annotated Clean CCN1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2)CC1 ZINC000587700546 JK Annotated Clean CCN1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2)CC1 ZINC000587700547 JK Annotated Clean CCN1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2)CC1 ZINC000587700548 JK Annotated Clean COCOc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700577 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700580 JK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700582 JK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700584 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700586 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700589 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700591 JK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700593 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700603 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587700604 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700605 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587700606 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587700607 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700608 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700609 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000587700623 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587700633 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587700636 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587700638 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587700645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587700663 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587700665 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587700667 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587700669 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587700670 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587700672 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700673 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587700674 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700675 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)N1 ZINC000587700676 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700677 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587700678 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700679 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587700680 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587700682 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1 ZINC000587700684 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587700689 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587700691 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587700693 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2O)(c2ccccc2Cl)N1 ZINC000587700696 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587700711 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587700712 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587700713 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2Cl)(c2ccccc2)N1 ZINC000587700714 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700715 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700716 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700717 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700718 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587700731 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587700732 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587700733 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)N1 ZINC000587700734 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700745 JK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700747 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700750 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700752 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587700769 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587700771 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587700773 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)N1 ZINC000587700775 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587700778 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587700780 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587700782 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587700784 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700786 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700787 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700788 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700790 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587700794 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587700797 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587700798 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587700800 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587700803 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587700806 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700807 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587700808 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700809 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(Cl)cc1CCc1cccnc12 ZINC000587700810 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700811 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700813 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587700826 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587700828 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587700830 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587700832 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587700840 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587700843 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587700845 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587700848 JK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700851 JK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700853 JK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700855 JK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700857 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700858 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700860 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700861 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700862 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700863 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)N1 ZINC000587700864 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700865 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700866 JK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587700881 JK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587700882 JK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587700885 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587700886 JK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587700887 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587700888 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587700889 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587700890 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587700891 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)N1 ZINC000587700892 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587700894 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)c2cc(Cl)ccc2n3C)N1 ZINC000587700896 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587700898 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587700900 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587700902 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587700904 JK Annotated Clean COCOc1cccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700908 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700911 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700912 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700914 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587700916 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587700918 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587700931 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587700932 JK Annotated Bother COc1c(Br)cccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700981 JK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700997 JK Annotated Anodyne COc1c(Br)cccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701000 JK Annotated Anodyne COc1c(Br)cccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701002 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587701074 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587701079 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587701081 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587701085 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701087 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701090 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701093 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701097 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587701106 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccc2Cl)N1 ZINC000587701111 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1-c1ccccc1Cl ZINC000587701114 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1-c1ccccc1Cl ZINC000587701118 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1-c1ccccc1Cl ZINC000587701123 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1-c1ccccc1Cl ZINC000587701130 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701179 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701183 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701185 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587701198 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587701203 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587701207 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2OCc2ccccc2Cl)N1 ZINC000587701210 JK Annotated Anodyne COC(=O)/C(=C\c1ccccc1Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701236 JK Annotated Anodyne COC(=O)/C(=C/c1ccccc1Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701238 JK Annotated Anodyne COC(=O)/C(=C/c1ccccc1Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701239 JK Annotated Anodyne COC(=O)/C(=C\c1ccccc1Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701240 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587701312 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587701313 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587701315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)N1 ZINC000587701318 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587701322 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587701325 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587701329 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587701332 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587701336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587701338 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587701341 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587701345 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587701367 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587701374 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587701377 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587701379 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587701381 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587701383 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587701385 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587701387 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701423 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701424 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701425 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701426 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587701432 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587701433 JK Annotated Bother COc1ccc(/C=C/[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701450 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701452 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701454 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701456 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587701472 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587701474 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587701476 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(OCc3ccccc3)c2)N1 ZINC000587701478 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587701490 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587701493 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587701495 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587701498 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701510 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701513 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701516 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701518 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701525 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701527 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701529 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701530 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701531 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701532 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701533 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701534 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701535 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)N1 ZINC000587701536 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701537 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701539 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701555 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701557 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701559 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701560 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701561 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701563 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701566 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701569 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587701571 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587701574 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587701576 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)N1 ZINC000587701579 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587701591 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587701593 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587701595 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587701597 JK Annotated Clean COc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701603 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701605 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701607 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701608 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701609 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587701610 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701611 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)N1 ZINC000587701613 JK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701716 JK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701721 JK Annotated Clean Cc1ccc(O)c([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701724 JK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587701729 JK Annotated Clean COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701734 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701741 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701745 JK Annotated Mild COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701747 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701749 JK Annotated Mild COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701750 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701752 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587701753 JK Annotated Mild Cc1ccccc1COc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701757 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587701758 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701759 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701763 JK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701765 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587701774 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587701778 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587701784 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701811 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701814 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701819 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701824 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587701831 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587701844 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587701849 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587701852 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587701854 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587701856 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587701858 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701860 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587701862 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701863 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701866 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701869 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587701872 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587701875 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587701878 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2cccnc2)N1 ZINC000587701880 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701882 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701884 JK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701886 JK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587701889 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)/C=C\c2ccccc2)(C(F)(F)F)N1 ZINC000587701932 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)/C=C/c2ccccc2)(C(F)(F)F)N1 ZINC000587701956 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)/C=C\c2ccccc2)(C(F)(F)F)N1 ZINC000587701960 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587701961 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587701965 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)/C=C/c2ccccc2)(C(F)(F)F)N1 ZINC000587701966 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587701968 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2OCCCO2)(c2ccccc2Cl)N1 ZINC000587701971 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587702025 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587702032 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587702033 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587702034 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587702053 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587702054 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587702056 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587702059 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587702062 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587702068 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587702070 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587702073 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702074 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702076 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702078 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702079 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702080 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702082 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702083 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702086 JK Annotated Anodyne COc1ccc(OC)c(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702087 JK Annotated Anodyne COc1ccc(OC)c(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702088 JK Annotated Anodyne COc1ccc(OC)c(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702089 JK Annotated Anodyne COc1ccc(OC)c(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702090 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702095 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702100 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702101 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702102 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702148 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702150 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587702186 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587702188 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587702190 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)N1 ZINC000587702192 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702215 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702217 JK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702219 JK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702221 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587702223 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587702226 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587702228 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587702230 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702239 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702240 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702242 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702244 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587702253 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587702255 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587702257 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587702259 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587702261 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587702262 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587702263 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587702264 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587702265 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587702266 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587702267 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587702268 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587702269 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587702270 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587702271 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Cl)cc3)nc12 ZINC000587702272 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587702273 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Cl)cc3)nc12 ZINC000587702274 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Cl)cc3)nc12 ZINC000587702277 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Cl)cc3)nc12 ZINC000587702279 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587702301 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587702302 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587702303 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587702304 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587702305 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587702306 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587702307 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587702308 JK Annotated Mild CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702317 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702318 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702319 JK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702320 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587702327 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587702328 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587702329 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)N1 ZINC000587702330 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587702358 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587702360 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587702361 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587702363 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587702365 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587702366 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587702368 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000587702370 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702372 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702375 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702378 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702380 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702381 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702383 JK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702385 JK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702387 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702393 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702398 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587702519 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587702522 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587702525 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)N1 ZINC000587702529 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587702556 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587702564 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587702568 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587702570 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587702577 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702585 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587702586 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](Cl)CCCCCCCCC[C@@H]2Cl ZINC000587702588 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587702590 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702592 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702596 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc3ccccc23)(C(F)(F)F)N1 ZINC000587702601 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587702606 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587702616 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587702618 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587702620 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587702621 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587702633 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587702635 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587702638 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587702674 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587702678 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587702681 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587702684 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587702702 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587702704 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587702706 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587702708 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587702731 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587702733 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587702735 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587702736 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702749 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702751 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702753 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702757 JK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587702773 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587702774 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587702777 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587702778 JK Annotated Mild CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702781 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702783 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702785 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702787 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702820 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702821 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702822 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702823 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587702852 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587702855 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587702856 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)N1 ZINC000587702857 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587702866 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587702868 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587702870 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587702873 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587702904 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587702905 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587702906 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587702908 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587702923 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587702924 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587702925 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(Cl)cc(Cl)c2)N1 ZINC000587702926 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702927 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702928 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702930 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587702932 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Cl)c1 ZINC000587702935 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Cl)c1 ZINC000587702936 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Cl)c1 ZINC000587702937 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Cl)c1 ZINC000587702938 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587702965 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587702966 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587702967 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587702968 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702969 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702970 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702971 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702972 JK Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587702981 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587702982 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587702983 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587702984 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702985 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702986 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702987 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702988 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702993 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702994 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702995 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)N1 ZINC000587702996 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703001 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703002 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703003 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703004 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587703052 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587703054 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587703056 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587703059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587703118 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587703122 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587703126 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587703128 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587703163 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587703166 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587703167 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587703172 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587703200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587703203 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587703205 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587703207 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587703210 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587703213 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587703214 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587703215 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587703247 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587703250 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587703254 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587703256 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)ccc12 ZINC000587703257 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587703262 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587703266 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587703267 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703268 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587703269 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587703270 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587703271 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587703274 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703288 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703292 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703297 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CC2 ZINC000587703299 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587703310 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587703314 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587703316 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CC2 ZINC000587703317 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587703319 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CC2 ZINC000587703321 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CC2 ZINC000587703327 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703328 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703336 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703339 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703350 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703354 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703360 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703363 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587703374 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587703380 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587703381 JK Annotated Bother CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587703383 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587703384 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587703385 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587703388 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587703389 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Cl)c2)(C(F)(F)F)N1 ZINC000587703390 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587703391 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587703394 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 ZINC000587703397 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587703399 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587703402 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587703405 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587703408 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587703413 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587703414 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587703415 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 ZINC000587703417 JK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703447 JK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703448 JK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703449 JK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703450 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703459 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703462 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703464 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587703466 JK Annotated Reactive COc1ccc(OC)c(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587703468 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587703471 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587703472 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587703473 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587703499 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587703502 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587703504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccc(Cl)c2)N1 ZINC000587703506 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587703549 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587703552 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587703554 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(Cl)c3)o2)N1 ZINC000587703555 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587703566 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587703567 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587703568 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(C)(C)N2CCOCC2)N1 ZINC000587703569 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587703571 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587703572 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587703573 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587703574 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703579 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703580 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703581 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703582 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Cl)c1 ZINC000587703583 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Cl)c1 ZINC000587703584 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Cl)c1 ZINC000587703585 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Cl)c1 ZINC000587703586 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587703591 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587703592 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587703593 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)N1 ZINC000587703594 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587703599 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587703600 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587703601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)N1 ZINC000587703602 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587703615 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587703616 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587703708 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587703710 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587703713 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)N1 ZINC000587703715 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587703716 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587703717 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587703718 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 ZINC000587703719 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587703733 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587703736 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587703739 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(N)cc12 ZINC000587703741 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587703743 JK Annotated Anodyne CCO/C=C(/Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703744 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587703745 JK Annotated Anodyne CCO/C=C(\Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703746 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587703747 JK Annotated Anodyne CCO/C=C(/Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703748 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccc(Cl)cc2)N1 ZINC000587703749 JK Annotated Anodyne CCO/C=C(\Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703750 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703767 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703770 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703773 JK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703775 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587703778 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587703780 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587703782 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587703784 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)cc1 ZINC000587703789 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)cc1 ZINC000587703790 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)cc1 ZINC000587703792 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)cc1 ZINC000587703794 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587703874 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587703875 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587703877 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587703880 JK Annotated Mild Cc1[nH]c2ccccc2c1/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703881 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703883 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703886 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703888 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587703925 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587703926 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587703927 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587703928 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587703933 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587703934 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587703935 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(OC(F)F)c2)(C(F)(F)F)N1 ZINC000587703936 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704014 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704015 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704024 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704025 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704026 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704027 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)N1 ZINC000587704028 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)N1 ZINC000587704029 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)N1 ZINC000587704031 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)N1 ZINC000587704033 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704038 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704039 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704040 JK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704041 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587704092 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587704093 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587704094 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)N1 ZINC000587704095 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587704104 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587704105 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587704106 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587704107 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587704191 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587704192 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587704193 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587704194 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587704203 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587704204 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587704205 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587704206 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587704215 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587704216 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587704217 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587704218 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704228 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704240 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704242 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704244 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587704279 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587704285 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587704286 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587704287 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587704288 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587704289 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587704290 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587704291 JK Annotated Anodyne CCN(CC)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587704308 JK Annotated Clean CCN(CC)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587704313 JK Annotated Clean CCN(CC)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587704315 JK Annotated Clean CCN(CC)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587704316 JK Annotated Clean Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587704321 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587704322 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587704323 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587704324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587704333 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587704334 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587704335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N1 ZINC000587704336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587704341 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587704342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587704343 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587704344 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587704372 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587704373 JK Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587704374 JK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587704375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704396 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704397 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704398 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704399 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587704441 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587704444 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587704447 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2cc(C=O)n(C)c2)N1 ZINC000587704449 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587704462 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587704463 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587704464 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587704465 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704474 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704475 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704476 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587704479 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587704536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587704537 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587704538 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587704539 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704618 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704619 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704620 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704621 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587704642 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](Cl)CCCCCCCCC[C@@H]2Cl ZINC000587704643 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587704644 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](Cl)CCCCCCCCC[C@H]2Cl ZINC000587704645 JK Annotated Reactive COc1ccc(OC)c(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587704678 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587704680 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587704682 JK Annotated Anodyne COc1ccc(OC)c(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587704683 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704713 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704714 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704715 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704716 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704721 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704722 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704723 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704724 JK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704745 JK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704746 JK Annotated Anodyne COc1c(Br)cccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704747 JK Annotated Anodyne COc1c(Br)cccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704748 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704761 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704762 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704763 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704764 JK Annotated Clean CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704781 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704782 JK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704783 JK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704784 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704785 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704787 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587704788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587704809 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587704810 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587704811 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587704812 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704817 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704818 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704819 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)N1 ZINC000587704820 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587704825 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587704826 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587704839 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587704840 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587704841 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000587704842 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)N1 ZINC000587704843 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)N1 ZINC000587704844 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587704961 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587704963 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587704965 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587704967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587704973 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587704975 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587704978 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587704981 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704984 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704987 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704989 JK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704991 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705000 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705003 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705006 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705008 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705033 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705035 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705037 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587705038 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587705067 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587705068 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587705069 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587705070 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587705109 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587705111 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587705114 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587705118 JK Annotated Anodyne COc1cc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2cc1OC ZINC000587705122 JK Annotated Anodyne COc1cc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2cc1OC ZINC000587705123 JK Annotated Anodyne COc1cc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2cc1OC ZINC000587705124 JK Annotated Anodyne COc1cc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2cc1OC ZINC000587705127 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587705165 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587705166 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587705167 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccccc2O)N1 ZINC000587705168 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705173 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705174 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705175 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705176 JK Annotated Bother COCOc1ccc([C@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705185 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705186 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705187 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705188 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587705193 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587705194 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587705195 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 ZINC000587705196 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1 ZINC000587705205 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1 ZINC000587705206 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1 ZINC000587705207 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1 ZINC000587705208 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705209 JK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705210 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705211 JK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705212 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Cl)c1 ZINC000587705221 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Cl)c1 ZINC000587705222 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Cl)c1 ZINC000587705223 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Cl)c1 ZINC000587705224 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587705237 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587705238 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587705239 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000587705240 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC[C@](F)(Cl)C(F)(F)Br)N1 ZINC000587705283 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC[C@](F)(Cl)C(F)(F)Br)N1 ZINC000587705284 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC[C@@](F)(Cl)C(F)(F)Br)N1 ZINC000587705285 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC[C@@](F)(Cl)C(F)(F)Br)N1 ZINC000587705286 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587705289 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587705290 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587705291 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)(F)Br)N1 ZINC000587705292 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587705341 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587705342 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587705344 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2F)(C(F)(F)F)N1 ZINC000587705346 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587705348 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587705350 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587705352 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587705354 JK Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705356 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587705358 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587705359 JK Annotated Mild CCOc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705360 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587705361 JK Annotated Mild CCOc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705362 JK Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705363 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587705364 JK Annotated Mild CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587705396 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587705397 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587705399 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587705401 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587705430 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587705431 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587705432 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587705435 JK Annotated Mild Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587705440 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587705443 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587705446 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587705448 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705456 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705462 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705466 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705468 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587705552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587705553 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587705554 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CCC(=O)c2ccc(Cl)cc2)N1 ZINC000587705555 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587705560 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587705561 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587705562 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(c2cccc(Cl)c2)N1 ZINC000587705563 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705572 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705573 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705574 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587705575 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587705596 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587705597 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587705598 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)N1 ZINC000587705599 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587705600 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587705601 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587705602 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccc(Cl)cc2)N1 ZINC000587705603 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587705620 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587705621 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587705622 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccc2C(=O)O)N1 ZINC000587705623 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587705628 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587705629 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587705632 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 ZINC000587705633 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587705642 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587705643 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587705644 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587705645 JK Annotated Clean Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc(Cl)c2=O)cc1 ZINC000587705695 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc(Cl)c2=O)cc1 ZINC000587705696 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc(Cl)c2=O)cc1 ZINC000587705697 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc(Cl)c2=O)cc1 ZINC000587705698 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587705715 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587705716 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587705717 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587705718 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705719 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705720 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705721 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705722 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705731 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705732 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705733 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705734 JK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705739 JK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705740 JK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705741 JK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705742 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587705753 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587705754 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587705755 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587705756 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587705765 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587705766 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587705767 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCCc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587705768 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705781 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705782 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705783 JK Annotated Anodyne CCOc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705784 JK Annotated Anodyne COc1ccc(OC)c(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705797 JK Annotated Anodyne COc1ccc(OC)c(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705798 JK Annotated Anodyne COc1ccc(OC)c(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705799 JK Annotated Anodyne COc1ccc(OC)c(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705800 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705814 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705816 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705818 JK Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705820 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705835 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705838 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587705839 JK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705840 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587705841 JK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705842 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587705843 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587705845 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587705906 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587705909 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587705911 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)N1 ZINC000587705913 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705915 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705917 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705918 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705919 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587706106 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587706107 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587706108 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587706109 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706110 JK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706111 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706112 JK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706113 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706131 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706134 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706135 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706136 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587706143 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587706144 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587706146 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cc3ccccc3o2)N1 ZINC000587706147 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587706154 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587706156 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587706157 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cc3ccccc3o2)(C(F)(F)F)N1 ZINC000587706158 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc(Cl)c2=O)cc1 ZINC000587706178 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc(Cl)c2=O)cc1 ZINC000587706182 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc(Cl)c2=O)cc1 ZINC000587706185 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc(Cl)c2=O)cc1 ZINC000587706189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587706196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587706197 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587706198 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587706200 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c(OC)c1OC ZINC000587706219 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c(OC)c1OC ZINC000587706225 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c(OC)c1OC ZINC000587706228 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c(OC)c1OC ZINC000587706231 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706240 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706242 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706243 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706244 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706246 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706247 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706249 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706250 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587706339 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587706340 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587706341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)N1 ZINC000587706342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587706343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587706346 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587706347 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587706348 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706377 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706379 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706381 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706384 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706385 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706386 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706387 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(NC(=O)C(C)(C)C)ccnc2Cl)N1 ZINC000587706388 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c(OC)c1OC ZINC000587706389 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c(OC)c1OC ZINC000587706390 JK Annotated Anodyne COc1cc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c(OC)c1OC ZINC000587706391 JK Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c(OC)c1OC ZINC000587706392 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587706418 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587706419 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587706420 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc3ccccc23)N1 ZINC000587706421 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587706441 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587706443 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587706445 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(C(F)(F)F)N1 ZINC000587706447 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587706448 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587706450 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587706452 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 ZINC000587706453 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706480 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706482 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706483 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706484 JK Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706537 JK Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706539 JK Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706541 JK Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706543 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587706551 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587706552 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587706553 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(Cl)c2)N1 ZINC000587706555 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587706607 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587706608 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587706609 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587706610 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587706611 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587706612 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587706613 JK Annotated Anodyne COc1ccc(OC)c2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587706614 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587706704 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587706712 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587706714 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587706717 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706721 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706723 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706725 JK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706728 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706729 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706732 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706734 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706736 JK Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706738 JK Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706740 JK Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706741 JK Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706742 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587706751 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587706752 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587706753 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587706754 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587706775 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587706776 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587706777 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2Br)(C(F)(F)F)N1 ZINC000587706779 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706781 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706784 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587706786 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706815 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706816 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706817 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587706818 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706819 JK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706820 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706821 JK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706822 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706832 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706834 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706835 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2N)(C(F)(F)F)N1 ZINC000587706836 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706876 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706877 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706878 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706879 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706888 JK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706889 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706890 JK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706891 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC[C@](F)(Cl)C(F)(F)Br)N1 ZINC000587706908 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC[C@](F)(Cl)C(F)(F)Br)N1 ZINC000587706909 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC[C@@](F)(Cl)C(F)(F)Br)N1 ZINC000587706910 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC[C@@](F)(Cl)C(F)(F)Br)N1 ZINC000587706911 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587706932 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587706933 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587706934 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587706935 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587706936 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587706937 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587706938 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2NC(=O)OC(C)(C)C)N1 ZINC000587706939 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587706944 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587706945 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587706946 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587706947 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706980 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706981 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706982 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587706983 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587707000 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587707001 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587707002 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(C#N)cc2)(C(F)(F)F)N1 ZINC000587707003 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707024 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707025 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707026 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707027 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707040 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707041 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707042 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707043 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707052 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707053 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707054 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707055 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707072 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707073 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707074 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707075 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587707162 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587707164 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587707165 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(NC(=O)OC(C)(C)C)ccnc2Cl)N1 ZINC000587707166 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587707191 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587707192 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587707195 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587707197 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587707205 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587707206 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587707207 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587707208 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707217 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707220 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707221 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707222 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587707241 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587707242 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587707244 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587707247 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587707273 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587707275 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587707277 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587707279 JK Annotated Mild Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707294 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707295 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707297 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587707299 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587707300 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587707301 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587707302 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587707303 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587707308 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587707309 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587707310 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2F)(C(F)(F)F)N1 ZINC000587707311 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707328 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707329 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707330 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707331 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707332 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707333 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707334 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(OC(F)F)cc2)N1 ZINC000587707335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587707376 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587707378 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587707380 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(OC(F)F)c2)N1 ZINC000587707383 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587707394 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587707395 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587707396 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)Cl)(c2ccc(F)cc2)N1 ZINC000587707397 JK Annotated Anodyne COc1cc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2cc1OC ZINC000587707430 JK Annotated Anodyne COc1cc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2cc1OC ZINC000587707431 JK Annotated Anodyne COc1cc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2cc1OC ZINC000587707432 JK Annotated Anodyne COc1cc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2cc1OC ZINC000587707433 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587707434 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587707435 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587707436 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587707437 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587707466 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587707467 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587707468 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587707469 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587707482 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587707483 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587707484 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(Cl)cc(Cl)c32)N1 ZINC000587707485 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707500 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707501 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707502 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707503 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587707508 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587707509 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587707510 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2F)(C(F)(F)F)N1 ZINC000587707511 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707516 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707517 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707518 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587707519 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707520 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707521 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707522 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707523 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587707536 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587707537 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587707538 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cc(Cl)ccc2Cl)N1 ZINC000587707539 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707540 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707541 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707542 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(CC(=O)C(F)(F)F)N1 ZINC000587707543 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707548 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707549 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707550 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc3ccccc3c2)N1 ZINC000587707551 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587707568 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587707569 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587707570 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cccc2Br)(C(F)(F)F)N1 ZINC000587707571 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707588 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707589 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707590 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587707591 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587707665 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587707666 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587707667 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)Br)(c2ccccc2)N1 ZINC000587707668 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587707681 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587707682 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587707683 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(C#N)c2)(c2ccc(Cl)nc2)N1 ZINC000587707684 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587707705 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587707706 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587707707 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587707708 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587707709 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)N1 ZINC000587707710 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587707711 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C(F)(F)Br)N1 ZINC000587707713 JK Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707714 JK Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707715 JK Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707716 JK Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707717 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CC2 ZINC000587707734 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CC2 ZINC000587707735 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CC2 ZINC000587707739 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707740 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707741 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707742 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707743 JK Annotated Anodyne CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CC2 ZINC000587707745 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707755 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707757 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707758 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707759 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587707774 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587707776 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587707777 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2Cl)N1 ZINC000587707778 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587707784 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587707785 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587707789 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2Cl)N1 ZINC000587707790 JK Annotated Anodyne CCN(CC)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587707791 JK Annotated Clean CCN(CC)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587707792 JK Annotated Clean CCN(CC)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587707794 JK Annotated Clean CCN(CC)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587707795 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587707797 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587707798 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587707799 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(F)(F)F)(C(C)(Br)Br)N1 ZINC000587707800 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587707801 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587707806 JK Annotated Anodyne CCN(CC)c1ccc2c(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587707811 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587707812 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587707813 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587707814 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)C(=O)C(F)(F)F)N1 ZINC000587707815 JK Annotated Reactive CCN(CC)c1ccc2c(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587707816 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587707826 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587707828 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587707829 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587707830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)/C=C/c2ccccc2)(C(F)(F)F)N1 ZINC000587707842 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)/C=C\c2ccccc2)(C(F)(F)F)N1 ZINC000587707843 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)/C=C\c2ccccc2)(C(F)(F)F)N1 ZINC000587707844 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)/C=C/c2ccccc2)(C(F)(F)F)N1 ZINC000587707845 JK Annotated Mild CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707847 JK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707848 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707849 JK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707851 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587707859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587707860 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587707861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\Nc2ccccc2C(=O)O)(C(F)(F)F)N1 ZINC000587707862 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587707867 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587707868 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587707869 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587707870 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707871 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707872 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707873 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587707874 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707875 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707876 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707877 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587707878 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707915 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707916 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707917 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587707920 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587707946 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587707948 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587707950 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587707952 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587707970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587707971 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587707973 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Cl)s2)N1 ZINC000587707974 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707981 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707983 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707985 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3ccccc3c2)(C(F)(F)F)N1 ZINC000587707988 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587707990 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587707992 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587707994 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587707996 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587708058 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587708059 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587708060 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2C#N)(c2cccnc2Cl)N1 ZINC000587708061 JK Annotated Mild COc1ccc(C(=O)C[C@@]2(C(F)(F)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708062 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708063 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708064 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708065 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587708066 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587708067 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587708068 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)N1 ZINC000587708069 JK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708080 JK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708081 JK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708082 JK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708083 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708116 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708119 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708120 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587708121 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708123 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587708126 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587708130 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)N1 ZINC000587708135 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587708190 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587708192 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587708193 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Br)(C(F)(F)F)N1 ZINC000587708194 JK Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587708248 JK Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587708250 JK Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587708251 JK Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587708252 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCC/C(=C\c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587708310 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCC/C(=C/c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587708311 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCC/C(=C\c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587708312 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCC/C(=C/c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587708313 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587708324 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587708326 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587708327 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587708328 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708355 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708356 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708357 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708358 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587708518 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587708519 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587708520 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)Cl)N1 ZINC000587708521 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587708580 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587708581 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587708582 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587708583 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)N1 ZINC000587708584 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587708590 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587708591 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587708593 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587708610 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587708611 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587708612 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587708613 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708642 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708643 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708644 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708645 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587708670 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587708671 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587708672 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587708673 JK Annotated Anodyne CCO/C=C(/Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708698 JK Annotated Anodyne CCO/C=C(\Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708699 JK Annotated Anodyne CCO/C=C(\Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708700 JK Annotated Anodyne CCO/C=C(/Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708701 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587708708 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587708709 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587708710 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(F)(F)Br)N1 ZINC000587708711 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2occc2Br)(C(F)(F)F)N1 ZINC000587708738 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2occc2Br)(C(F)(F)F)N1 ZINC000587708739 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2occc2Br)(C(F)(F)F)N1 ZINC000587708740 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2occc2Br)(C(F)(F)F)N1 ZINC000587708741 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587708746 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587708747 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587708748 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587708749 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708754 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708755 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708756 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708757 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587708794 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587708795 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587708796 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587708797 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708826 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708827 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708828 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708829 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587708834 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587708835 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587708836 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587708837 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587708842 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587708843 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587708844 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587708845 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587708856 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587708857 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587708858 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587708859 JK Annotated Anodyne CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587708860 JK Annotated Anodyne CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587708861 JK Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587708862 JK Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587708863 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587708872 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587708873 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587708874 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587708875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@H]2C(=O)C(F)(F)F ZINC000587708876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1)CCC[C@@H]2C(=O)C(F)(F)F ZINC000587708877 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1)CCC[C@H]2C(=O)C(F)(F)F ZINC000587708878 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@@H]2C(=O)C(F)(F)F ZINC000587708879 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587708908 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587708909 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587708910 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587708911 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@@H]2C(=O)C(F)(F)F ZINC000587708912 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1)CCC[C@@H]2C(=O)C(F)(F)F ZINC000587708913 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@H]2C(=O)C(F)(F)F ZINC000587708914 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1)CCC[C@H]2C(=O)C(F)(F)F ZINC000587708915 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587708944 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587708945 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587708946 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587708947 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587708968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587708969 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587708970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587708971 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587708976 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587708977 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587708978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587708979 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708982 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708983 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708984 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708985 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708986 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708987 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708988 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)c(Br)c2)(C(F)(F)F)N1 ZINC000587708989 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709082 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709083 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709084 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709085 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587709110 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587709111 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587709112 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587709113 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709126 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709127 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709128 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709129 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709154 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709155 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709156 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709157 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709304 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709305 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709306 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709307 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587709316 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587709317 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587709318 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587709319 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587709320 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587709321 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587709322 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)N1 ZINC000587709323 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)N1 ZINC000587709324 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)N1 ZINC000587709325 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)N1 ZINC000587709326 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)N1 ZINC000587709327 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709328 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709329 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709330 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709331 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709344 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709345 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709346 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 ZINC000587709347 JK Annotated Bother COc1ccc(Cl)cc1[C@]1(CC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709364 JK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709365 JK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709366 JK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709367 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587709376 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587709377 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587709378 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587709379 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCN(C(=O)OC(C)(C)C)CC2)(C(F)(F)F)N1 ZINC000587709380 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCN(C(=O)OC(C)(C)C)CC2)(C(F)(F)F)N1 ZINC000587709381 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCN(C(=O)OC(C)(C)C)CC2)(C(F)(F)F)N1 ZINC000587709382 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCN(C(=O)OC(C)(C)C)CC2)(C(F)(F)F)N1 ZINC000587709383 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587709388 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587709389 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587709390 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587709391 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709398 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709399 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709400 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)n2)(C(F)(F)F)N1 ZINC000587709401 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709414 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709415 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709416 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)c(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587709417 JK Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709426 JK Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709427 JK Annotated Mild CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709428 JK Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709429 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587709463 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587709464 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587709466 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587709468 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587709471 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587709472 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587709474 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587709476 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709485 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709492 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709493 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709494 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587709502 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587709504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587709505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3oc2=O)(C(F)(F)F)N1 ZINC000587709506 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587709552 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587709554 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587709557 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587709559 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587709569 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCC/C(=C/c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587709571 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCC/C(=C\c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587709572 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCC/C(=C/c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587709573 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCC/C(=C\c3ccccc3)C2=O)(C(F)(F)F)N1 ZINC000587709574 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587709579 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587709581 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587709583 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587709585 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587709587 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587709588 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587709589 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587709590 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587709594 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587709596 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587709598 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587709624 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587709625 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587709626 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587709627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709628 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709629 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709630 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709631 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587709636 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587709637 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587709638 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587709639 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587709652 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587709658 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587709659 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587709660 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587709661 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587709666 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587709667 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587709668 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709671 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709673 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709675 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709676 JK Annotated Mild CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709682 JK Annotated Mild CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709684 JK Annotated Mild CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709686 JK Annotated Mild CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709687 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587709689 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587709693 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587709694 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587709695 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587709696 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587709697 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587709699 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587709700 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587709701 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587709702 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587709703 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587709705 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587709723 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587709729 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587709731 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587709734 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587709748 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587709751 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587709754 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587709755 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587709757 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587709762 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587709764 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587709767 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709769 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709772 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709775 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709777 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587709779 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587709780 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587709781 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587709782 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587709783 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587709784 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587709785 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587709786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587709787 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709788 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587709789 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709790 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709791 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709793 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587709795 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587709796 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709797 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587709799 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709800 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587709801 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587709803 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587709807 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587709809 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587709811 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709824 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709826 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587709827 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709828 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587709829 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709830 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587709831 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)(F)C(F)(F)F)N1 ZINC000587709833 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709852 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709854 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709856 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709857 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709866 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709870 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709873 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587709899 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587709901 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587709912 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587709913 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587709914 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587709915 JK Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587709924 JK Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587709925 JK Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587709926 JK Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587709927 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587709928 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587709929 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587709930 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587709931 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587709963 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587709965 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587709974 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587709976 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587709977 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587709978 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709979 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709980 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709982 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587709984 JK Annotated Mild CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709987 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709990 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709992 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587709993 JK Annotated Reactive CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709994 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709995 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709996 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587709997 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587709998 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587709999 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587710000 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587710001 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710002 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710004 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710007 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710009 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710028 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710030 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710032 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710034 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccc3C(F)(F)F)CC2)N1 ZINC000587710037 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccc3C(F)(F)F)CC2)N1 ZINC000587710039 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587710059 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587710060 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587710061 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587710063 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587710092 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587710094 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587710097 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587710100 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587710122 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587710125 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587710126 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587710127 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587710128 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587710134 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587710136 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587710138 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587710141 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587710142 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587710143 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587710145 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587710150 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587710152 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587710155 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587710156 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587710165 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587710166 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587710167 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587710168 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710173 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710174 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710176 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710178 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710212 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710213 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710214 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710215 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587710216 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587710217 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587710218 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 ZINC000587710219 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(=C/N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710220 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(=C\N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710221 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(=C\N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710222 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(=C/N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710223 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587710224 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587710225 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587710226 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587710227 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710240 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710241 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710242 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710243 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587710260 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587710261 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587710262 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)Cl)cc2)(C(F)(F)F)N1 ZINC000587710263 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587710268 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587710269 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587710270 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCCN(Cc3ccccc3)C2)(C(F)(F)F)N1 ZINC000587710271 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3C(F)(F)F)CC2)N1 ZINC000587710281 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587710283 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587710284 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3C(F)(F)F)CC2)N1 ZINC000587710285 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587710286 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710287 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)F)N1 ZINC000587710288 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710289 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710291 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710293 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2occc2Br)(C(F)(F)F)N1 ZINC000587710306 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2occc2Br)(C(F)(F)F)N1 ZINC000587710308 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2occc2Br)(C(F)(F)F)N1 ZINC000587710310 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587710311 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2occc2Br)(C(F)(F)F)N1 ZINC000587710312 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587710314 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587710316 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587710318 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710321 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710323 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710326 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710328 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587710330 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587710332 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587710334 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)OCC(F)(F)F)c2)N1 ZINC000587710336 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587710338 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587710340 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587710342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710343 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)(C(F)(F)F)N1 ZINC000587710344 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710345 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710347 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710349 JK Annotated Reactive COc1cc(CCCC(F)(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710354 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710357 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587710358 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710359 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587710360 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587710361 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710362 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587710363 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710364 JK Annotated Mild CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710365 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710366 JK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710367 JK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710368 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710372 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710374 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710375 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710376 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710384 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710386 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710388 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587710443 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587710444 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587710445 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587710446 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710447 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710448 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710449 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3C(F)(F)F)o2)N1 ZINC000587710450 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710463 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710465 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710468 JK Annotated Anodyne Cc1cc(C(F)(F)F)ccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710469 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710470 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)([C@H]2CCCCC2=O)N1 ZINC000587710471 JK Annotated Anodyne Cc1cc(C(F)(F)F)ccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710472 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)([C@H]2CCCCC2=O)N1 ZINC000587710473 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)([C@@H]2CCCCC2=O)N1 ZINC000587710474 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)([C@@H]2CCCCC2=O)N1 ZINC000587710475 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710476 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710477 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710478 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587710488 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587710489 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587710490 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587710491 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587710500 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587710501 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587710502 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587710503 JK Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710504 JK Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710505 JK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710506 JK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710507 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710516 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710517 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710518 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710519 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587710548 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587710549 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587710550 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587710551 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587710552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587710553 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587710554 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)cs2)(C(F)(F)F)N1 ZINC000587710555 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710572 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710573 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710574 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710575 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587710592 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587710593 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587710594 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccco2)N1 ZINC000587710595 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587710600 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587710601 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587710602 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=C(c3ccccc3)NCC2)(C(F)(F)F)N1 ZINC000587710603 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710608 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710609 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710610 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710611 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710612 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710613 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710614 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710615 JK Annotated Mild Cc1cc(C(F)(F)F)ccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710636 JK Annotated Mild Cc1cc(C(F)(F)F)ccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710637 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587710670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587710671 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587710672 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587710673 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710674 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710675 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710676 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587710677 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710678 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710679 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710680 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710681 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COCC(F)(F)F ZINC000587710686 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COCC(F)(F)F ZINC000587710687 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COCC(F)(F)F ZINC000587710688 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COCC(F)(F)F ZINC000587710689 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710714 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710715 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710716 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710717 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710718 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710719 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710720 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccccc2C(F)(F)F)N1 ZINC000587710721 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587710724 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587710726 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587710728 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587710729 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587710730 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587710735 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587710736 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587710737 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587710738 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587710739 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587710740 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587710742 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587710756 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587710757 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587710758 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587710759 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587710760 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587710761 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587710762 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587710763 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587710772 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587710773 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587710786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587710787 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587710788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587710789 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587710792 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587710793 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710806 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710807 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710808 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710809 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587710834 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587710835 JK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710840 JK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710841 JK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710842 JK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710843 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587710852 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587710853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587710854 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587710855 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587710856 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587710857 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587710858 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587710859 JK Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587710880 JK Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587710881 JK Annotated Anodyne CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587710882 JK Annotated Anodyne CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587710883 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710920 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710921 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710922 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710923 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710924 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710925 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710926 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587710927 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710932 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710933 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710934 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710935 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710954 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710955 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710956 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(F)(F)F)ccc2N)(C(F)(F)F)N1 ZINC000587710957 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710962 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710963 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710964 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710965 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710990 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710991 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710992 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710993 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587710998 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587710999 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587711000 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587711001 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2Br)N1 ZINC000587711018 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2Br)N1 ZINC000587711019 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2Br)N1 ZINC000587711020 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2Br)N1 ZINC000587711021 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587711022 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587711023 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587711024 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587711025 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587711026 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587711027 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587711028 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587711029 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711030 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711031 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711032 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711033 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587711036 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)N1 ZINC000587711037 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711067 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711070 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711072 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711074 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711077 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711079 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711080 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711082 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711095 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711101 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711102 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711103 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711104 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711105 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711106 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711107 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711108 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711109 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711110 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711111 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711112 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711113 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711115 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C(=O)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711116 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711117 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711118 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711119 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711121 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711133 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711134 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711135 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711136 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711141 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711142 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711143 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711144 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711150 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711153 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711155 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711157 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711160 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711162 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711164 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711165 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587711169 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587711170 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587711171 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(F)(F)F ZINC000587711172 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587711197 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711198 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587711199 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587711201 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711202 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)cc2OCCC(F)(F)F)N1 ZINC000587711203 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587711204 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711205 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587711206 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711207 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587711208 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711209 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587711210 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)OCC(F)(F)F)N1 ZINC000587711211 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587711220 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587711222 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587711225 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587711227 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711230 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711232 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711234 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711235 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587711242 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587711243 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587711244 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587711245 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)N1 ZINC000587711250 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)N1 ZINC000587711251 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)N1 ZINC000587711252 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)N1 ZINC000587711253 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587711254 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587711255 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587711256 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587711257 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587711274 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587711275 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587711276 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587711277 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711286 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711287 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711288 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711289 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711290 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711291 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711292 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711293 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711294 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711295 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711296 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711297 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711302 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711303 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711304 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711305 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587711306 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587711307 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587711308 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587711309 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711310 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711311 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711312 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711313 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587711314 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587711315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587711316 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587711317 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587711318 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587711319 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587711320 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587711321 JK Annotated Reactive CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711378 JK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711379 JK Annotated Mild CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711380 JK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711381 JK Annotated Mild COc1cc(CCCC(F)(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711398 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711399 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711400 JK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711401 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)N1 ZINC000587711414 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)N1 ZINC000587711415 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)N1 ZINC000587711416 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)N1 ZINC000587711417 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587711422 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587711423 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587711424 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)F)N1 ZINC000587711425 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587711426 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587711427 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587711428 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587711429 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711430 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711431 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711432 JK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587711433 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587711434 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587711435 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587711438 JK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587711439 JK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587711440 JK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587711441 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587711469 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587711471 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587711473 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587711474 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711484 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711486 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711488 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711490 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711503 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711504 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(C(F)(F)F)c2)N1 ZINC000587711506 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711523 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711524 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711525 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711526 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711549 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711550 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711553 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711554 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711555 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587711556 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711557 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587711558 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711559 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587711560 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587711562 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711569 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711571 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711573 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587711576 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711578 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711579 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711580 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711581 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711582 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711583 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711584 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711585 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587711587 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587711593 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587711594 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587711596 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587711598 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C2)N1 ZINC000587711599 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587711600 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C2)N1 ZINC000587711604 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711606 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711608 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711609 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711610 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587711611 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587711612 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587711614 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587711615 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587711636 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2sc(N)nc2-c2cccs2)(C(F)(F)F)N1 ZINC000587711637 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587711638 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587711639 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587711640 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cn2)(C(F)(F)F)N1 ZINC000587711641 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587711642 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587711643 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587711644 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587711645 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587711658 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587711659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587711660 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587711661 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711662 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711663 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711664 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711665 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587711670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587711671 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587711672 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)o2)(C(F)(F)F)N1 ZINC000587711673 JK Annotated Anodyne CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711688 JK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711689 JK Annotated Mild CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711690 JK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711691 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587711712 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587711713 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587711714 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587711715 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587711728 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587711729 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587711730 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587711731 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711744 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711745 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711746 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711747 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711748 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711749 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711750 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 ZINC000587711751 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711752 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711753 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711754 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587711755 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587711764 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587711765 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587711766 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(F)(F)F)c2O)N1 ZINC000587711767 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587711772 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587711773 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587711774 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587711775 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587711811 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587711812 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587711813 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587711814 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587711815 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587711817 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587711818 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587711820 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711823 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711824 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711826 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711827 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711837 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711839 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711841 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587711842 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711855 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711857 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711859 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587711861 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711863 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711865 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711867 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587711870 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587711873 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587711874 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587711875 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587711876 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711877 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711882 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711884 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587711886 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587711892 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587711893 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587711914 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587711915 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587711916 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587711917 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711926 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711927 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711928 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587711929 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711940 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711941 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711942 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711943 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711960 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711961 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711962 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@](O)(c2ccccc2)C(F)(F)F)(C(C)(C)C)N1 ZINC000587711963 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711964 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711965 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711966 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711967 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587711968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587711969 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587711970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)s2)(C(F)(F)F)N1 ZINC000587711971 JK Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712004 JK Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712005 JK Annotated Mild CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712006 JK Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712007 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712036 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712037 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712038 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712039 JK Annotated Clean Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F ZINC000587712084 JK Annotated Mild Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F ZINC000587712085 JK Annotated Mild Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F ZINC000587712086 JK Annotated Mild Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F ZINC000587712087 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587712092 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587712093 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587712094 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)N1 ZINC000587712095 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587712104 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587712106 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587712108 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2Br)N1 ZINC000587712110 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587712112 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587712114 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587712116 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587712118 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587712120 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587712121 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587712122 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587712123 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587712124 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587712125 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587712126 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587712128 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587712135 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587712137 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587712139 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587712141 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712145 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712146 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712147 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712148 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712149 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712151 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712153 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)F)N1 ZINC000587712156 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587712174 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712178 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712180 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712182 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712184 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587712186 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587712188 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587712189 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587712190 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587712191 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587712193 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(F)(F)F ZINC000587712195 JK Annotated Reactive Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712199 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712211 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712212 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712213 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712214 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712215 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712216 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712217 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587712230 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587712231 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587712232 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)nc2Br)N1 ZINC000587712233 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712234 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712235 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712236 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712237 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587712258 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587712259 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587712260 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)N1 ZINC000587712261 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712262 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712263 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712264 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712265 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587712270 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587712271 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587712272 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000587712273 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587712274 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587712275 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587712276 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587712277 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587712290 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587712291 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587712292 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587712293 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712308 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712309 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712310 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712311 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587712316 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587712317 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587712318 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587712319 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COCC(F)(F)F ZINC000587712324 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COCC(F)(F)F ZINC000587712325 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COCC(F)(F)F ZINC000587712326 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COCC(F)(F)F ZINC000587712327 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587712340 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587712341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587712342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587712343 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C2)N1 ZINC000587712356 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C2)N1 ZINC000587712357 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587712362 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587712363 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587712364 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587712365 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587712374 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587712375 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587712376 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587712377 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587712416 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587712417 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587712418 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587712419 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587712443 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587712448 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587712449 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587712450 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587712456 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587712457 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587712459 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587712461 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587712463 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587712465 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587712467 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587712469 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587712470 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587712475 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587712476 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587712477 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587712478 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587712482 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587712484 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712485 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587712486 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712488 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712489 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712490 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587712491 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587712492 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587712494 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587712497 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587712498 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587712499 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587712500 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587712501 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587712502 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587712503 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587712504 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587712505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587712520 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587712521 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587712523 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(C(F)(F)F)cc2)(c2ccco2)N1 ZINC000587712524 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587712526 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587712527 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587712528 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587712529 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587712530 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587712533 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587712534 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587712536 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)([C@H]2CCCCC2=O)N1 ZINC000587712543 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)([C@H]2CCCCC2=O)N1 ZINC000587712544 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)([C@@H]2CCCCC2=O)N1 ZINC000587712545 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)([C@@H]2CCCCC2=O)N1 ZINC000587712546 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712554 JK Annotated Anodyne CCC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712555 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712556 JK Annotated Anodyne CCC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712558 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712569 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712572 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712573 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712577 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587712615 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587712617 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587712618 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587712619 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587712624 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587712625 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587712626 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N1 ZINC000587712627 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712628 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712629 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712630 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712631 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712632 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712633 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712634 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712635 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712636 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712637 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712638 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712639 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712640 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712641 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712642 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712643 JK Annotated Mild Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712644 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712645 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712646 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712647 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712648 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712649 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 ZINC000587712650 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 ZINC000587712651 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712652 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712653 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712654 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712655 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587712668 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587712669 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587712670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(C(F)(F)F)c2F)N1 ZINC000587712671 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712672 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712673 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712674 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712675 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712676 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712677 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712678 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)N1 ZINC000587712679 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712680 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712681 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712682 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712683 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587712779 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587712787 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587712789 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587712792 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587712794 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587712797 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587712799 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)N1 ZINC000587712802 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712813 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712816 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712818 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587712821 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712824 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712827 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712830 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712833 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587712841 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587712851 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587712854 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587712857 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712858 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712862 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712864 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587712866 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587712868 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587712871 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587712874 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2C(F)(F)F)N1 ZINC000587712877 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587712882 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712885 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712888 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712891 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587712892 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587712893 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587712895 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587712896 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587712897 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587712900 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587712901 JK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587712904 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712906 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712908 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712910 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712912 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712925 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712957 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712958 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712959 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712960 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712961 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587712962 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712964 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587712966 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587712972 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587712975 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587712977 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587712979 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587712982 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587712985 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587712988 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587713004 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587713010 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587713013 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587713016 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713051 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713054 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713057 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713059 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(F)F ZINC000587713068 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(F)F ZINC000587713069 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(F)F ZINC000587713070 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(F)F ZINC000587713071 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587713084 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587713085 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587713086 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587713087 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587713139 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587713141 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587713143 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587713145 JK Annotated Mild CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713158 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713160 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713161 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713162 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713163 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713165 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713168 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713169 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587713189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587713191 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587713192 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587713193 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587713194 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587713196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)N1 ZINC000587713197 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c(Br)c2)N1 ZINC000587713199 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587713201 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587713204 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587713206 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587713209 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587713212 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587713216 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587713219 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713220 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1 ZINC000587713222 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713225 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587713226 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713228 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587713230 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)c(F)cc2C(=O)O)N1 ZINC000587713232 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587713233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587713238 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587713239 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587713255 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3cccc(C(F)(F)F)c3)CC2)N1 ZINC000587713257 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587713263 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587713264 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587713266 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587713268 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587713269 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 ZINC000587713270 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587713272 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587713307 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587713315 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587713316 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587713317 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)cc2C(F)(F)F)N1 ZINC000587713318 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587713325 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587713327 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587713329 JK Annotated Mild Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713332 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713334 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713336 JK Annotated Anodyne Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713341 JK Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713389 JK Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713391 JK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713394 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587713396 JK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713397 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587713398 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587713401 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587713403 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587713425 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587713426 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587713428 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587713429 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587713591 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587713594 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587713595 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2C(F)(F)F)N1 ZINC000587713596 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587713601 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587713602 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587713604 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 ZINC000587713605 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713606 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713607 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713608 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713609 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587713614 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587713615 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587713617 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2N)(C(F)(F)F)N1 ZINC000587713618 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587713619 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587713620 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587713621 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587713622 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587713623 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587713624 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587713625 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 ZINC000587713626 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587713641 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587713644 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587713646 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587713647 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587713649 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587713651 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587713653 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587713654 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713668 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713672 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713677 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587713678 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccccc3C(F)(F)F)C2)N1 ZINC000587713680 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587713694 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587713696 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587713698 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587713719 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587713722 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587713724 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587713726 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587713728 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587713731 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587713734 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(F)(F)F)c2F)N1 ZINC000587713737 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587713762 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587713765 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587713767 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1 ZINC000587713769 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587713785 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587713786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587713787 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000587713788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713793 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713794 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713795 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713796 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713818 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713822 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713825 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713828 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713833 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713835 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713837 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587713853 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587713854 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587713856 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587713858 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1F ZINC000587713877 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1F ZINC000587713884 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1F ZINC000587713885 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1F ZINC000587713886 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713919 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713920 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713921 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713922 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587713924 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587713925 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587713926 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)N1 ZINC000587713927 JK Annotated Clean CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713937 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713939 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713942 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713943 JK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587714033 JK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587714034 JK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587714035 JK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587714036 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714108 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714109 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714110 JK Annotated Anodyne Cc1cc(C(F)(F)F)ccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714115 JK Annotated Mild Cc1cc(C(F)(F)F)ccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714116 JK Annotated Mild Cc1cc(C(F)(F)F)ccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714117 JK Annotated Mild Cc1cc(C(F)(F)F)ccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714118 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3C(F)(F)F)CC2)N1 ZINC000587714119 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3C(F)(F)F)CC2)N1 ZINC000587714120 JK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714121 JK Annotated Mild CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714122 JK Annotated Mild CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714123 JK Annotated Mild CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714124 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714167 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714169 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714171 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714173 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3C(F)(F)F)CC2)N1 ZINC000587714175 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3C(F)(F)F)CC2)N1 ZINC000587714177 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587714190 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587714196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587714198 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587714199 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587714204 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587714205 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587714206 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(C(F)(F)F)N1 ZINC000587714207 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587714226 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587714230 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587714231 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587714233 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587714272 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587714283 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587714286 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587714290 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587714293 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587714295 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587714297 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587714299 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587714300 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587714302 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587714304 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587714306 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587714341 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587714343 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587714345 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587714348 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587714361 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587714362 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587714364 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587714366 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587714447 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587714449 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587714450 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587714451 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587714488 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587714493 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587714494 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587714495 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587714504 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714508 JK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714510 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 ZINC000587714512 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587714514 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2C(F)(F)F)([C@@H](C)Br)N1 ZINC000587714516 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587714518 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587714521 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587714575 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587714578 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587714579 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587714580 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587714581 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587714582 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2C(F)(F)F)N1 ZINC000587714584 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587714585 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714596 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714598 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714601 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587714603 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587714636 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587714638 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587714640 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587714641 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587714642 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587714644 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587714647 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587714650 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587714651 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587714674 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587714678 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587714682 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587714690 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587714693 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587714696 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587714700 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587714713 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587714718 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587714719 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587714721 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)N1 ZINC000587714723 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587714726 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587714729 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587714732 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587714775 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587714778 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587714780 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587714782 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587714790 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587714797 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587714801 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587714805 JK Annotated Anodyne Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587714877 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587714878 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587714887 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587714888 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587714889 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587714890 JK Annotated Mild COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587714953 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587714961 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587714964 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714965 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587714967 JK Annotated Anodyne CC[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714968 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714971 JK Annotated Anodyne CC[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714974 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587714976 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587714979 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587714982 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)N1 ZINC000587714984 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715013 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715016 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715018 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715020 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715051 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715054 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715057 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587715093 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587715095 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587715097 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587715099 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587715100 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587715102 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587715104 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)N1 ZINC000587715106 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715109 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715111 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715114 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715117 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587715189 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587715190 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587715191 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1 ZINC000587715192 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587715205 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587715206 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587715207 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587715208 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587715221 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587715222 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587715223 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 ZINC000587715224 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715229 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715230 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715231 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715232 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587715233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587715234 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587715235 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2C(F)(F)F)N1 ZINC000587715236 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715249 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715250 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715251 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715252 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587715261 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587715262 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587715263 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2C(F)(F)F)N1 ZINC000587715264 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587715274 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587715276 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587715277 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)N1 ZINC000587715279 JK Annotated Anodyne Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715310 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715312 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 ZINC000587715365 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587715369 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587715372 JK Annotated Anodyne C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715373 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587715375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 ZINC000587715376 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2OC(F)F)N1 ZINC000587715377 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715378 JK Annotated Reactive Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(F)(F)F)nn2C)cc1 ZINC000587715400 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(F)(F)F)nn2C)cc1 ZINC000587715404 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(F)(F)F)nn2C)cc1 ZINC000587715408 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(F)(F)F)nn2C)cc1 ZINC000587715413 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587715414 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587715415 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587715417 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587715418 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587715419 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587715420 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587715421 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2F)(C2CC2)N1 ZINC000587715422 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587715425 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587715427 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587715430 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Cl)c2)N1 ZINC000587715433 JK Annotated Reactive CSc1cccc([C@@]2(c3cc(F)ccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587715447 JK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587715451 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587715455 JK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587715456 JK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587715458 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587715460 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587715464 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587715468 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587715473 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587715475 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587715476 JK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715477 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587715478 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587715479 JK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715480 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)N1 ZINC000587715481 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587715482 JK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715483 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587715486 JK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715488 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587715492 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587715495 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587715498 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587715501 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587715502 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587715518 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587715520 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587715522 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587715606 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587715610 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587715612 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587715614 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587715636 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587715639 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587715642 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587715645 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587715659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587715666 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587715670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587715675 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587715680 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587715681 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587715684 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587715687 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587715690 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587715692 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587715695 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587715697 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587715698 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587715699 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587715700 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587715703 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587715707 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587715708 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587715709 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587715711 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587715714 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587715718 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587715723 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587715728 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587715740 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587715741 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587715744 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587715746 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587715751 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587715752 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587715753 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587715754 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715755 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715756 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715759 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)N1 ZINC000587715762 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587715764 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587715765 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587715766 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1 ZINC000587715767 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587715780 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587715781 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587715782 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587715783 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715784 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715787 JK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715788 JK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715789 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587715790 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587715791 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587715792 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587715793 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587715795 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587715798 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587715800 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587715803 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715885 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715886 JK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715887 JK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715888 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3C(F)(F)F)CC2)N1 ZINC000587715893 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3C(F)(F)F)CC2)N1 ZINC000587715894 JK Annotated Anodyne Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F ZINC000587715895 JK Annotated Mild Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F ZINC000587715896 JK Annotated Mild Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F ZINC000587715897 JK Annotated Mild Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F ZINC000587715898 JK Annotated Mild CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587715903 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587715904 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587715905 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587715906 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587715907 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587715908 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587715909 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)N1 ZINC000587715910 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715915 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715916 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715917 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587715918 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587715923 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587715924 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587715925 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(C(F)(F)F)c2)N1 ZINC000587715926 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587715955 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587715956 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587715957 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587715958 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715959 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715960 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715961 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587715962 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587715963 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587715964 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587715965 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2C(F)(F)F)N1 ZINC000587715966 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587715967 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587715968 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587715969 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)N1 ZINC000587715970 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587715971 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587715972 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587715973 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)N1 ZINC000587715974 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587715983 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587715984 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587715985 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587715986 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587715995 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587715996 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587715997 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587715998 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587716024 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587716025 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587716027 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587716029 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716064 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716065 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716066 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716067 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716076 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587716080 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587716081 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587716082 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccc(F)c(F)c2F)N1 ZINC000587716083 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716085 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716088 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716091 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587716132 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587716133 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587716135 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587716137 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716148 JK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716149 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716150 JK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716151 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)N1 ZINC000587716157 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)(F)F)N1 ZINC000587716174 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)N1 ZINC000587716176 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)(F)F)N1 ZINC000587716180 JK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716197 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716215 JK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716219 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716222 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587716228 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587716230 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587716232 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587716233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587716234 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(Cl)cc2F)N1 ZINC000587716235 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587716236 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587716238 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587716240 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587716242 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587716244 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587716246 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587716251 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587716268 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587716271 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587716273 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccc(C(F)(F)F)c2)N1 ZINC000587716275 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(=C\N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587716277 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(=C\N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587716278 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(=C/N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587716280 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(=C/N(C)C)c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587716282 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587716284 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587716286 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587716288 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)N1 ZINC000587716290 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)N1 ZINC000587716297 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)N1 ZINC000587716299 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)N1 ZINC000587716301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)N1 ZINC000587716303 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587716305 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587716307 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587716308 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587716309 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587716310 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)N1 ZINC000587716311 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587716312 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)N1 ZINC000587716315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587716329 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587716330 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587716331 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)N1 ZINC000587716332 JK Annotated Mild COC(=O)c1ccc(F)c(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587716346 JK Annotated Clean COC(=O)c1ccc(F)c(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587716349 JK Annotated Clean COC(=O)c1ccc(F)c(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587716352 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716357 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587716358 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716360 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587716361 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716363 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587716364 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716366 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587716367 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587716368 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587716369 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587716370 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587716371 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587716372 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587716373 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587716374 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(C(F)(F)F)c2)N1 ZINC000587716375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587716433 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587716437 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587716438 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587716441 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587716443 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587716444 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2C(F)(F)F)(C(F)(F)F)N1 ZINC000587716445 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587716446 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587716449 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587716452 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587716455 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587716456 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587716457 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587716459 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587716461 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587716463 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587716465 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587716467 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587716469 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587716472 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587716491 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587716497 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587716504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1cc(C(F)(F)F)ccc12 ZINC000587716508 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587716655 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716669 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587716671 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587716674 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716675 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587716677 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716679 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587716680 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716682 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587716685 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587716689 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587716692 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587716695 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716697 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716701 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716705 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587716708 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716711 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587716713 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716716 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587716717 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716720 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716726 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587716729 JK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716730 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587716733 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587716736 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587716737 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587716739 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587716741 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587716743 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)cc2Br)N1 ZINC000587716749 JK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716764 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587716768 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716771 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587716772 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587716774 JK Annotated Clean Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716777 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587716778 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587716780 JK Annotated Clean COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587716784 JK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716786 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587716788 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587716793 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587716798 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587716802 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587716807 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1 ZINC000587716812 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587716818 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587716823 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587716839 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587716842 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587716847 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ncc2Br)N1 ZINC000587716851 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587716868 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587716874 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587716881 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OC(F)(F)F)N1 ZINC000587716886 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716915 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716919 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716922 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587716926 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587716949 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587716954 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587716958 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587716962 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2c(F)cccc2F)N1 ZINC000587716968 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 ZINC000587716972 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 ZINC000587716976 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587716978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2c(F)cccc2F)N1 ZINC000587716980 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587716983 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587716985 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N1 ZINC000587716989 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587716992 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587716996 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587717000 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587717006 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3c(F)cccc3Cl)CC2)N1 ZINC000587717007 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3c(F)cccc3Cl)CC2)N1 ZINC000587717021 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587717084 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587717089 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587717092 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3cccc(C(F)(F)F)c3)C2)N1 ZINC000587717096 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717098 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717102 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717105 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717108 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587717112 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587717115 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587717120 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)N1 ZINC000587717124 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587717154 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587717156 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587717157 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587717160 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717170 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717184 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587717243 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587717244 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587717245 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587717246 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717259 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717264 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587717286 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587717292 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587717297 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587717298 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587717301 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587717303 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587717305 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587717309 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717310 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587717313 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587717315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717316 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587717318 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587717319 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717320 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1 ZINC000587717323 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587717325 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717327 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587717332 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587717336 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717378 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587717382 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717385 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717389 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc(C(F)(F)F)c2)N1 ZINC000587717394 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587717400 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587717407 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587717412 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587717456 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587717462 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587717467 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)N1 ZINC000587717473 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587717478 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587717482 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587717486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587717492 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717509 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717513 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717518 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587717523 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717525 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717528 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587717529 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717531 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587717533 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717535 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587717537 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCN3CCC(C(F)(F)F)CC3)c2)N1 ZINC000587717540 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587717541 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587717544 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717546 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587717550 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717551 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)N1 ZINC000587717555 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717558 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717583 JK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717588 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717594 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717598 JK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717599 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717607 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717612 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717619 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587717643 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587717651 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587717655 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587717656 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587717657 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587717660 JK Annotated Clean Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587717661 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587717666 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587717667 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587717670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587717672 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587717676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587717680 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717682 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717684 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717686 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717689 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717692 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717696 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717699 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(C(F)(F)F)c3)c2)N1 ZINC000587717701 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587717703 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587717704 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587717708 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587717711 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587717715 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587717717 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587717721 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587717859 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587717860 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587717861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587717862 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587717872 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587717875 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587717878 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717879 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(Cl)c2F)N1 ZINC000587717881 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717882 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717884 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717885 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2F)([C@@H](C)Br)N1 ZINC000587717886 JK Annotated Reactive C[C@H](Br)[C@]1(c2cc(F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717890 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2F)([C@@H](C)Br)N1 ZINC000587717892 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587717896 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587717905 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587717906 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587717907 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587717909 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587717910 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587717911 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587717913 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)N1 ZINC000587717914 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(Br)cc2)N1 ZINC000587717916 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587717922 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587717924 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587717928 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587717929 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587717932 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587717935 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587717938 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587717940 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587717942 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587717947 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587717948 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717964 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717968 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587717972 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717973 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587717977 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587717978 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587717981 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3c(F)cccc3Cl)CC2)N1 ZINC000587718031 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3c(F)cccc3Cl)CC2)N1 ZINC000587718039 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587718058 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587718061 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587718064 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(C(F)(F)F)cc(C(F)(F)F)n2C)N1 ZINC000587718068 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587718101 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587718105 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587718109 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587718112 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587718131 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587718134 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587718138 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3cc(F)ccc3F)cc2)N1 ZINC000587718143 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718146 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718155 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718159 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718160 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718161 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718167 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718171 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718174 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587718182 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587718184 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587718187 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587718192 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587718198 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718204 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718206 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718209 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587718224 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587718226 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587718229 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(C(F)(F)F)c2)N1 ZINC000587718231 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718238 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587718244 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587718245 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587718246 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000587718247 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587718248 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587718250 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587718252 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718278 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718280 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718281 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587718305 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587718308 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587718312 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)N1 ZINC000587718315 JK Annotated Anodyne Cc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl ZINC000587718331 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl ZINC000587718341 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl ZINC000587718344 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587718347 JK Annotated Anodyne Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl ZINC000587718348 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587718349 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587718351 JK Annotated Anodyne Cc1cc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718352 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(OC(F)F)c2)N1 ZINC000587718354 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587718356 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587718357 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587718358 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 ZINC000587718359 JK Annotated Reactive Cc1cc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718392 JK Annotated Anodyne Cc1cc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718393 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718394 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587718396 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587718398 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587718399 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587718401 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587718487 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587718488 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587718489 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)N1 ZINC000587718490 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587718495 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587718496 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587718497 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Sc1ccc(C(F)(F)F)cc12 ZINC000587718498 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587718511 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587718512 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587718513 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587718514 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718515 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718516 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718517 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718518 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(F)(F)F)nn2C)cc1 ZINC000587718526 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(F)(F)F)nn2C)cc1 ZINC000587718528 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(F)(F)F)nn2C)cc1 ZINC000587718529 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(F)(F)F)nn2C)cc1 ZINC000587718530 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)(F)F ZINC000587718566 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)(F)F ZINC000587718568 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)(F)F ZINC000587718571 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)(F)F ZINC000587718575 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587718579 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587718585 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587718589 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587718591 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587718593 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587718594 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587718597 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 ZINC000587718598 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587718600 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587718612 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718613 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718616 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718619 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(Br)c2F)N1 ZINC000587718621 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587718627 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587718630 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587718634 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587718637 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587718640 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587718644 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587718658 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587718661 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587718664 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cc(F)c(F)c2F)N1 ZINC000587718668 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587718672 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587718676 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587718680 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587718683 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587718685 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587718689 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587718693 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587718696 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587718730 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587718734 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587718739 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C23CC4CC(CC(C4)C2)C3)(C(F)F)N1 ZINC000587718744 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587718789 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587718792 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587718794 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587718796 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587718797 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587718800 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587718801 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587718804 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587718807 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587718810 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587718813 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Cl)cc2Br)N1 ZINC000587718816 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587718827 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587718830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587718832 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587718835 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718916 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718917 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718918 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc(OC(F)F)c2)N1 ZINC000587718919 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719073 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719076 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719084 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719088 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587719090 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587719092 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587719095 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cc(C(=O)O)ccc3F)c2)N1 ZINC000587719098 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719100 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587719106 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587719108 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719110 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587719111 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719113 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587719114 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719118 JK Annotated Bother CCC[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719134 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719135 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587719136 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719138 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587719140 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719141 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587719144 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)N1 ZINC000587719149 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587719215 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587719220 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587719223 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587719224 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2c(F)cc(F)cc2F)N1 ZINC000587719225 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587719227 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587719230 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587719233 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587719237 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587719245 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587719248 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587719250 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587719254 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587719256 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587719258 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2F)N1 ZINC000587719261 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587719285 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587719292 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587719295 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(F)c(C(=O)O)c2)N1 ZINC000587719299 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719300 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719301 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719304 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719305 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587719348 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587719350 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587719352 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(F)c2F)N1 ZINC000587719354 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 ZINC000587719393 JK Annotated Reactive C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719395 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cc(F)cc2F)([C@@H](C)Br)N1 ZINC000587719397 JK Annotated Reactive C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719399 JK Annotated Reactive Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587719407 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587719408 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587719409 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587719410 JK Annotated Clean Cc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl ZINC000587719547 JK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl ZINC000587719548 JK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl ZINC000587719549 JK Annotated Reactive Cc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl ZINC000587719550 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719551 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719553 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc(Br)c2F)N1 ZINC000587719554 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587719567 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587719570 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587719573 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587719577 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587719618 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587719620 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587719623 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)F)N1 ZINC000587719625 JK Annotated Anodyne Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719663 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719667 JK Annotated Reactive Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719671 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587719674 JK Annotated Anodyne Cc1ccc(OC(F)F)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719675 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587719677 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587719680 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587719683 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587719687 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587719691 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587719696 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587719699 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587719702 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587719705 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587719708 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1 ZINC000587719710 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587719713 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587719717 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587719720 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587719722 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587719728 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587719732 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587719736 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)N1 ZINC000587719739 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587719742 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719743 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587719745 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719747 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587719749 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719750 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)F)c2)N1 ZINC000587719753 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2OC(F)(F)F)N1 ZINC000587719754 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587719785 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587719790 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587719796 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587719800 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719815 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719817 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719819 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587719822 JK Annotated Bother Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587719843 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587719846 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587719849 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(F)c1F ZINC000587719852 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587719871 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587719885 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587719886 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587719887 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587719889 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587719890 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587719892 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587719893 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720027 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720028 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720029 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720030 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587720031 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587720032 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587720033 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)cc2F)N1 ZINC000587720034 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587720035 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587720036 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587720037 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Br)cc2Cl)N1 ZINC000587720038 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720047 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720055 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720057 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720075 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720077 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720080 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720083 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587720097 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587720099 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587720101 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587720102 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587720103 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587720104 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587720105 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(Br)c2Cl)N1 ZINC000587720106 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587720107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587720108 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587720109 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587720110 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587720111 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587720112 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587720114 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(Br)c2F)N1 ZINC000587720115 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587720176 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587720179 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587720183 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)N1 ZINC000587720187 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720207 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587720217 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720220 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720222 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720223 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720224 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720225 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720227 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720229 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587720234 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587720236 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587720238 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587720241 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587720246 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587720248 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587720250 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587720307 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587720313 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587720315 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587720317 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587720349 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587720351 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587720352 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)(F)F)cc2)(C(C)(C)C)N1 ZINC000587720354 JK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720355 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720357 JK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720358 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720360 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587720378 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587720380 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587720382 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587720384 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587720401 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587720402 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587720403 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2)N1 ZINC000587720404 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720409 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720410 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720411 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720412 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587720413 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587720414 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587720415 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)N1 ZINC000587720416 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)N1 ZINC000587720417 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)N1 ZINC000587720418 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587720470 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587720471 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587720472 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587720473 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720493 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720496 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720497 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)N1 ZINC000587720499 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587720501 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587720502 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587720503 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 ZINC000587720505 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720516 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720519 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587720520 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720521 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587720522 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720523 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587720524 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587720525 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(Cl)c2Br)N1 ZINC000587720527 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587720528 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587720532 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 ZINC000587720534 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587720557 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587720560 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587720563 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)c2F)N1 ZINC000587720566 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587720569 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587720576 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587720580 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587720585 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720586 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720589 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720593 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)N1 ZINC000587720596 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587720611 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587720614 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587720618 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3F)o2)N1 ZINC000587720620 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720720 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720721 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720722 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720723 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720758 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720759 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720761 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720763 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587720795 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587720801 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587720804 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587720806 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720822 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587720823 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720824 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587720825 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720826 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587720827 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(Br)c2)N1 ZINC000587720828 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587720829 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)(F)F)N1 ZINC000587720859 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)N1 ZINC000587720860 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)N1 ZINC000587720861 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)(F)F)N1 ZINC000587720862 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587720895 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587720896 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587720897 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587720898 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)N1 ZINC000587720903 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)N1 ZINC000587720904 JK Annotated Clean CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720905 JK Annotated Anodyne CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720906 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720907 JK Annotated Anodyne CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720908 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720975 JK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720976 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720977 JK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720978 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720987 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720988 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720989 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720990 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587721004 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587721005 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587721006 JK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587721007 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(F)F ZINC000587721023 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(F)F ZINC000587721027 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(F)F ZINC000587721030 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(F)F ZINC000587721032 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587721052 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587721054 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587721056 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587721057 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721070 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587721071 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587721073 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587721074 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587721075 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721080 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721082 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721084 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587721085 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587721096 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587721099 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721100 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587721101 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721102 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721105 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587721109 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587721179 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587721181 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587721184 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OC(F)F)N1 ZINC000587721186 JK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587721250 JK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587721252 JK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587721254 JK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587721255 JK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721271 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587721276 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587721278 JK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721280 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721325 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721326 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721327 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721328 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587721333 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587721334 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587721335 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)nn3C)s2)N1 ZINC000587721336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721342 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721343 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OC(F)(F)F)N1 ZINC000587721344 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587721361 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587721362 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587721363 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587721364 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587721385 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587721386 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587721387 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)N1 ZINC000587721388 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)N1 ZINC000587721401 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)N1 ZINC000587721402 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)N1 ZINC000587721403 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)N1 ZINC000587721404 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587721578 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587721581 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587721583 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587721586 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587721671 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587721673 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587721674 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)cc2Cl)N1 ZINC000587721675 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587721824 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587721825 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587721826 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587721827 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721868 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721869 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721870 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721871 JK Annotated Reactive COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721888 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721889 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721890 JK Annotated Anodyne COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721891 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587721926 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587721927 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587721928 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Cl)c2F)N1 ZINC000587721929 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1F ZINC000587721950 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1F ZINC000587721951 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1F ZINC000587721952 JK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1F ZINC000587721953 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587722054 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587722055 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587722056 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587722057 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587722062 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587722063 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587722064 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(OC(F)F)cc2)N1 ZINC000587722065 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722113 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722115 JK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722118 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722119 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587722150 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587722151 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587722152 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587722153 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587722170 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587722171 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587722172 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587722173 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587722174 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587722175 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587722176 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2c(F)cccc2Cl)N1 ZINC000587722177 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587722190 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587722191 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587722192 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587722193 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722194 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722195 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722196 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722197 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587722257 JK Annotated Clean COC(=O)c1ccc(F)c(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587722259 JK Annotated Clean COC(=O)c1ccc(F)c(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587722260 JK Annotated Clean COC(=O)c1ccc(F)c(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587722262 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587722266 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587722269 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587722270 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587722271 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587722272 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cccc3ccccc23)N1 ZINC000587722273 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587722274 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587722276 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587722314 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587722316 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587722318 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587722319 JK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587722320 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587722321 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587722322 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587722324 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587722326 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587722328 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587722330 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2)N1 ZINC000587722332 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587722338 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587722340 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587722342 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)cc2F)N1 ZINC000587722344 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587722366 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587722368 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722390 JK Annotated Anodyne CCC[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722391 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722392 JK Annotated Anodyne CCC[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722393 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587722422 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587722423 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587722424 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2OC(F)F)N1 ZINC000587722425 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587722458 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587722459 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587722460 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2OC(F)F)N1 ZINC000587722461 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587722510 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587722511 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587722512 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cc(F)cc2F)N1 ZINC000587722513 JK Annotated Reactive C[C@H](Oc1cccc(F)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 ZINC000587722514 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2O[C@H](C)c2ccccc2)N1 ZINC000587722515 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 ZINC000587722516 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2O[C@H](C)c2ccccc2)N1 ZINC000587722517 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2c(F)cccc2F)N1 ZINC000587722522 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 ZINC000587722523 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2c(F)cccc2F)N1 ZINC000587722524 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2c(F)cccc2F)N1 ZINC000587722525 JK Annotated Reactive CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722548 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722549 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722550 JK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722551 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587722576 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587722577 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587722578 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)N1 ZINC000587722579 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587722606 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587722607 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587722608 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Br)ccc2F)N1 ZINC000587722609 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587722610 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587722611 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587722612 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)N1 ZINC000587722613 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587722622 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587722623 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587722624 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2F)(C2CC2)N1 ZINC000587722625 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587722626 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587722627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587722628 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)N1 ZINC000587722629 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587722650 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587722651 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587722652 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)c(F)cc2F)N1 ZINC000587722653 JK Annotated Reactive Cc1cc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587722662 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587722663 JK Annotated Anodyne Cc1cc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587722664 JK Annotated Anodyne Cc1cc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587722666 JK Annotated Anodyne C[C@H](Br)[C@]1(c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722668 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2F)([C@@H](C)Br)N1 ZINC000587722669 JK Annotated Reactive C[C@H](Br)[C@@]1(c2cc(F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722671 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2F)([C@@H](C)Br)N1 ZINC000587722672 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587722675 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587722676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc3ccccc23)(C(F)F)N1 ZINC000587722678 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587722679 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587722682 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCCF)N1 ZINC000587722684 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587722728 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587722730 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587722732 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cc(Br)ccc2F)N1 ZINC000587722735 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722743 JK Annotated Anodyne CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722745 JK Annotated Anodyne CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722748 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587722749 JK Annotated Reactive CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722751 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587722752 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587722754 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(Br)cc2F)N1 ZINC000587722757 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587722775 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587722777 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587722780 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccccc3c2OC(F)F)N1 ZINC000587722782 JK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722835 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722836 JK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722838 JK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722839 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587722875 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587722877 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587722878 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)c(Br)c2)N1 ZINC000587722879 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722928 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722929 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722930 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)cc2Br)N1 ZINC000587722931 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587722948 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587722949 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587722950 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCC(F)(F)CC2)N1 ZINC000587722951 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587722968 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587722969 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587722970 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587722971 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587722984 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587722985 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587723004 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587723005 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587723006 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2Br)N1 ZINC000587723007 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587723086 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587723087 JK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723096 JK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723097 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723098 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723099 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587723104 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587723105 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587723106 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(OCc3ccccc3)cc2F)N1 ZINC000587723107 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 ZINC000587723128 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2O[C@H](C)c2ccccc2)N1 ZINC000587723129 JK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 ZINC000587723130 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2O[C@H](C)c2ccccc2)N1 ZINC000587723131 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587723144 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587723145 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587723146 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Br)cc2F)N1 ZINC000587723147 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723184 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723185 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)N1 ZINC000587723196 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)N1 ZINC000587723197 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)N1 ZINC000587723198 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)N1 ZINC000587723199 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587723248 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587723249 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587723250 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2)N1 ZINC000587723251 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723286 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723287 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723296 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723297 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723298 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723299 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587723316 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587723317 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587723318 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(C(=O)OC(C)(C)C)cc2F)N1 ZINC000587723319 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587723328 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587723329 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587723330 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2Cl)N1 ZINC000587723331 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587723356 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587723357 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587723358 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3c(F)cccc3Cl)c2)N1 ZINC000587723359 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587723376 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587723377 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587723378 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)N1 ZINC000587723379 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723380 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723381 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723382 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723383 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587723458 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587723459 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587723460 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(OC(F)(F)F)c2O)N1 ZINC000587723461 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587723470 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587723471 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587723472 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(OC(F)(F)F)c2)N1 ZINC000587723473 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587723486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587723487 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587723488 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587723489 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587723490 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587723491 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587723492 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587723493 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587723498 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587723499 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587723500 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587723501 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723526 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723527 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723528 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723529 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587723538 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587723539 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587723540 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587723541 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587723542 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587723543 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587723544 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587723545 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587723604 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587723605 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587723606 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1 ZINC000587723607 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587723612 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587723613 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587723614 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(Br)c(F)c2F)N1 ZINC000587723615 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587723620 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587723621 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587723622 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587723623 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723652 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723653 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723654 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(c2c(F)cccc2F)N1 ZINC000587723655 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587723710 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587723711 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587723712 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587723713 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587723714 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587723715 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587723716 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587723718 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587723752 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587723754 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587723756 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587723758 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)(F)F ZINC000587723783 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)(F)F ZINC000587723785 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)(F)F ZINC000587723787 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)(F)F ZINC000587723789 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587723813 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587723818 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587723821 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587723823 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587723849 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587723855 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587723859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587723862 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c(F)c1 ZINC000587723865 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c(F)c1 ZINC000587723868 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c(F)c1 ZINC000587723871 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c(F)c1 ZINC000587723874 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587723913 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587723915 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587723917 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)N1 ZINC000587723919 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587723970 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587723971 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587723972 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587723973 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587723974 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587723975 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587723976 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587723977 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587723984 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587723985 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587723986 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587723987 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724028 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724030 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724031 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724032 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587724079 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587724083 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587724086 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587724087 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587724088 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587724089 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587724091 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(C(F)F)N1 ZINC000587724092 JK Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F)OC ZINC000587724200 JK Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F)OC ZINC000587724201 JK Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F)OC ZINC000587724202 JK Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F)OC ZINC000587724203 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724204 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724205 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724206 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724207 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724220 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724221 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724222 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724223 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)N1 ZINC000587724236 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC[C@H]3CCCCO3)c(F)c2)N1 ZINC000587724237 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC[C@H]3CCCCO3)c(F)c2)N1 ZINC000587724238 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)N1 ZINC000587724239 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587724252 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587724253 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587724254 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587724255 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724256 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724257 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724258 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724259 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587724284 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587724285 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587724286 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587724287 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724288 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724289 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724290 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724291 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724292 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724293 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724294 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724295 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587724304 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587724305 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587724306 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587724307 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587724320 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587724321 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587724322 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587724323 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccc(F)cc1F ZINC000587724324 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccc(F)cc1F ZINC000587724325 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccc(F)cc1F ZINC000587724326 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccc(F)cc1F ZINC000587724327 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724332 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724333 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724334 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724335 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724336 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724337 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724338 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724339 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587724340 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587724341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587724342 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587724343 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724344 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724345 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724346 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724347 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724348 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724349 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724350 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724351 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c(F)c1 ZINC000587724352 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c(F)c1 ZINC000587724353 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c(F)c1 ZINC000587724354 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c(F)c1 ZINC000587724355 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587724360 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587724361 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587724362 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)N1 ZINC000587724363 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724372 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724373 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724374 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587724400 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587724401 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587724402 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccc(F)cc2F)N1 ZINC000587724403 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724404 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724405 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724406 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724407 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724432 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724433 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724434 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724435 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724492 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724493 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724494 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724495 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F ZINC000587724508 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F ZINC000587724509 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F ZINC000587724510 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1F ZINC000587724511 JK Annotated Reactive Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724524 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724525 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724526 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724527 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724532 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724533 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724534 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724535 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724556 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724557 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724558 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724559 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724576 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724577 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724578 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(F)c1 ZINC000587724579 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724596 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724597 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724598 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724599 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724612 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724613 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724614 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(c2ccccc2C(=O)O)N1 ZINC000587724615 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587724616 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587724617 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587724618 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587724619 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587724624 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587724625 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587724626 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587724627 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724644 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724645 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724646 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587724647 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587724648 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587724649 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587724650 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 ZINC000587724651 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587724664 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587724665 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587724666 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587724667 JK Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F)OC ZINC000587724668 JK Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F)OC ZINC000587724669 JK Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F)OC ZINC000587724670 JK Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F)OC ZINC000587724671 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724672 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724673 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724674 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724675 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724692 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724693 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724694 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724695 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587724708 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587724709 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587724710 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587724711 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724712 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724714 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724715 JK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724716 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587724737 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587724738 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587724739 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587724741 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724849 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724851 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724853 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)N1 ZINC000587724855 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587724856 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587724857 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587724858 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587724859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587724879 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587724885 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587724886 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587724888 JK Annotated Mild CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587724890 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587724893 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724894 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2F)([C@@H](C)Br)N1 ZINC000587724895 JK Annotated Reactive CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587724896 JK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724897 JK Annotated Reactive CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587724898 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2F)([C@@H](C)Br)N1 ZINC000587724899 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587724960 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724961 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587724962 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724963 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587724964 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724965 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587724966 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)N1 ZINC000587724967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587724968 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587724970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587724972 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587724974 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724977 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724978 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724979 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)cc3F)o2)N1 ZINC000587724980 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587724984 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724987 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724988 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724989 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587724990 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587724992 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587724994 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587724996 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725020 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725021 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725022 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725023 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccccc1F ZINC000587725028 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccccc1F ZINC000587725029 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccccc1F ZINC000587725030 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccccc1F ZINC000587725031 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1F ZINC000587725036 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1F ZINC000587725037 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1F ZINC000587725038 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1F ZINC000587725039 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587725056 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587725057 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587725058 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587725059 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587725096 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587725097 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587725098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)N1 ZINC000587725099 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587725112 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587725113 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587725114 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2F)N1 ZINC000587725115 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725116 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725117 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725118 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725119 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587725184 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587725185 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587725186 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587725187 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587725204 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587725205 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587725206 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccccc2F)N1 ZINC000587725207 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587725208 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587725209 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587725210 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587725211 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725216 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725217 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725218 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725219 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1F ZINC000587725220 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1F ZINC000587725221 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1F ZINC000587725222 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1F ZINC000587725223 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1F ZINC000587725232 JK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1F ZINC000587725233 JK Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1F ZINC000587725234 JK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1F ZINC000587725235 JK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1F ZINC000587725300 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1F ZINC000587725301 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1F ZINC000587725302 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1F ZINC000587725303 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)N1 ZINC000587725324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC[C@H]3CCCCO3)c(F)c2)N1 ZINC000587725325 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC[C@H]3CCCCO3)c(F)c2)N1 ZINC000587725326 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)N1 ZINC000587725327 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587725332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587725333 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587725334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N1 ZINC000587725335 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587725344 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587725345 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587725346 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587725347 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725360 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725361 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725362 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725363 JK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1F ZINC000587725388 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1F ZINC000587725389 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1F ZINC000587725390 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1F ZINC000587725391 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587725392 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587725393 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587725394 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587725395 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587725434 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587725435 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587725436 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587725437 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725442 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725443 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725444 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725445 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587725460 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587725461 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587725462 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)N1 ZINC000587725463 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587725504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587725505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587725506 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2F)N1 ZINC000587725507 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725524 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725525 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725526 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587725527 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587725532 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587725533 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587725534 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccc(Cl)cc2F)N1 ZINC000587725535 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587725594 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587725595 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587725596 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC#N)s2)(c2ccccc2F)N1 ZINC000587725597 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C(Cc2ccccc2F)(Cc2ccccc2F)N1 ZINC000587725614 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(Cc2ccccc2F)(Cc2ccccc2F)N1 ZINC000587725615 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725628 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725629 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725630 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(F)cc2C(=O)O)N1 ZINC000587725631 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccc(F)cc1F ZINC000587725676 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccc(F)cc1F ZINC000587725677 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccc(F)cc1F ZINC000587725678 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1ccc(F)cc1F ZINC000587725679 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587725680 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587725681 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587725682 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587725683 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725708 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nc(Cl)ncc1F ZINC000587725711 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725712 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725713 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587725714 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587725715 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587725716 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587725717 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC3CCCCC3)c(F)c2)N1 ZINC000587725718 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587725723 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587725724 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587725725 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587725726 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nc(Cl)ncc1F ZINC000587725744 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nc(Cl)ncc1F ZINC000587725745 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nc(Cl)ncc1F ZINC000587725746 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725754 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725756 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725758 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)N1 ZINC000587725760 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587725772 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587725773 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587725774 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587725775 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587725776 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587725777 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587725778 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587725779 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587725784 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587725785 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587725786 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587725787 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725830 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725831 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725832 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Cl)N1 ZINC000587725833 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587725868 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587725869 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587725870 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587725871 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F ZINC000587725876 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F ZINC000587725877 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F ZINC000587725878 JK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1F ZINC000587725879 JK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725936 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725937 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725938 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725939 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725968 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725969 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725970 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725971 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nc(Cl)ncc1F ZINC000587725996 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nc(Cl)ncc1F ZINC000587725997 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nc(Cl)ncc1F ZINC000587725998 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nc(Cl)ncc1F ZINC000587725999 JK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587726000 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587726001 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587726002 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587726003 JK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1F ZINC000587726020 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1F ZINC000587726021 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1F ZINC000587726022 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1F ZINC000587726023 JK Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726053 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726055 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726057 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726060 JK Annotated Bother Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726086 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726087 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726088 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726089 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726106 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726107 JK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726108 JK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726109 JK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726142 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2F)([C@@H](C)Br)N1 ZINC000587726143 JK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726144 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2F)([C@@H](C)Br)N1 ZINC000587726145 JK Annotated Reactive Cc1ccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587726150 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587726151 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587726152 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587726153 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587726154 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587726155 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587726156 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)c(F)c2)N1 ZINC000587726157 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726221 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726225 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726227 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726230 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726284 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726285 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726286 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587726287 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726312 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726313 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726314 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726320 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726321 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726322 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726323 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587726340 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587726341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587726342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587726343 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726344 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726345 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726346 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587726347 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726372 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726373 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726374 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726375 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726384 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726385 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726386 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726387 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587726392 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587726393 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587726394 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Br)c(F)c2)N1 ZINC000587726395 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587726396 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587726397 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587726398 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C(C)(C)Br)N1 ZINC000587726399 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726404 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726405 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726406 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726407 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726434 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726435 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726436 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726437 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587726438 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587726439 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587726440 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587726441 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587726446 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587726447 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587726448 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)cc3F)s2)N1 ZINC000587726449 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccccc1F ZINC000587726460 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccccc1F ZINC000587726461 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccccc1F ZINC000587726462 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1ccccc1F ZINC000587726463 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587726472 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587726473 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587726474 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587726475 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587726542 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587726543 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587726544 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(F)cc3Cl)c2)N1 ZINC000587726545 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccc(F)cc2F)(C(C)(C)C)N1 ZINC000587726558 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccc(F)cc2F)(C(C)(C)C)N1 ZINC000587726559 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccc(F)cc2F)(C(C)(C)C)N1 ZINC000587726560 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccc(F)cc2F)(C(C)(C)C)N1 ZINC000587726561 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587726594 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587726595 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587726596 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587726597 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726598 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726599 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726600 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)c(F)c2)N1 ZINC000587726601 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)cc1 ZINC000587726602 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)cc1 ZINC000587726603 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)cc1 ZINC000587726604 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)cc1 ZINC000587726605 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726610 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726611 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726612 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726613 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587726622 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587726623 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587726624 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 ZINC000587726625 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726642 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726643 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726644 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587726645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587726650 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587726651 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587726652 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587726653 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726666 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726667 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726668 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726671 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587726675 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587726676 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587726677 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(F)c1 ZINC000587726678 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726679 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726680 JK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726682 JK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726684 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726707 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726709 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726712 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726714 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1F ZINC000587726753 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1F ZINC000587726754 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1F ZINC000587726755 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1F ZINC000587726756 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587726757 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587726758 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587726759 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)N1 ZINC000587726760 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)cc1 ZINC000587726769 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)cc1 ZINC000587726770 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)cc1 ZINC000587726771 JK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)cc1 ZINC000587726772 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587726787 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587726789 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587726791 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)N1 ZINC000587726793 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1F ZINC000587726812 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1F ZINC000587726813 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1F ZINC000587726814 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1F ZINC000587726815 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587726836 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587726837 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587726838 JK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587726839 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587726868 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587726869 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587726870 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587726871 JK Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726876 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726877 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726878 JK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726879 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587726945 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587726947 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587726948 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccccc2F)(C(C)(C)C)N1 ZINC000587726950 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587727010 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587727011 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587727012 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587727013 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587727022 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587727023 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587727024 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587727025 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587727034 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587727035 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587727036 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587727037 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727079 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727080 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727081 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727082 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587727083 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587727084 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587727085 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587727087 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587727102 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587727105 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587727107 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587727109 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727190 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727192 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727194 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727197 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727225 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727226 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727346 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727347 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727348 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727349 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727465 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727467 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587727469 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587727472 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587727473 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587727476 JK Annotated Reactive COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587727479 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587727481 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587727483 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587727484 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727519 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727520 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727521 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587727522 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587727584 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587727587 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587727588 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587727589 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587727624 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587727626 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587727628 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587727630 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727649 JK Annotated Clean Cc1ccc([C@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727651 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727653 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587727655 JK Annotated Clean COCCOCCCc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587727675 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587727676 JK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587727678 JK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587727680 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@H](Br)c2ccccc2F)N1 ZINC000587727834 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@H](Br)c2ccccc2F)N1 ZINC000587727841 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](Br)c2ccccc2F)N1 ZINC000587727842 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](Br)c2ccccc2F)N1 ZINC000587727843 JK Annotated Reactive CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587727888 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2ccccc2F)N1 ZINC000587727889 JK Annotated Reactive CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587727890 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2ccccc2F)N1 ZINC000587727891 JK Annotated Reactive CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587727892 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2ccccc2F)N1 ZINC000587727893 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2ccccc2F)N1 ZINC000587727894 JK Annotated Reactive CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587727896 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587727898 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727899 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727902 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587727903 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727904 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1 ZINC000587727906 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587727907 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccccc4F)sc32)N1 ZINC000587727910 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727931 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727932 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727935 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727939 JK Annotated Reactive CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587727952 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587727955 JK Annotated Bother CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587727958 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587727962 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3F)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587727967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587727992 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587727994 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587727996 JK Annotated Bother COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(F)c1 ZINC000587728032 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(F)c1 ZINC000587728035 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(F)c1 ZINC000587728038 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(F)c1 ZINC000587728042 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(F)c1 ZINC000587728120 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(F)c1 ZINC000587728122 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(F)c1 ZINC000587728124 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(F)c1 ZINC000587728125 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587728150 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587728156 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587728158 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587728160 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587728164 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587728165 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587728167 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587728170 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587728237 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587728242 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587728246 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728249 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587728251 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728259 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728262 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728268 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728270 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728287 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728291 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728293 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587728296 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587728302 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587728306 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728310 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587728311 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728314 JK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728319 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728323 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587728335 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587728340 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587728348 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587728354 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587728390 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587728407 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728412 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587728417 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728420 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587728423 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728426 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCSc2ccccn2)(c2ccc(F)cc2)N1 ZINC000587728428 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587728429 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587728440 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)[C@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587728450 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)[C@@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587728456 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587728461 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587728468 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587728471 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587728477 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587728603 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587728609 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587728615 JK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1F ZINC000587728616 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587728619 JK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1F ZINC000587728620 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1F ZINC000587728622 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1F ZINC000587728626 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728628 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728635 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728637 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728640 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728644 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728647 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728649 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc2c1 ZINC000587728652 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587728669 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587728671 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587728672 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587728674 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587728842 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587728844 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587728845 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587728847 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587728849 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587728850 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 ZINC000587728852 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCBr)(c2ccc(F)cc2)N1 ZINC000587728854 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728899 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728910 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728914 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728917 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728942 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728946 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728950 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587728954 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728979 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728984 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728989 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728993 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587728998 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587729006 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587729009 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587729011 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587729026 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587729030 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587729036 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(c2ccccc2O)N1 ZINC000587729041 JK Annotated Clean C[C@H](C(=O)c1ccc(F)cc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729065 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729069 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](C)C(=O)c2ccc(F)cc2)N1 ZINC000587729081 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](C)C(=O)c2ccc(F)cc2)N1 ZINC000587729084 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729086 JK Annotated Anodyne C[C@H](C(=O)c1ccc(F)cc1)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729089 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729094 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729099 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587729106 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587729108 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587729111 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC2OCC(C)(C)CO2)(c2ccccc2F)N1 ZINC000587729125 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1 ZINC000587729147 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1 ZINC000587729149 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729150 JK Annotated Mild COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1 ZINC000587729152 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1 ZINC000587729154 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587729156 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587729163 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587729166 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587729170 JK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729172 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729173 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729175 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587729189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587729190 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587729193 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587729195 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729231 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729232 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729234 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729235 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587729238 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587729259 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587729260 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587729261 JK Annotated Mild Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587729268 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587729273 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587729274 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587729276 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729282 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729283 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729284 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729285 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(I)s2)N1 ZINC000587729342 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(I)s2)N1 ZINC000587729343 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(I)s2)N1 ZINC000587729344 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(I)s2)N1 ZINC000587729345 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587729354 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587729355 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587729356 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587729357 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587729426 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)Cc2ccccc2F)N1 ZINC000587729428 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)Cc2ccccc2F)N1 ZINC000587729430 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)Cc2ccccc2F)N1 ZINC000587729432 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)Cc2ccccc2F)N1 ZINC000587729434 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587729437 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587729441 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587729444 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587729463 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587729468 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587729472 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587729477 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587729500 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587729505 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587729508 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587729511 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1F ZINC000587729552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587729554 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1F ZINC000587729555 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587729557 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1F ZINC000587729558 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587729561 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1F ZINC000587729562 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587729565 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587729576 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587729580 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587729584 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587729587 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587729594 JK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587729599 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587729601 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587729603 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587729604 JK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587729606 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587729607 JK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587729609 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587729611 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587729614 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587729617 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587729620 JK Annotated Clean Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729646 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729650 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729652 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729654 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729675 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729683 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729685 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587729687 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587729756 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587729758 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587729760 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587729761 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587729791 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587729793 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587729795 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587729797 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587729860 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587729862 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587729863 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587729865 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587729866 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587729868 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587729870 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587729871 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587729908 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587729910 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587729911 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587729913 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587729948 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587729949 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587729950 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587729951 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587729968 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587729969 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587729970 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587729971 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587730030 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587730033 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587730036 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(c2ccccc2F)N1 ZINC000587730039 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1F ZINC000587730051 JK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1F ZINC000587730054 JK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1F ZINC000587730056 JK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1F ZINC000587730059 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587730062 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587730064 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587730066 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587730067 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587730073 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587730075 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587730077 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587730079 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587730082 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730087 JK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730089 JK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730091 JK Annotated Mild COc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730093 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587730094 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587730098 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587730102 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730127 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730130 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730132 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730134 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730172 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730173 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730174 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730175 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730177 JK Annotated Clean Cc1ccc([C@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730179 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730180 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730182 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587730186 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587730187 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587730189 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccc2F)N1 ZINC000587730192 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730215 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730216 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730220 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3Cl)cc2)N1 ZINC000587730222 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587730224 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587730225 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587730226 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(F)cc2Cl)N1 ZINC000587730227 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730241 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730244 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587730245 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730246 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587730247 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730248 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587730249 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2Cl)(c2ccccc2)N1 ZINC000587730250 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587730252 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587730259 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587730261 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587730262 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@H](Br)c2ccccc2F)N1 ZINC000587730274 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@H](Br)c2ccccc2F)N1 ZINC000587730277 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587730289 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587730290 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587730291 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587730292 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587730303 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587730306 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587730307 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587730308 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587730309 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587730310 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587730313 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)c3ccccc3n2C)N1 ZINC000587730316 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587730331 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587730332 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587730333 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587730334 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730335 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730336 JK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730337 JK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587730338 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587730340 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587730342 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587730345 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(F)cc1 ZINC000587730348 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587730350 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587730352 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587730354 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587730356 JK Annotated Clean COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1 ZINC000587730446 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1 ZINC000587730447 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1 ZINC000587730449 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1 ZINC000587730451 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587730535 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587730536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587730537 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587730539 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](Br)c2ccccc2F)N1 ZINC000587730655 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](Br)c2ccccc2F)N1 ZINC000587730657 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587730661 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587730663 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587730664 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587730666 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730672 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730674 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2N)(c2ccccc2F)N1 ZINC000587730677 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730681 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730682 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730685 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587730687 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1F ZINC000587730697 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1F ZINC000587730698 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1F ZINC000587730699 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1F ZINC000587730700 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587730717 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587730718 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587730719 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3ccccc3F)ccc3ccccc23)N1 ZINC000587730720 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587730723 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587730724 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587730725 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1F ZINC000587730726 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587730731 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587730732 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587730733 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)Cc2cccc(Cl)c2F)N1 ZINC000587730734 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587730736 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587730738 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587730740 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587730741 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3F)nc3sccn23)N1 ZINC000587730742 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587730743 JK Annotated Clean Cc1ccc(O)c([C@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587730745 JK Annotated Clean Cc1ccc(O)c([C@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587730748 JK Annotated Clean COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(F)c1 ZINC000587730763 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(F)c1 ZINC000587730765 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(F)c1 ZINC000587730767 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(F)c1 ZINC000587730768 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(Cc2ccccc2F)(Cc2ccccc2F)N1 ZINC000587730780 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(Cc2ccccc2F)(Cc2ccccc2F)N1 ZINC000587730782 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730826 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730827 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730828 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730829 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587730830 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587730831 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587730832 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)N1 ZINC000587730833 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587730836 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587730837 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587730838 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587730839 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587730840 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587730842 JK Annotated Clean CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587730935 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587730936 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587730937 JK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587730938 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587730939 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587730940 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587730941 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587730942 JK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587730949 JK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587730950 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587730961 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587730962 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587730963 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587730964 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587730965 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587730966 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587730967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587730968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587731099 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587731100 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587731101 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1cc(F)ccc12 ZINC000587731102 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587731177 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587731179 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587731181 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587731182 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731292 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731295 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587731297 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587731299 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587731300 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587731301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587731302 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587731303 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587731304 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731305 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(F)ccc3C(=O)O)cc2)N1 ZINC000587731306 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731307 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731309 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731310 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587731338 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587731340 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587731343 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587731345 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587731369 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587731371 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587731373 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1F ZINC000587731375 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587731391 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587731393 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587731394 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587731395 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731430 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731433 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731436 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731438 JK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731529 JK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587731531 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587731562 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587731563 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587731564 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587731565 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587731597 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587731599 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587731600 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587731601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587731603 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587731604 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)N1 ZINC000587731605 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CC#N)ccc12 ZINC000587731606 JK Annotated Mild COCOc1cccc([C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587731621 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587731625 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587731628 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587731632 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587731642 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587731644 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587731646 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587731649 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731703 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731707 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731710 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587731714 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587731872 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587731873 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587731874 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587731875 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587732210 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587732211 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587732212 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587732213 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587732214 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587732216 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587732219 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587732221 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587732235 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587732239 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587732240 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587732241 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587732256 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587732257 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587732258 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587732259 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587732278 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587732279 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587732280 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587732281 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732282 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732283 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732284 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732285 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587732286 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587732287 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587732288 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3ncccn23)N1 ZINC000587732289 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732298 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732299 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587732300 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587732302 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732303 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587732304 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(I)cccc23)N1 ZINC000587732306 JK Annotated Anodyne COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732502 JK Annotated Mild COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732510 JK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732513 JK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732516 JK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587732562 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587732564 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587732565 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(F)c1 ZINC000587732567 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587732593 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587732595 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587732597 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(F)cc2Cl)N1 ZINC000587732600 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732771 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732774 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732777 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587732779 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587732852 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587732853 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587732854 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587732855 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732860 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732861 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732862 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732863 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587732868 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587732869 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587732870 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587732871 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587732876 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587732877 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587732878 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587732879 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587732904 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587732905 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587732906 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587732907 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732918 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732919 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732920 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587732921 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587732954 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587732955 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587732956 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)N1 ZINC000587732957 JK Annotated Clean COC(=O)CCCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732966 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732967 JK Annotated Anodyne COC(=O)CCCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732968 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732969 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587732974 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587732975 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587732976 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587732977 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(F)c1 ZINC000587732982 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(F)c1 ZINC000587732984 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(F)c1 ZINC000587732986 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(F)c1 ZINC000587732988 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732997 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732998 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733000 JK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733001 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587733180 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587733187 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587733189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587733190 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587733191 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587733193 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587733194 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587733195 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587733220 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587733228 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587733232 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587733236 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587733258 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733261 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587733262 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733264 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587733265 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733267 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587733268 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733271 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587733332 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587733336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587733339 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587733342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccc(F)c2)N1 ZINC000587733345 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587733347 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587733351 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587733355 JK Annotated Anodyne C[C@H](C(=O)c1ccc(F)cc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733374 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](C)C(=O)c2ccc(F)cc2)N1 ZINC000587733376 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](C)C(=O)c2ccc(F)cc2)N1 ZINC000587733379 JK Annotated Anodyne C[C@H](C(=O)c1ccc(F)cc1)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733382 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733455 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733458 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733460 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733461 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587733462 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587733463 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587733464 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587733465 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587733494 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587733497 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587733498 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)N1 ZINC000587733499 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587733558 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587733559 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587733560 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC#N)cc12 ZINC000587733561 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587733618 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587733621 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587733623 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587733625 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587733634 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587733636 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587733638 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)N1 ZINC000587733641 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587733729 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587733745 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587733748 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587733751 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733763 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733766 JK Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733769 JK Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733770 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587733778 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587733788 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587733791 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587733794 JK Annotated Reactive Cc1ccc(O)c([C@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733854 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587733857 JK Annotated Anodyne Cc1ccc(O)c([C@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733860 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587733863 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733866 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587733869 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733870 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587733872 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1 ZINC000587733875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587733877 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1 ZINC000587733881 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587733883 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1 ZINC000587733884 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587733887 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1 ZINC000587733888 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587733890 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733895 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733910 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733912 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733914 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587733916 JK Annotated Bother Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733940 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733944 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733948 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587733949 JK Annotated Anodyne COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587733956 JK Annotated Mild COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587733958 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587733959 JK Annotated Anodyne COc1cccc([C@]2([C@H](CC#N)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587733960 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587733962 JK Annotated Anodyne COc1cccc([C@]2([C@H](CC#N)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587733963 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587733964 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587733967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587733973 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587733978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587733983 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587733988 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587733991 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587733993 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587733995 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587734050 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587734055 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587734057 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587734059 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734060 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734065 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734066 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734067 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587734097 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587734098 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587734099 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(Br)c2)N1 ZINC000587734100 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587734112 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587734113 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587734114 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587734115 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587734204 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587734206 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587734208 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587734210 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3ccccc3c2I)N1 ZINC000587734216 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3ccccc3c2I)N1 ZINC000587734218 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3ccccc3c2I)N1 ZINC000587734220 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3ccccc3c2I)N1 ZINC000587734222 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587734229 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587734231 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587734233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587734235 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587734272 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587734273 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587734274 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587734275 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587734347 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587734350 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587734352 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587734355 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587734382 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587734383 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587734384 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(N(C)C)cc2)(c2ccc(F)cc2)N1 ZINC000587734385 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587734457 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587734459 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587734461 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587734463 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587734497 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587734498 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587734499 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2C(=O)O)N1 ZINC000587734500 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587734505 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587734511 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587734514 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587734517 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587734528 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587734530 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587734533 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COCc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587734536 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc12 ZINC000587734571 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc12 ZINC000587734574 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc12 ZINC000587734576 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)nc12 ZINC000587734578 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587734585 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587734586 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587734587 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587734590 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587734760 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587734762 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587734764 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2cccc(F)c2)N1 ZINC000587734765 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734772 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734773 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734775 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734777 JK Annotated Reactive COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734779 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734781 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734783 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587734784 JK Annotated Mild COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734785 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587734786 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734787 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734788 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734789 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Cl)N1 ZINC000587734790 JK Annotated Reactive COC(=O)CCCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734799 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734800 JK Annotated Anodyne COC(=O)CCCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734801 JK Annotated Anodyne COC(=O)CCCC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734802 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587734901 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587734902 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587734903 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587734904 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587734939 JK Annotated Mild CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587734940 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587734941 JK Annotated Mild CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587734942 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587734944 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1 ZINC000587734947 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587735005 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587735011 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587735012 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587735013 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587735014 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587735021 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587735022 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587735023 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587735026 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587735029 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587735032 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587735034 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587735036 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587735037 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587735038 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)N1 ZINC000587735039 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735054 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735061 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735064 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735067 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735078 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735080 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735082 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735084 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587735086 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587735088 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587735090 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587735093 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735108 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735109 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735110 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587735115 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587735116 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587735117 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587735118 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587735119 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587735120 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587735121 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587735122 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587735151 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587735152 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587735153 JK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587735154 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587735159 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587735160 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587735161 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)N1 ZINC000587735162 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587735223 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587735224 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587735225 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2cc(F)cc(C(=O)O)c2)N1 ZINC000587735226 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587735235 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587735236 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587735237 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587735238 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(I)s2)N1 ZINC000587735245 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(I)s2)N1 ZINC000587735246 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(I)s2)N1 ZINC000587735247 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(I)s2)N1 ZINC000587735248 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C#N ZINC000587735249 JK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C#N ZINC000587735252 JK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C#N ZINC000587735254 JK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C#N ZINC000587735256 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587735336 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587735339 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587735341 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3C#N)c2)N1 ZINC000587735344 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccccc12 ZINC000587735345 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccccc12 ZINC000587735349 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccccc12 ZINC000587735352 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccccc12 ZINC000587735355 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587735369 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587735402 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587735403 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587735405 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587735428 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587735431 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587735434 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587735436 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc12 ZINC000587735471 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc12 ZINC000587735473 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc12 ZINC000587735475 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)nc12 ZINC000587735476 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587735477 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587735479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587735481 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCOc3ccc(F)cc3)c3ccccc23)N1 ZINC000587735483 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735507 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735508 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735509 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735510 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587735515 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587735516 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587735517 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587735518 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587735519 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587735520 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587735521 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587735522 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1 ZINC000587735527 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1 ZINC000587735528 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1 ZINC000587735529 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1 ZINC000587735530 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587735543 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587735544 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587735545 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587735546 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735555 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735556 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735557 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735558 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735579 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735580 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735581 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735582 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735587 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735588 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735589 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735590 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587735595 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587735596 JK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587735597 JK Annotated Anodyne CC1CCN(CCC[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587735598 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587735599 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587735600 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587735601 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(F)c1 ZINC000587735602 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735615 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735616 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735617 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 ZINC000587735618 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587735643 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587735644 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587735645 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cccc(I)c23)N1 ZINC000587735646 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3ccccc3c2I)N1 ZINC000587735675 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3ccccc3c2I)N1 ZINC000587735676 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3ccccc3c2I)N1 ZINC000587735677 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3ccccc3c2I)N1 ZINC000587735678 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccccc12 ZINC000587735713 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccccc12 ZINC000587735714 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccccc12 ZINC000587735715 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccccc12 ZINC000587735716 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735808 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735810 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735812 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735814 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587735816 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587735817 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587735818 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)N1 ZINC000587735819 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735828 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735829 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587735831 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735832 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735834 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735836 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)N1 ZINC000587735837 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587735853 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587735854 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587735855 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587735856 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587735858 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587735859 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587735860 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587735861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735862 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735864 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735866 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3ccccn23)N1 ZINC000587735868 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587735870 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587735872 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587735874 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 ZINC000587735876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587735887 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587735889 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587735891 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 ZINC000587735893 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587735914 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587735916 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587735918 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587735921 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587735984 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587735986 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587735987 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 ZINC000587735988 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587735997 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587735999 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587736025 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587736027 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587736029 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587736031 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587736033 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2cccc(Br)c2)N1 ZINC000587736048 JK Annotated Anodyne COc1cc(-c2ccc(C#N)cc2)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736094 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736096 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736098 JK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736100 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587736123 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587736125 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587736127 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736128 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(C#N)c3)c2)N1 ZINC000587736129 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736130 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736132 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCOc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736134 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736136 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736138 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736139 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736140 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587736169 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587736170 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587736171 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)N1 ZINC000587736172 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C#N ZINC000587736224 JK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C#N ZINC000587736226 JK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C#N ZINC000587736227 JK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C#N ZINC000587736229 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736275 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736276 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736277 JK Annotated Mild Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736278 JK Annotated Mild COc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736302 JK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736303 JK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736304 JK Annotated Mild COc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736305 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736370 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736373 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736376 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736377 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587736387 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587736389 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587736392 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587736394 JK Annotated Reactive COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736402 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736404 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587736405 JK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736406 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587736408 JK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587736409 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587736412 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc32)N1 ZINC000587736416 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587736446 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587736448 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587736451 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(F)c3)c3ccccc23)N1 ZINC000587736453 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587736511 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587736514 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587736516 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587736520 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587736532 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587736535 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2Cl)N1 ZINC000587736536 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587736538 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(N)cc2)N1 ZINC000587736540 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2Cl)N1 ZINC000587736547 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2Cl)N1 ZINC000587736550 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2Cl)N1 ZINC000587736553 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587736560 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)[C@@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587736562 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)[C@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587736564 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@@H]2CC(=O)c2ccc(F)cc2)N1 ZINC000587736566 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587736604 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587736607 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587736609 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(F)cc2)(/C=C/c2ccc(F)cc2)N1 ZINC000587736612 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587736614 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587736616 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587736617 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 ZINC000587736619 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587736624 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587736625 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587736626 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)N1 ZINC000587736627 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587736665 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587736668 JK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587736670 JK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587736672 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736690 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736692 JK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736694 JK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736696 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736697 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736702 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736703 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736704 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587736705 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587736706 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587736709 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1 ZINC000587736712 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587736714 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587736717 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587736719 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)N1 ZINC000587736722 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587736729 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587736732 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587736735 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(Cl)c(F)cc12 ZINC000587736739 JK Annotated Anodyne Cc1cc(I)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587736759 JK Annotated Anodyne Cc1cc(I)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587736766 JK Annotated Anodyne Cc1cc(I)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587736768 JK Annotated Anodyne Cc1cc(I)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587736771 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587736813 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587736815 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587736817 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 ZINC000587736819 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587736820 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587736822 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587736824 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2Cl)N1 ZINC000587736825 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587736828 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587736829 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587736830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3sccn23)N1 ZINC000587736832 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587736838 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587736839 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587736841 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587736842 JK Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587736909 JK Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587736915 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587736918 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587736920 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587736921 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587736923 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587736924 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587736926 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2C(=O)CC(C)(C)CC2=O)(c2ccc(F)cc2)N1 ZINC000587736927 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587736929 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736990 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736991 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736992 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587736993 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587736994 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587736995 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587736996 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(F)cc3)n2)cc1 ZINC000587736997 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587737002 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587737003 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587737004 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(F)cc2)N1 ZINC000587737005 JK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737010 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737011 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737012 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737013 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737014 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737016 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737018 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737020 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737031 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737032 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737034 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737036 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587737038 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1 ZINC000587737039 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587737040 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1 ZINC000587737041 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587737042 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1 ZINC000587737043 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587737044 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1 ZINC000587737045 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587737046 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587737048 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587737051 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587737053 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737062 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737066 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737069 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1ccc(F)cc12 ZINC000587737071 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587737073 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587737075 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587737077 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2O)(c2ccc(F)cc2)N1 ZINC000587737079 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587737080 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587737082 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587737084 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(N(C)C)n(-c3ccc(F)cc3)c2Cl)N1 ZINC000587737086 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587737125 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587737129 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587737131 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)N1 ZINC000587737133 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587737145 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587737147 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587737149 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3ccc(F)cc3)s2)N1 ZINC000587737152 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587737165 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587737168 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587737171 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587737173 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587737294 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587737296 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587737297 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nncs2)(c2ccc(F)cc2)N1 ZINC000587737299 JK Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587737301 JK Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587737302 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737304 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737306 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737308 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737310 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587737322 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587737324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587737327 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H]2CC[C@@H](C(=O)O)CC2)N1 ZINC000587737329 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587737330 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587737332 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587737334 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587737336 JK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737395 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737399 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737403 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737406 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587737407 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587737410 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587737412 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1 ZINC000587737415 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587737428 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737430 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587737431 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737433 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587737434 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737436 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccc(F)cc3)n(C)c3ccccc23)N1 ZINC000587737437 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1 ZINC000587737439 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587737449 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587737455 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587737458 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587737461 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587737489 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587737493 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587737496 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587737498 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587737505 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587737506 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587737508 JK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587737510 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587737512 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587737515 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587737532 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587737533 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587737534 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587737535 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587737566 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587737567 JK Annotated Bother Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737580 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737581 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737582 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737583 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587737584 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587737585 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587737586 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)N1 ZINC000587737587 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737608 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737609 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737610 JK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737611 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737620 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737621 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737622 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737623 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587737625 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587737627 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587737629 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000587737630 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587737631 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587737632 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587737633 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587737634 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587737647 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587737650 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587737652 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)N1 ZINC000587737655 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1 ZINC000587737663 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1 ZINC000587737664 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1 ZINC000587737665 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1 ZINC000587737666 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587737668 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587737670 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(I)cc2)N1 ZINC000587737672 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587737673 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(Cl)ccc2N)N1 ZINC000587737674 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587737675 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587737676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587737677 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)N1 ZINC000587737678 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(I)cc2)N1 ZINC000587737680 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(I)cc2)N1 ZINC000587737682 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(I)cc2)N1 ZINC000587737683 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(I)cc2F)N1 ZINC000587737716 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(I)cc2F)N1 ZINC000587737717 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(I)cc2F)N1 ZINC000587737718 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(I)cc2F)N1 ZINC000587737719 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(I)cc2)N1 ZINC000587737728 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(I)cc2)N1 ZINC000587737729 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(I)cc2)N1 ZINC000587737730 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(I)cc2)N1 ZINC000587737731 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587737764 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587737765 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737802 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737803 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737804 JK Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737805 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587737806 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587737807 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2Cl)N1 ZINC000587737860 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2Cl)N1 ZINC000587737861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2Cl)N1 ZINC000587737862 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2Cl)N1 ZINC000587737863 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(I)c2)N1 ZINC000587737890 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(I)c2)N1 ZINC000587737891 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(I)c2)N1 ZINC000587737892 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(I)c2)N1 ZINC000587737893 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587737970 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587737971 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587737972 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587737973 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCOc2cccc(I)c2)N1 ZINC000587738154 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCOc2cccc(I)c2)N1 ZINC000587738155 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCOc2cccc(I)c2)N1 ZINC000587738156 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCOc2cccc(I)c2)N1 ZINC000587738157 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587738162 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587738163 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587738164 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587738165 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(I)cc2F)N1 ZINC000587738190 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(I)cc2F)N1 ZINC000587738191 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(I)cc2F)N1 ZINC000587738192 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(I)cc2F)N1 ZINC000587738193 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)c(F)c2F)N1 ZINC000587738304 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)c(F)c2F)N1 ZINC000587738305 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)c(F)c2F)N1 ZINC000587738306 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)c(F)c2F)N1 ZINC000587738307 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)c(F)c2F)N1 ZINC000587738340 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)c(F)c2F)N1 ZINC000587738341 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)c(F)c2F)N1 ZINC000587738342 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)c(F)c2F)N1 ZINC000587738343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(I)cc2)N1 ZINC000587738348 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(I)cc2)N1 ZINC000587738349 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(I)cc2)N1 ZINC000587738350 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(I)cc2)N1 ZINC000587738351 JK Annotated Reactive CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738448 JK Annotated Clean CCCCN(CCCC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738450 JK Annotated Clean CCCCN(CCCC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738451 JK Annotated Clean CCCCN(CCCC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587738452 JK Annotated Clean Cc1cccc(I)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738645 JK Annotated Anodyne Cc1cccc(I)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738648 JK Annotated Anodyne Cc1cccc(I)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738649 JK Annotated Anodyne Cc1cccc(I)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738650 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(I)c2)N1 ZINC000587738820 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(I)c2)N1 ZINC000587738821 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(I)c2)N1 ZINC000587738822 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(I)c2)N1 ZINC000587738823 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587738832 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587738833 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587738834 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(I)c2O)N1 ZINC000587738835 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587738836 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587738837 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587738838 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587738839 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(I)c2F)N1 ZINC000587738850 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(I)c2F)N1 ZINC000587738852 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(I)c2F)N1 ZINC000587738853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(I)c2F)N1 ZINC000587738854 JK Annotated Anodyne Cc1cc(I)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587738871 JK Annotated Anodyne Cc1cc(I)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587738872 JK Annotated Anodyne Cc1cc(I)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587738873 JK Annotated Anodyne Cc1cc(I)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587738874 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2F)N1 ZINC000587738905 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2F)N1 ZINC000587738906 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2F)N1 ZINC000587738907 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2F)N1 ZINC000587738908 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587738964 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587738965 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587738966 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587738967 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2F)N1 ZINC000587739030 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2F)N1 ZINC000587739031 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2F)N1 ZINC000587739032 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2F)N1 ZINC000587739033 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587739096 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587739097 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587739100 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cc(F)cc23)N1 ZINC000587739102 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)N(C)Cc2ccccc2)N1 ZINC000587739120 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739121 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)N(C)Cc2ccccc2)N1 ZINC000587739122 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739123 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2I)N1 ZINC000587739295 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2I)N1 ZINC000587739296 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2I)N1 ZINC000587739297 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2I)N1 ZINC000587739299 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739328 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739336 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739337 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739339 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587739367 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587739372 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587739373 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587739374 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587739470 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587739471 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587739472 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587739473 JK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739474 JK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739475 JK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739476 JK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587739477 JK Annotated Clean COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C(C)C)C(C)C ZINC000587739502 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C(C)C)C(C)C ZINC000587739503 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C(C)C)C(C)C ZINC000587739504 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C(C)C)C(C)C ZINC000587739505 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587739546 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587739549 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587739551 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587739552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587739572 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587739574 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587739575 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587739576 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587739702 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587739704 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587739706 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(I)c2O)N1 ZINC000587739708 JK Annotated Clean CCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587739873 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587739876 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587739878 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587739880 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587740038 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587740043 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587740044 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587740045 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587740094 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587740102 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587740103 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587740105 JK Annotated Anodyne Cc1cccc(I)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740119 JK Annotated Anodyne Cc1cccc(I)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740120 JK Annotated Anodyne Cc1cccc(I)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740122 JK Annotated Anodyne Cc1cccc(I)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740123 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCOc2cccc(I)c2)N1 ZINC000587740161 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCOc2cccc(I)c2)N1 ZINC000587740162 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCOc2cccc(I)c2)N1 ZINC000587740163 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCOc2cccc(I)c2)N1 ZINC000587740164 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587740165 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587740166 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587740167 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587740168 JK Annotated Reactive C=CCN(CC=C)Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587740293 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587740300 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587740301 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587740303 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587740416 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587740417 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587740418 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587740419 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587740428 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587740432 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587740434 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587740435 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587740467 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587740468 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587740469 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587740470 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587740493 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587740494 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587740495 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(F)cc(Br)cc32)N1 ZINC000587740496 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(I)c2F)N1 ZINC000587740497 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(I)c2F)N1 ZINC000587740498 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(I)c2F)N1 ZINC000587740499 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(I)c2F)N1 ZINC000587740500 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(I)cc2)N1 ZINC000587740529 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(I)cc2)N1 ZINC000587740530 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(I)cc2)N1 ZINC000587740531 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(I)cc2)N1 ZINC000587740532 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740717 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740720 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740721 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740724 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587740751 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587740758 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587740759 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587740760 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740769 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740770 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740771 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740772 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740773 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740774 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740776 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587740777 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587740925 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587740926 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587740927 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(F)ccc(F)c12 ZINC000587740928 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2I)N1 ZINC000587740977 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2I)N1 ZINC000587740978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2I)N1 ZINC000587740979 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2I)N1 ZINC000587740980 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741058 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741064 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741067 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741069 JK Annotated Anodyne CNc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587741084 JK Annotated Anodyne CNc1cccc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587741086 JK Annotated Anodyne CNc1cccc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587741088 JK Annotated Anodyne CNc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587741090 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587741113 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587741115 JK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587741116 JK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587741118 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741241 JK Annotated Anodyne CNc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587741242 JK Annotated Anodyne CNc1cccc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587741243 JK Annotated Anodyne CNc1cccc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587741245 JK Annotated Anodyne CNc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587741248 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741250 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741252 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741254 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741267 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741269 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741271 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)N1 ZINC000587741273 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741334 JK Annotated Clean CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741335 JK Annotated Anodyne CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741336 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741341 JK Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741344 JK Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741347 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587741390 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587741391 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587741394 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)N1 ZINC000587741396 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741451 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741454 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741457 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(c2ccccc2)N1 ZINC000587741458 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587741504 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587741507 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587741508 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587741510 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587741527 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587741532 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587741533 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587741534 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741535 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741536 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741537 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741540 JK Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587741555 JK Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587741558 JK Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741570 JK Annotated Clean CCN(Cc1ccccc1)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741574 JK Annotated Clean CCN(Cc1ccccc1)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741579 JK Annotated Clean CCN(Cc1ccccc1)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741582 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587741754 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587741757 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587741760 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587741764 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587741765 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587741767 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587741771 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587741773 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587741833 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587741835 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587741836 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)N1 ZINC000587741839 JK Annotated Anodyne CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741869 JK Annotated Anodyne CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741870 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587741893 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587741894 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587741896 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587741898 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741909 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741912 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741913 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)Oc2ccccc2)N1 ZINC000587741914 JK Annotated Anodyne C=C(C)[C@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741915 JK Annotated Mild C=C(C)[C@@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741917 JK Annotated Mild C=C(C)[C@@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742036 JK Annotated Mild C=C(C)[C@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742038 JK Annotated Mild C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587742055 JK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587742063 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587742065 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587742066 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587742097 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587742099 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587742102 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587742105 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587742258 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587742260 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587742262 JK Annotated Anodyne CCN(CC)c1ccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587742263 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587742299 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587742300 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587742301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587742302 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742354 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742355 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742356 JK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742358 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742367 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742369 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742371 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742373 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CNC(=O)OCc3ccccc3)CC2)N1 ZINC000587742455 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CNC(=O)OCc3ccccc3)CC2)N1 ZINC000587742457 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587742551 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587742552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587742553 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587742554 JK Annotated Anodyne CCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742574 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742576 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742578 JK Annotated Mild CCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742579 JK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C#N)cc1 ZINC000587742685 JK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C#N)cc1 ZINC000587742687 JK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C#N)cc1 ZINC000587742689 JK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C#N)cc1 ZINC000587742691 JK Annotated Mild Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742704 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742705 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742706 JK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742707 JK Annotated Anodyne C=CCN(CC=C)Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587742751 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587742753 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587742754 JK Annotated Mild C=CCN(CC=C)Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587742755 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OCc3ccccc3)CC2)N1 ZINC000587742773 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OCc3ccccc3)CC2)N1 ZINC000587742775 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742807 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742808 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742809 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742810 JK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C#N)cc1 ZINC000587742832 JK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C#N)cc1 ZINC000587742833 JK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C#N)cc1 ZINC000587742834 JK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C#N)cc1 ZINC000587742835 JK Annotated Mild CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742876 JK Annotated Clean CCCCN(CCCC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742877 JK Annotated Clean CCCCN(CCCC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742878 JK Annotated Clean CCCCN(CCCC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742879 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743001 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743003 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743005 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743007 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587743059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587743060 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587743061 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587743062 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](NC(=O)OCc3ccccc3)C2)N1 ZINC000587743073 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](NC(=O)OCc3ccccc3)C2)N1 ZINC000587743074 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](NC(=O)OCc3ccccc3)C2)N1 ZINC000587743075 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](NC(=O)OCc3ccccc3)C2)N1 ZINC000587743076 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587743085 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587743086 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587743087 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(NC(=O)OC(C)(C)C)ccc32)N1 ZINC000587743088 JK Annotated Anodyne C/C(=C/[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)Nc1ccccc1 ZINC000587743089 JK Annotated Anodyne C/C(=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)Nc1ccccc1 ZINC000587743090 JK Annotated Anodyne C/C(=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)Nc1ccccc1 ZINC000587743091 JK Annotated Anodyne C/C(=C\[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)Nc1ccccc1 ZINC000587743092 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743093 JK Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743094 JK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743103 JK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743104 JK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743105 JK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743106 JK Annotated Clean COc1ccc(C=Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743159 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743160 JK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743161 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743162 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587743197 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587743198 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587743199 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587743200 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743216 JK Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743218 JK Annotated Clean C=C(C)[C@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743253 JK Annotated Mild C=C(C)[C@@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743256 JK Annotated Mild C=C(C)[C@@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743259 JK Annotated Mild C=C(C)[C@]1(c2ccccc2NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743261 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587743297 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587743300 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587743302 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587743305 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587743326 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587743329 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587743332 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587743334 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] ZINC000587743335 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] ZINC000587743338 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] ZINC000587743339 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] ZINC000587743341 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743350 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743352 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743355 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c3oc(N)nc3c2)N1 ZINC000587743356 JK Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743383 JK Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743388 JK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587743424 JK Annotated Bother COc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587743428 JK Annotated Bother COc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587743431 JK Annotated Bother COc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587743433 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587743453 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587743459 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587743463 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587743464 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743516 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743527 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743528 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743529 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587743690 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587743702 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587743704 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587743708 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587743767 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587743770 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587743772 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C(c2ccccc2)c2ccccc2)N1 ZINC000587743774 JK Annotated Anodyne COc1ccc(C=Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587743776 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587743778 JK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587743781 JK Annotated Mild COc1ccc(C=Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587743785 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587743819 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)N(C)Cc2ccccc2)N1 ZINC000587743830 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743832 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)N(C)Cc2ccccc2)N1 ZINC000587743834 JK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743835 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587743842 JK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587743843 JK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587743846 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587743847 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587743849 JK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587743851 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587743853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587743983 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587743984 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587743985 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587743986 JK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C(C)C)C(C)C ZINC000587744051 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C(C)C)C(C)C ZINC000587744054 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C(C)C)C(C)C ZINC000587744056 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C(C)C)C(C)C ZINC000587744058 JK Annotated Anodyne CCN(Cc1ccccc1)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744103 JK Annotated Clean CCN(Cc1ccccc1)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744104 JK Annotated Clean CCN(Cc1ccccc1)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744107 JK Annotated Clean CCN(Cc1ccccc1)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744109 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587744123 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587744127 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587744131 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587744133 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587744165 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587744168 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587744170 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NC(=O)OCc2ccccc2)N1 ZINC000587744172 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587744273 JK Annotated Bother COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587744276 JK Annotated Bother COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587744278 JK Annotated Bother COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587744280 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587744283 JK Annotated Bother Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744287 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587744288 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587744289 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587744290 JK Annotated Bother Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744292 JK Annotated Clean Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744293 JK Annotated Clean Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744294 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587744315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587744319 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587744323 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]2(C)C3(C)C)N1 ZINC000587744327 JK Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744332 JK Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744336 JK Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744338 JK Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744341 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587744344 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587744346 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587744348 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3nccc(NC(=O)C(C)(C)C)c3o2)N1 ZINC000587744350 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CNC(=O)OCc3ccccc3)cc2)N1 ZINC000587744490 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CNC(=O)OCc3ccccc3)cc2)N1 ZINC000587744491 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CNC(=O)OCc3ccccc3)cc2)N1 ZINC000587744492 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CNC(=O)OCc3ccccc3)cc2)N1 ZINC000587744493 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)Nc1ccccc1 ZINC000587744610 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)Nc1ccccc1 ZINC000587744611 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)Nc1ccccc1 ZINC000587744612 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)Nc1ccccc1 ZINC000587744613 JK Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744728 JK Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744730 JK Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744735 JK Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744740 JK Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)Nc1ccccc1 ZINC000587744745 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)Nc1ccccc1 ZINC000587744747 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)Nc1ccccc1 ZINC000587744749 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)Nc1ccccc1 ZINC000587744750 JK Annotated Anodyne CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744791 JK Annotated Bother CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744794 JK Annotated Bother CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744796 JK Annotated Bother CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744798 JK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587744842 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587744843 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587744844 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587744845 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587744983 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587744984 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587744985 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)(c2oc3ccccc3c2N)N1 ZINC000587744986 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744995 JK Annotated Clean Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744996 JK Annotated Clean Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744997 JK Annotated Clean Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744998 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587745115 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587745117 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587745119 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)Nc3ccccc3)cc2)N1 ZINC000587745121 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745235 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745237 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745238 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745240 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587745255 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587745256 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587745257 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587745258 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587745270 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587745272 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587745273 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587745275 JK Annotated Bother COc1cccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)c1N ZINC000587745332 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)c1N ZINC000587745333 JK Annotated Anodyne COc1cccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)c1N ZINC000587745334 JK Annotated Anodyne COc1cccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)c1N ZINC000587745335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745415 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745418 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587745419 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745420 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587745422 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745423 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745424 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587745426 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745427 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745428 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587745430 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)N1 ZINC000587745431 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745471 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745475 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745478 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745480 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)c3cccnc3)c2)N1 ZINC000587745524 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)c3cccnc3)c2)N1 ZINC000587745528 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)c3cccnc3)c2)N1 ZINC000587745532 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)c3cccnc3)c2)N1 ZINC000587745536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587745548 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587745564 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587745568 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587745572 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745588 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745593 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745597 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587745601 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745617 JK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587745634 JK Annotated Bother COc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587745637 JK Annotated Bother COc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587745640 JK Annotated Bother COc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587745642 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745645 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745648 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745649 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587745658 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587745661 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587745665 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587745669 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] ZINC000587745911 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] ZINC000587745916 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] ZINC000587745922 JK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] ZINC000587745925 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745974 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745975 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745976 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(NC(=O)OC(C)(C)C)ccc3o2)N1 ZINC000587745977 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745998 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745999 JK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587746000 JK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587746001 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587746002 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587746003 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587746004 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)Oc3ccccc3)cc2)N1 ZINC000587746005 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746050 JK Annotated Bother COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746051 JK Annotated Bother COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746052 JK Annotated Bother COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746053 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] ZINC000587746090 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] ZINC000587746093 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] ZINC000587746095 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] ZINC000587746097 JK Annotated Bother C/C(=C/[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)Nc1ccccc1 ZINC000587746253 JK Annotated Anodyne C/C(=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)Nc1ccccc1 ZINC000587746254 JK Annotated Anodyne C/C(=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)Nc1ccccc1 ZINC000587746255 JK Annotated Anodyne C/C(=C\[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)Nc1ccccc1 ZINC000587746256 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587746264 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587746265 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587746266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587746267 JK Annotated Anodyne COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746294 JK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746295 JK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746296 JK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746297 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587746316 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587746324 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587746327 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587746329 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587746367 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587746370 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587746371 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587746373 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587746401 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587746402 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587746404 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587746407 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587746700 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587746701 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587746702 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587746703 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587746752 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587746753 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587746754 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587746755 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587746813 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587746816 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587746818 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2cc3ccccc3o2)N1 ZINC000587746821 JK Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587747030 JK Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587747032 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587747033 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587747035 JK Annotated Anodyne CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747197 JK Annotated Bother CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747198 JK Annotated Bother CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747199 JK Annotated Bother CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747200 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587747209 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587747210 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587747211 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 ZINC000587747212 JK Annotated Bother COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747337 JK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747338 JK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747340 JK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747342 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747372 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747375 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747377 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747378 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587747475 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587747476 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587747477 JK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587747478 JK Annotated Clean COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587747480 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587747482 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587747483 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587747484 JK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747485 JK Annotated Bother Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747486 JK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747487 JK Annotated Bother Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747488 JK Annotated Bother COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747586 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747587 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747588 JK Annotated Bother COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587747589 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587747602 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587747603 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587747604 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 ZINC000587747605 JK Annotated Bother COc1cccc([C@@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587747676 JK Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587747678 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587747680 JK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587747682 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587747684 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587747687 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587747689 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587747691 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587747719 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587747722 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587747724 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587747726 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587747790 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587747791 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587747792 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C ZINC000587747793 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587747828 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587747830 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587747832 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587747835 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747853 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747855 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747858 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747860 JK Annotated Bother COc1ccc([C@]2(c3ccc(N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747964 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747965 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747966 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587747967 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587747978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587747979 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587747980 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(N)ccc32)N1 ZINC000587747981 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587747994 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587747995 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587747996 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587747997 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587748014 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587748015 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587748016 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587748017 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748060 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748062 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748064 JK Annotated Bother COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748067 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587748068 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587748070 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587748071 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(N)cc32)N1 ZINC000587748072 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587748150 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587748151 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587748152 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 ZINC000587748153 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] ZINC000587748202 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] ZINC000587748203 JK Annotated Bother Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] ZINC000587748204 JK Annotated Bother Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] ZINC000587748205 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587748234 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587748237 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587748239 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 ZINC000587748241 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748271 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748273 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748275 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748278 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748301 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748303 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748305 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587748308 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748337 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748339 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748341 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748343 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748447 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748448 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748449 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748450 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587748451 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587748452 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587748453 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587748454 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587748582 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587748583 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587748584 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587748585 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587748610 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587748611 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587748612 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587748613 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587748618 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587748619 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587748626 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587748627 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587748628 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587748629 JK Annotated Bother Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587748642 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587748643 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587748644 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587748645 JK Annotated Clean COc1ccc([C@]2(c3cccc(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587748810 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587748812 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587748814 JK Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587748816 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587748878 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587748879 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587748880 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587748881 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587748910 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587748911 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587748912 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587748913 JK Annotated Bother CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748964 JK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748965 JK Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748966 JK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748967 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587749006 JK Annotated Anodyne Cc1ccc([C@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587749007 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587749008 JK Annotated Anodyne Cc1ccc([C@@]2(c3oc4ccccc4c3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587749009 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587749124 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587749125 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587749127 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587749128 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749153 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749155 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749156 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749158 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587749175 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587749176 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587749178 JK Annotated Bother COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587749179 JK Annotated Bother COC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749248 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749249 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749250 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749251 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587749252 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587749253 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587749254 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587749255 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587749260 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587749261 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587749262 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587749263 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749444 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749445 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749446 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 ZINC000587749447 JK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587749456 JK Annotated Bother Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587749459 JK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587749460 JK Annotated Bother Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587749461 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587749483 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587749484 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587749487 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587749489 JK Annotated Bother COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587749508 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587749509 JK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587749510 JK Annotated Bother COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587749511 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749512 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749513 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749514 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749515 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749516 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749517 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749518 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749519 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587749533 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587749535 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587749537 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587749539 JK Annotated Bother Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587749575 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587749579 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587749580 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587749581 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587749610 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587749612 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587749614 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587749616 JK Annotated Clean Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587749688 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587749690 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587749692 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccccc1 ZINC000587749694 JK Annotated Mild Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587749756 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587749757 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587749758 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587749759 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587749780 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587749781 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587749842 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587749843 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587749844 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587749845 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587749852 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587749854 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587749856 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 ZINC000587749858 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587749906 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587749907 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587749908 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 ZINC000587749909 JK Annotated Bother Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587750076 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587750079 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587750080 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587750082 JK Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587750124 JK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587750126 JK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587750127 JK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587750128 JK Annotated Bother COC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587750139 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587750140 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587750141 JK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587750143 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1C)OCCO2 ZINC000587750200 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1C)OCCO2 ZINC000587750204 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1C)OCCO2 ZINC000587750205 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1C)OCCO2 ZINC000587750207 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587750314 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587750316 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587750317 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587750319 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc2ccccc12 ZINC000587750328 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc2ccccc12 ZINC000587750335 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc2ccccc12 ZINC000587750336 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc2ccccc12 ZINC000587750338 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587750339 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587750341 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587750342 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587750343 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2ccccc2c1 ZINC000587750368 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2ccccc2c1 ZINC000587750369 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2ccccc2c1 ZINC000587750370 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2ccccc2c1 ZINC000587750372 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc2ccccc12 ZINC000587750563 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc2ccccc12 ZINC000587750565 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc2ccccc12 ZINC000587750566 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc2ccccc12 ZINC000587750567 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587750599 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587750602 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587750604 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587750608 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750620 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750622 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750624 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750626 JK Annotated Bother Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587750787 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587750789 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587750791 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587750793 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587750842 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587750844 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587750847 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)N1 ZINC000587750849 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587750858 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587750860 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587750861 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587750862 JK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587750878 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587750879 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587750880 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587750882 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587750883 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587750885 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587750887 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587750888 JK Annotated Clean Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587750912 JK Annotated Clean Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587750916 JK Annotated Clean Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587750918 JK Annotated Clean Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587750920 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750934 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750936 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750937 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587750939 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751120 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751122 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751124 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751126 JK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751158 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751180 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751182 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751185 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751191 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751193 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751194 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751196 JK Annotated Anodyne CCc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751203 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751206 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751209 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751211 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751220 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751223 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751225 JK Annotated Mild CCc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751227 JK Annotated Mild CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751257 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751261 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751264 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587751266 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751268 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751270 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751273 JK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751275 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587751278 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587751281 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587751283 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587751285 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751288 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751290 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751291 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751292 JK Annotated Bother CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751431 JK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751432 JK Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751433 JK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751434 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587751447 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587751448 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587751449 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 ZINC000587751450 JK Annotated Bother Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751631 JK Annotated Clean Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751632 JK Annotated Clean Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751633 JK Annotated Clean Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587751635 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587751636 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587751637 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587751638 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587751639 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751642 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751643 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751646 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587751648 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587751676 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587751678 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587751679 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587751681 JK Annotated Bother Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587751682 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587751683 JK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587751685 JK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccccc1 ZINC000587751686 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587751687 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587751689 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587751690 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587751691 JK Annotated Bother CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751709 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751712 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751714 JK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751715 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587751722 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587751723 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587751725 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 ZINC000587751726 JK Annotated Bother COC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751737 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751738 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751739 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751741 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751776 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751782 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751789 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N[C@H](C)c2ccccc2)(c2ccccc2)N1 ZINC000587751794 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)c1N ZINC000587751880 JK Annotated Anodyne COc1cccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)c1N ZINC000587751882 JK Annotated Anodyne COc1cccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)c1N ZINC000587751885 JK Annotated Anodyne COc1cccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)c1N ZINC000587751886 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587751953 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587751954 JK Annotated Clean Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587752027 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587752035 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587752037 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587752039 JK Annotated Anodyne COC(=O)c1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752053 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752055 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752057 JK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752059 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587752074 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587752076 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587752078 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587752079 JK Annotated Clean Cc1ccc([C@@]2(Cn3ccnc3C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587752131 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587752132 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587752133 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587752134 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587752171 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587752172 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587752173 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587752174 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587752199 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587752200 JK Annotated Anodyne C[C@@H]([C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000587752201 JK Annotated Anodyne C[C@@H]([C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000587752202 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(N(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752251 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccc(N(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752252 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccc(N(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752253 JK Annotated Clean COc1ccc(/C=C\[C@]2(c3ccc(N(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752254 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587752267 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587752268 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587752269 JK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587752270 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587752275 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587752276 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587752277 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587752278 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752317 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752318 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752319 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752320 JK Annotated Bother CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587752321 JK Annotated Bother CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587752322 JK Annotated Bother CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587752323 JK Annotated Bother CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587752324 JK Annotated Bother Cc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587752345 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587752346 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587752347 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587752348 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587752375 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587752376 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587752377 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587752378 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1C ZINC000587752399 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1C ZINC000587752400 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1C ZINC000587752401 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1C ZINC000587752402 JK Annotated Anodyne CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752407 JK Annotated Anodyne CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752408 JK Annotated Anodyne CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752409 JK Annotated Anodyne CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752410 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587752553 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587752557 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587752560 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587752564 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587752565 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587752566 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752671 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752674 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752676 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752677 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587752679 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587752680 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587752682 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 ZINC000587752683 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587752684 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587752686 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587752687 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 ZINC000587752688 JK Annotated Bother Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752850 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752851 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752852 JK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752853 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587752862 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587752863 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587752864 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 ZINC000587752865 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752866 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752867 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752868 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 ZINC000587752869 JK Annotated Bother CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587752890 JK Annotated Bother CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587752891 JK Annotated Bother CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587752892 JK Annotated Bother CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587752893 JK Annotated Bother Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587752914 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587752915 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587752917 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587752918 JK Annotated Anodyne CC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587752920 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587752923 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587752926 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587752928 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753019 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753021 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753023 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753025 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587753083 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587753086 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587753088 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587753091 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753093 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753096 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753097 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753099 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753101 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753102 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753104 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753106 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587753123 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587753128 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587753132 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587753138 JK Annotated Mild CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753189 JK Annotated Anodyne CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753191 JK Annotated Anodyne CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753192 JK Annotated Anodyne CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753194 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753274 JK Annotated Anodyne CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753275 JK Annotated Clean CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753278 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753279 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753281 JK Annotated Anodyne CC(=O)Nc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753282 JK Annotated Clean Cc1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587753284 JK Annotated Anodyne CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753285 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753286 JK Annotated Clean Cc1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587753297 JK Annotated Anodyne Cc1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587753299 JK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587753301 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587753303 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587753307 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587753308 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587753309 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000587753310 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587753311 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587753313 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587753316 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587753318 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587753327 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587753333 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587753335 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587753352 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587753353 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587753354 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000587753355 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1C)OCCO2 ZINC000587753385 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1C)OCCO2 ZINC000587753386 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1C)OCCO2 ZINC000587753387 JK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1C)OCCO2 ZINC000587753388 JK Annotated Clean COc1ccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587753421 JK Annotated Anodyne COc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587753422 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587753423 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587753424 JK Annotated Anodyne CCc1nccn1Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587753445 JK Annotated Anodyne CCc1nccn1Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587753446 JK Annotated Anodyne CCc1nccn1Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587753447 JK Annotated Anodyne CCc1nccn1Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587753448 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587753564 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587753565 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587753566 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587753568 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587753571 JK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587753575 JK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587753579 JK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000587753582 JK Annotated Bother CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753647 JK Annotated Clean Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753648 JK Annotated Anodyne CC(=O)Nc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753649 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753651 JK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753652 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753653 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753655 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753656 JK Annotated Clean Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753658 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753660 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753662 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753664 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753666 JK Annotated Bother Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753675 JK Annotated Anodyne CC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587753676 JK Annotated Clean Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753677 JK Annotated Anodyne CC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587753678 JK Annotated Clean Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753680 JK Annotated Anodyne CC(=O)c1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587753681 JK Annotated Clean CC(=O)c1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587753683 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587753718 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587753721 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587753724 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587753728 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753767 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753769 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753770 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC000587753771 JK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587753776 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587753778 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587753780 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587753782 JK Annotated Clean CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753795 JK Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753796 JK Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753797 JK Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753798 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587753799 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587753800 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587753801 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587753802 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753825 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753826 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753827 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753828 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753829 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753830 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753831 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753832 JK Annotated Mild Cc1cccc(Cn2c(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587753845 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587753846 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587753847 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587753848 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753861 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753862 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753863 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753864 JK Annotated Clean CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753873 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753874 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753875 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753876 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587753909 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587753911 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587753912 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587753915 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587753924 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587753926 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753928 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753929 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754037 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754058 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754061 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754064 JK Annotated Anodyne Cc1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754067 JK Annotated Anodyne Cc1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754071 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587754074 JK Annotated Anodyne Cc1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754076 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587754079 JK Annotated Anodyne Cc1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754080 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587754083 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587754086 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587754096 JK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587754107 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587754108 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587754109 JK Annotated Mild Cc1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587754111 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587754117 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587754120 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587754122 JK Annotated Anodyne Cc1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754179 JK Annotated Anodyne Cc1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754180 JK Annotated Anodyne Cc1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754181 JK Annotated Anodyne Cc1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754182 JK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587754183 JK Annotated Anodyne Cc1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587754184 JK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587754185 JK Annotated Anodyne Cc1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587754186 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587754199 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587754200 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587754201 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587754202 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587754213 JK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587754214 JK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587754215 JK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(O)ccc2n1-c1ccccc1 ZINC000587754216 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1-n1cccc1 ZINC000587754237 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1-n1cccc1 ZINC000587754239 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1-n1cccc1 ZINC000587754241 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1-n1cccc1 ZINC000587754243 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587754331 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587754334 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587754336 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587754338 JK Annotated Bother CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754345 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754348 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754351 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754354 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1C ZINC000587754375 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1C ZINC000587754377 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1C ZINC000587754379 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1C ZINC000587754382 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2ccccc2c1 ZINC000587754405 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2ccccc2c1 ZINC000587754406 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2ccccc2c1 ZINC000587754408 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2ccccc2c1 ZINC000587754410 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587754451 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587754464 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587754466 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587754468 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587754512 JK Annotated Clean CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754514 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754515 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754516 JK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754517 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754518 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587754519 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587754520 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587754521 JK Annotated Clean CCn1c2ccccc2c2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754522 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754524 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754525 JK Annotated Anodyne C=Cn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587754527 JK Annotated Anodyne C=Cn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587754528 JK Annotated Anodyne C=Cn1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587754530 JK Annotated Anodyne C=Cn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587754531 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754551 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754552 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754553 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587754554 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754577 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754578 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754579 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754580 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587754719 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587754721 JK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587754723 JK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587754725 JK Annotated Anodyne Cc1ccc(C)c(Cn2c(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587754786 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587754789 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587754792 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587754793 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587754824 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587754826 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754828 JK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754830 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587754832 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587754834 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587754836 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587754838 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587754889 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587754890 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587754891 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)NC3CCCC3)c3ccccc23)N1 ZINC000587754892 JK Annotated Anodyne COc1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754909 JK Annotated Anodyne COc1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754910 JK Annotated Anodyne COc1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754911 JK Annotated Anodyne COc1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587754912 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587754965 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587754966 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587754967 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587754968 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587754969 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587754970 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587754971 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587754972 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755040 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755041 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755043 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755046 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587755047 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587755049 JK Annotated Anodyne C[C@@H]([C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)N(Cc1ccccc1)Cc1ccccc1 ZINC000587755051 JK Annotated Anodyne C[C@@H]([C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)N(Cc1ccccc1)Cc1ccccc1 ZINC000587755053 JK Annotated Anodyne Cc1ccc(Cn2c(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755056 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755057 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755058 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755059 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587755151 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587755152 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755153 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755154 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755155 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755156 JK Annotated Clean Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755177 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755178 JK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755179 JK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587755180 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587755197 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587755198 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587755199 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587755200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755229 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755230 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755231 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755232 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755245 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755246 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755247 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755248 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587755253 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587755254 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587755255 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587755256 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587755307 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587755308 JK Annotated Anodyne Cc1ccc([C@]2(Cn3ccnc3C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587755309 JK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587755310 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1 ZINC000587755343 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755344 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755345 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755346 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755347 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1 ZINC000587755351 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1 ZINC000587755353 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c1 ZINC000587755355 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CNC(=O)OCc3ccccc3)CC2)N1 ZINC000587755387 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CNC(=O)OCc3ccccc3)CC2)N1 ZINC000587755390 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587755412 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587755414 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587755417 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccccc3)n(C)c3ccccc23)N1 ZINC000587755419 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587755467 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587755468 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587755469 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587755470 JK Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587755522 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587755525 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587755527 JK Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587755530 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755550 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755551 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(O)c23)N1 ZINC000587755554 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587755610 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587755612 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587755615 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587755618 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587755657 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587755658 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587755659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3n2C)(c2ccccc2)N1 ZINC000587755660 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587755661 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587755662 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587755663 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587755664 JK Annotated Anodyne Cc1cnc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587755673 JK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587755674 JK Annotated Anodyne Cc1cnc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587755675 JK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587755676 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587755695 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587755696 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587755697 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587755698 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587755759 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587755761 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587755762 JK Annotated Anodyne COc1cccc(OCCn2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587755764 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587755800 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587755801 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587755803 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)CC2CCOCC2)N1 ZINC000587755804 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755845 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755846 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755847 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755848 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587755861 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587755862 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587755863 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccc2CNC(=O)OC(C)(C)C)N1 ZINC000587755864 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755865 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755866 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755867 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc(N)cc2)N1 ZINC000587755868 JK Annotated Clean Cc1cccc(-n2ncc3c2CCC[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755889 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755890 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755891 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755892 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587755946 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587755947 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587755948 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587755949 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587755962 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587755967 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587755968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587755969 JK Annotated Anodyne C=Cn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587755978 JK Annotated Anodyne C=Cn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587755980 JK Annotated Anodyne C=Cn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587755982 JK Annotated Anodyne C=Cn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1CCN(Cc1ccccc1)C2 ZINC000587755984 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587756018 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587756019 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587756020 JK Annotated Anodyne CC(C)OC(=O)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587756023 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756050 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756051 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756052 JK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756053 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756058 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756059 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756060 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756061 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc(N(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756113 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccc(N(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756116 JK Annotated Clean COc1ccc(/C=C\[C@]2(c3ccc(N(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756117 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccc(N(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756119 JK Annotated Clean Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756122 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756124 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756125 JK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756129 JK Annotated Anodyne CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756196 JK Annotated Anodyne CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756198 JK Annotated Anodyne CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756200 JK Annotated Anodyne CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756201 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756274 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756275 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756276 JK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756277 JK Annotated Anodyne CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756328 JK Annotated Anodyne CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756330 JK Annotated Anodyne CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756332 JK Annotated Anodyne CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756335 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587756388 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587756391 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587756393 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587756394 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587756395 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587756396 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587756398 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587756400 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587756443 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587756446 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587756449 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587756450 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756466 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756467 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756468 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756469 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587756541 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587756545 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587756548 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2O)N1 ZINC000587756551 JK Annotated Clean Cc1ccc(-n2c(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c3cc(O)ccc32)cc1 ZINC000587756563 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c3cc(O)ccc32)cc1 ZINC000587756565 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c3cc(O)ccc32)cc1 ZINC000587756567 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c3cc(O)ccc32)cc1 ZINC000587756569 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1 ZINC000587756570 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1 ZINC000587756571 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756572 JK Annotated Anodyne Cc1cccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1 ZINC000587756573 JK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c1 ZINC000587756574 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756580 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756584 JK Annotated Anodyne CCc1nccn1Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587756585 JK Annotated Anodyne CCc1nccn1Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587756586 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756587 JK Annotated Anodyne CCc1nccn1Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587756588 JK Annotated Anodyne CCc1nccn1Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587756589 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587756601 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587756603 JK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587756604 JK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587756606 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756628 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756631 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756634 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756638 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587756748 JK Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587756749 JK Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587756750 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587756751 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756793 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756794 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756795 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756796 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756852 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756855 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756857 JK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756860 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1 ZINC000587756901 JK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1 ZINC000587756903 JK Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1 ZINC000587756905 JK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccccc1 ZINC000587756907 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587757032 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587757033 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587757035 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587757037 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587757040 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccccc2)N1 ZINC000587757042 JK Annotated Clean CCc1nccn1Cc1nc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587757048 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587757049 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587757050 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587757051 JK Annotated Anodyne COc1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587757084 JK Annotated Anodyne COc1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587757085 JK Annotated Anodyne COc1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587757086 JK Annotated Anodyne COc1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587757087 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587757124 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587757125 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587757126 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](c2ccccc2)c2cn(C)c3ccccc23)N1 ZINC000587757127 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587757191 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587757194 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587757196 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000587757199 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587757301 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587757304 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587757307 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587757310 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587757319 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587757321 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587757323 JK Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587757324 JK Annotated Anodyne COc1ccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587757348 JK Annotated Anodyne COc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587757350 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587757352 JK Annotated Anodyne COc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587757354 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757419 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757421 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757422 JK Annotated Anodyne COc1ccc(OCCn2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757424 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757439 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757442 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757444 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757447 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587757450 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587757454 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587757457 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=Nc3ccc(N(C)C)cc3)c3ccccc32)N1 ZINC000587757461 JK Annotated Mild Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757531 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757532 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757533 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757534 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587757575 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587757576 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587757577 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587757579 JK Annotated Mild Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757590 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757592 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757594 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757596 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587757604 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587757605 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587757606 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587757607 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587757704 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587757709 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587757714 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587757717 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757737 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757754 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757760 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757764 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757769 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757773 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757776 JK Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757779 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c3cc(O)ccc32)cc1 ZINC000587757798 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c3cc(O)ccc32)cc1 ZINC000587757804 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c3cc(O)ccc32)cc1 ZINC000587757809 JK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c3cc(O)ccc32)cc1 ZINC000587757814 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757903 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757906 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757909 JK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757911 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757954 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757955 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757956 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCNC(=O)OC(C)(C)C)cc2)N1 ZINC000587757958 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587758030 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587758031 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587758032 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587758033 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758058 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758060 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758061 JK Annotated Anodyne CC[C@H](C(=O)O)n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758063 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587758065 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587758067 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587758068 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)NCc3ccco3)c3ccccc23)N1 ZINC000587758070 JK Annotated Anodyne COc1cccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758102 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587758105 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587758106 JK Annotated Clean COc1cccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587758108 JK Annotated Clean COc1cccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758109 JK Annotated Anodyne COc1cccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758110 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)c2ccc(N(C)C)cc2)N1 ZINC000587758111 JK Annotated Clean C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758176 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(c3ccccc3)c3ccccc3)[C@@H]2C)N1 ZINC000587758177 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(c3ccccc3)c3ccccc3)[C@@H]2C)N1 ZINC000587758178 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758179 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587758180 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587758181 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587758182 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587758183 JK Annotated Anodyne Cc1ccc(C)c(Cn2c(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587758467 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587758469 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587758470 JK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587758472 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587758601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587758602 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587758603 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587758605 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587758753 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587758758 JK Annotated Anodyne Cc1ccc(Cn2c(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587758759 JK Annotated Clean CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587758760 JK Annotated Anodyne Cc1ccc(Cn2c(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587758761 JK Annotated Clean CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587758763 JK Annotated Anodyne Cc1ccc(Cn2c(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587758764 JK Annotated Clean Cc1ccc(Cn2c(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587758767 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758772 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758775 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758778 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758781 JK Annotated Anodyne CCOC(=O)Cn1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758809 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758813 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758818 JK Annotated Clean CCOC(=O)Cn1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587758822 JK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1 ZINC000587758876 JK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1 ZINC000587758879 JK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1 ZINC000587758884 JK Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccccc1 ZINC000587758887 JK Annotated Clean Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758890 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758894 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758898 JK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587758902 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758930 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587758933 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758934 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758937 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758944 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587758956 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587758958 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587758961 JK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587758963 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587758978 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587758981 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587758986 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587759071 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587759072 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587759073 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587759075 JK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759110 JK Annotated Anodyne Cc1cnc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759111 JK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759112 JK Annotated Anodyne Cc1cnc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759113 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759126 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759127 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759128 JK Annotated Anodyne Cc1ccccc1OCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759129 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759146 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759147 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759148 JK Annotated Anodyne COc1ccc(Cn2nc(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759149 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587759150 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587759151 JK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759152 JK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759153 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC[C@H](C)C1 ZINC000587759156 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC[C@@H](C)C1 ZINC000587759157 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC[C@@H](C)C1 ZINC000587759159 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC[C@H](C)C1 ZINC000587759161 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759173 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759174 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759176 JK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759178 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759187 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(c3ccccc3)c3ccccc3)[C@@H]2C)N1 ZINC000587759189 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(c3ccccc3)c3ccccc3)[C@@H]2C)N1 ZINC000587759191 JK Annotated Anodyne C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759194 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1-n1cccc1 ZINC000587759205 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1-n1cccc1 ZINC000587759206 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1-n1cccc1 ZINC000587759207 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1-n1cccc1 ZINC000587759208 JK Annotated Anodyne Cc1cccc(Cn2c(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587759287 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587759289 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587759291 JK Annotated Clean Cc1cccc(Cn2c(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587759292 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)N1 ZINC000587759397 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)N1 ZINC000587759400 JK Annotated Anodyne C[C@@H](c1ccccc1)n1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587759402 JK Annotated Anodyne C[C@@H](c1ccccc1)n1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587759404 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587759442 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587759444 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587759445 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)Nc3ccccc3)c3ccccc23)N1 ZINC000587759446 JK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759482 JK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759484 JK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759486 JK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587759488 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759514 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759515 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759516 JK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759517 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587759576 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587759577 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587759578 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587759579 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587759580 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587759581 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587759582 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587759583 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)N1 ZINC000587759608 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)N1 ZINC000587759609 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)N1 ZINC000587759610 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)N1 ZINC000587759611 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759620 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@H]2C)N1 ZINC000587759621 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)[C@H]2C)N1 ZINC000587759622 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759623 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587759663 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587759665 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587759667 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)N1 ZINC000587759669 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587759700 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587759702 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587759704 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2ccn3C(=O)OC(C)(C)C)N1 ZINC000587759707 JK Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759709 JK Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759711 JK Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759713 JK Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759715 JK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587759814 JK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587759815 JK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587759816 JK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587759817 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CN(C(c3ccccc3)c3ccccc3)C2)N1 ZINC000587759840 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CN(C(c3ccccc3)c3ccccc3)C2)N1 ZINC000587759841 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCCC[C@H]2C)N1 ZINC000587759862 JK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759863 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCCC[C@H]2C)N1 ZINC000587759864 JK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759865 JK Annotated Anodyne CC(C)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759934 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759935 JK Annotated Anodyne CC(C)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759936 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759937 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)N1 ZINC000587759977 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)N1 ZINC000587759979 JK Annotated Anodyne C[C@@H](c1ccccc1)n1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587759981 JK Annotated Anodyne C[C@@H](c1ccccc1)n1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587759983 JK Annotated Anodyne COc1cccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587759993 JK Annotated Anodyne COc1cccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587759996 JK Annotated Anodyne COc1cccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587759998 JK Annotated Anodyne COc1cccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587760000 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587760002 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587760004 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587760006 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587760008 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587760099 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587760100 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587760101 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)N1 ZINC000587760102 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760146 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760147 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760148 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760149 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587760150 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587760151 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587760152 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587760153 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)N1 ZINC000587760162 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)N1 ZINC000587760163 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)N1 ZINC000587760164 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)N1 ZINC000587760165 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760238 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760239 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760240 JK Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760241 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587760280 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587760282 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587760284 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccccc23)N1 ZINC000587760287 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587760426 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587760427 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587760428 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)N1 ZINC000587760429 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)N1 ZINC000587760466 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)N1 ZINC000587760467 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)N1 ZINC000587760468 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)N1 ZINC000587760469 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)N1 ZINC000587760486 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)N1 ZINC000587760487 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)N1 ZINC000587760488 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)N1 ZINC000587760489 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC[C@H](C)C1 ZINC000587760506 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC[C@@H](C)C1 ZINC000587760508 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC[C@@H](C)C1 ZINC000587760509 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC[C@H](C)C1 ZINC000587760510 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587760512 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587760513 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587760514 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587760515 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587760627 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587760629 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587760630 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)N1 ZINC000587760631 JK Annotated Mild Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760666 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760668 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760670 JK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760673 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587760675 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587760678 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587760679 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 ZINC000587760681 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760819 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760820 JK Annotated Anodyne CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760821 JK Annotated Anodyne CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760822 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCCC[C@H]2C)N1 ZINC000587760823 JK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760824 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCCC[C@H]2C)N1 ZINC000587760825 JK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760826 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587760827 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587760828 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587760829 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCCCCN2C(=O)OC(C)(C)C)N1 ZINC000587760830 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587760867 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)N2C(=O)c3ccccc3C2=O)N1 ZINC000587760868 JK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760869 JK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760870 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760887 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760888 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760889 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760890 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760895 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760896 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760897 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587760898 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587760907 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587760908 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587760909 JK Annotated Anodyne Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587760910 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761047 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761048 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761049 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761050 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587761095 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587761096 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587761097 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1 ZINC000587761098 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587761256 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587761257 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587761258 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587761260 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)N1 ZINC000587761262 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)N1 ZINC000587761264 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)N1 ZINC000587761266 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)N1 ZINC000587761267 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587761275 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587761281 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587761284 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587761286 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)CC2(C)C)N1 ZINC000587761287 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)CC2(C)C)N1 ZINC000587761289 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)CC2(C)C)N1 ZINC000587761292 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)CC2(C)C)N1 ZINC000587761294 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587761317 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587761319 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587761321 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587761322 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761325 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761328 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761329 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761330 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761331 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761332 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761334 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761336 JK Annotated Anodyne Cc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)n1 ZINC000587761651 JK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)n1 ZINC000587761652 JK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)n1 ZINC000587761653 JK Annotated Anodyne Cc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)n1 ZINC000587761654 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587761655 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587761656 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587761657 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587761658 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587761699 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587761700 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587761701 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587761702 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)N1 ZINC000587761887 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)N1 ZINC000587761888 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)N1 ZINC000587761889 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)N1 ZINC000587761890 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761914 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)[C@H]2C)N1 ZINC000587761915 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761916 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@H]2C)N1 ZINC000587761919 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CN(C(c3ccccc3)c3ccccc3)C2)N1 ZINC000587761958 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CN(C(c3ccccc3)c3ccccc3)C2)N1 ZINC000587761959 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587762008 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587762009 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587762010 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587762011 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762030 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762032 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762035 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762038 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587762151 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587762153 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587762155 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587762157 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)n2)cc1 ZINC000587762496 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)n2)cc1 ZINC000587762497 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)n2)cc1 ZINC000587762498 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)n2)cc1 ZINC000587762499 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762598 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762599 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762600 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)N1 ZINC000587762626 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)N1 ZINC000587762627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)N1 ZINC000587762628 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)N1 ZINC000587762629 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)N1 ZINC000587762754 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)N1 ZINC000587762755 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)N1 ZINC000587762756 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)N1 ZINC000587762757 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762818 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762820 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762822 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)N1 ZINC000587762824 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587762877 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587762880 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587762881 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587762883 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587762912 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587762913 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587762914 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587762915 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762948 JK Annotated Anodyne CC(C)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762949 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762950 JK Annotated Anodyne CC(C)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762951 JK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763008 JK Annotated Anodyne CC(C)[C@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763009 JK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763010 JK Annotated Anodyne CC(C)[C@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763011 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763076 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763077 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763078 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763079 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763264 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763265 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763266 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763267 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763316 JK Annotated Anodyne CCOc1ccc(/C=C\[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763317 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763318 JK Annotated Anodyne CCOc1ccc(/C=C\[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763319 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763324 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763325 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763326 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763327 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763418 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763419 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763420 JK Annotated Anodyne Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763421 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587763485 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587763487 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587763489 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H]2CCCN2C(=O)OC(C)(C)C)(C2CC2)N1 ZINC000587763491 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763514 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763516 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763518 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nn(-c4ccccc4)cc3C=O)o2)N1 ZINC000587763520 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587763565 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587763567 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587763569 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587763571 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587763668 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587763669 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587763670 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587763671 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763672 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763673 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763674 JK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763675 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763680 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763681 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763682 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763683 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763712 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763713 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763714 JK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763715 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587763816 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587763817 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587763818 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587763819 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763820 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763821 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763822 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763823 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763837 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763838 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763840 JK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763842 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763885 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763887 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763889 JK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587763891 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587763892 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587763893 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587763894 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587763895 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587763896 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587763898 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587763899 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587763901 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)cc1C ZINC000587763955 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)cc1C ZINC000587763957 JK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587763958 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)cc1C ZINC000587763959 JK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587763960 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)cc1C ZINC000587763961 JK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587763962 JK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587763964 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763981 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763982 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763985 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763988 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764004 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764005 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764006 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764007 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCN(Cc4ccccc4)CC3)c2)N1 ZINC000587764014 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCN(Cc4ccccc4)CC3)c2)N1 ZINC000587764015 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCN(Cc4ccccc4)CC3)c2)N1 ZINC000587764016 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCN(Cc4ccccc4)CC3)c2)N1 ZINC000587764017 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764106 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764107 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587764116 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587764117 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587764118 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(Cc3ccccc3)c3ccccc23)N1 ZINC000587764119 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764172 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764174 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764191 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764193 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764196 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764198 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587764199 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587764200 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587764202 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587764204 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587764244 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587764245 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764262 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764263 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764264 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764265 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587764310 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587764311 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587764312 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587764313 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764330 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764331 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587764333 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764383 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764384 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764385 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764386 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764387 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764388 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764389 JK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764390 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587764472 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587764473 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587764474 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587764475 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587764480 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587764481 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587764482 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587764483 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587764484 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587764485 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587764486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1 ZINC000587764487 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587764569 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587764573 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587764575 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587764577 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764635 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764637 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764638 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764640 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587764733 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587764734 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587764735 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587764736 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587764745 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587764746 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587764747 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587764748 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587764753 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587764755 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587764756 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587764758 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764761 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764763 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764764 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000587764765 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587764803 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587764804 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587764805 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 ZINC000587764806 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764815 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764816 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764817 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000587764818 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587764819 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587764820 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587764821 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587764822 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)cc1C ZINC000587764831 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)cc1C ZINC000587764832 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)cc1C ZINC000587764833 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)cc1C ZINC000587764834 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587764843 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587764844 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587764845 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587764846 JK Annotated Anodyne CCOc1ccc(/C=C\[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764855 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764856 JK Annotated Anodyne CCOc1ccc(/C=C/[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764857 JK Annotated Anodyne CCOc1ccc(/C=C\[C@]2(c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587764858 JK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764936 JK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764937 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764938 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764939 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764940 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764941 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764942 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764943 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764984 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764985 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764987 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587764989 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587764996 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587764997 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587764998 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587764999 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587765034 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587765035 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587765152 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587765153 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCCCC1 ZINC000587765162 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCCCC1 ZINC000587765163 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCCCC1 ZINC000587765165 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCN1CCCCC1 ZINC000587765166 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587765202 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765205 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587765206 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765208 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587765210 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765212 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587765214 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587765215 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765288 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765291 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765294 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765297 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587765325 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587765329 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587765330 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587765333 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587765340 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587765350 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587765352 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587765355 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587765390 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587765399 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587765403 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587765409 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587765412 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587765414 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587765416 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587765418 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587765421 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587765422 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587765424 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(C=O)o2)N1 ZINC000587765426 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765441 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765442 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765444 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765447 JK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587765576 JK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587765577 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587765578 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587765579 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587765668 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587765669 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587765716 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587765717 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587765757 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587765758 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587765761 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587765764 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587765766 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587765767 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587765769 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587765772 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587765775 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587765777 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587765779 JK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587765781 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587765837 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587765838 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587765840 JK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587765842 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765853 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765854 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765855 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765856 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)n2)cc1 ZINC000587765871 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)n2)cc1 ZINC000587765872 JK Annotated Anodyne Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)n2)cc1 ZINC000587765873 JK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)n2)cc1 ZINC000587765875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587765877 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587765879 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587765881 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2C(C)(C)C)N1 ZINC000587765883 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587766016 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587766018 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587766019 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2N2CCCCC2)N1 ZINC000587766020 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587766031 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587766033 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587766173 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587766174 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766286 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766288 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766290 JK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766292 JK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766320 JK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766322 JK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766325 JK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766328 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587766390 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587766393 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587766395 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587766397 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766411 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766414 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766418 JK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587766421 JK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)n1 ZINC000587766463 JK Annotated Anodyne Cc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)n1 ZINC000587766465 JK Annotated Anodyne Cc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)n1 ZINC000587766468 JK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)n1 ZINC000587766470 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587766479 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587766480 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587766481 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587766482 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587766488 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587766489 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587766490 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587766491 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587766492 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587766494 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587766495 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587766497 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587766563 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587766565 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587766566 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587766567 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587766586 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587766605 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587766608 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587766611 JK Annotated Anodyne Cc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587766624 JK Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587766626 JK Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587766627 JK Annotated Anodyne Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587766629 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587766630 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587766636 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587766638 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587766641 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587766758 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587766760 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587766762 JK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587766766 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766778 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766780 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766793 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766795 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587766816 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587766817 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587766818 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587766820 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587766871 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587766872 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587766876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587766881 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587766885 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)N1 ZINC000587766889 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766896 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766900 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766901 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766903 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767068 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767071 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767073 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767076 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587767304 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587767306 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587767309 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N1 ZINC000587767312 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767341 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767343 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767346 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767347 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767356 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767358 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767359 JK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767361 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767394 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767395 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767397 JK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767398 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767491 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767492 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767493 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)N1 ZINC000587767494 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587767499 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587767500 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587767501 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000587767502 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587767515 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587767516 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587767517 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCCCCC3)c2)N1 ZINC000587767518 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587767590 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587767591 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587767636 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587767637 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587767638 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)c3ccccc32)N1 ZINC000587767639 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767711 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767712 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767714 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767715 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587767848 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587767851 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587767854 JK Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587767857 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587767890 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CCN3C(=O)OC(C)(C)C)N1 ZINC000587767893 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767997 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768000 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768005 JK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768009 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587768067 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587768071 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587768074 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1 ZINC000587768078 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587768158 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587768159 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587768160 JK Annotated Anodyne CC1CCN(C(=O)Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587768161 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768412 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768416 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768418 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768421 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587768516 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587768517 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587768519 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587768520 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccn1 ZINC000587768560 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccn1 ZINC000587768561 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccn1 ZINC000587768563 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccn1 ZINC000587768564 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587768571 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587768572 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587768573 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3N(C(N)=O)c3ccccc32)N1 ZINC000587768574 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587768575 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587768576 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587768578 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)n(Cc3ccccc3)c3ccccc23)N1 ZINC000587768579 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587768598 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587768600 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587768601 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587768603 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587768676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587768679 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587768681 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587768683 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587768815 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587768817 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587768819 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587768821 JK Annotated Anodyne Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587768826 JK Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587768829 JK Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587768831 JK Annotated Anodyne Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587768833 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587768880 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587768881 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587768882 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587768883 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768932 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768933 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768934 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768935 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769108 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769109 JK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769110 JK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769111 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCCCC1 ZINC000587769124 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCCCC1 ZINC000587769125 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCCCC1 ZINC000587769126 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCN1CCCCC1 ZINC000587769127 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769164 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769165 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769166 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769167 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587769198 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587769200 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587769202 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N1 ZINC000587769205 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769208 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769210 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769213 JK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769214 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587769274 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587769278 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587769280 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587769282 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587769334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587769336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)N1 ZINC000587769339 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)N1 ZINC000587769342 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)N1 ZINC000587769344 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)N1 ZINC000587769346 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587769398 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587769401 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587769404 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587769407 JK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1CCc1ccncc1 ZINC000587769435 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1CCc1ccncc1 ZINC000587769440 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1CCc1ccncc1 ZINC000587769444 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1CCc1ccncc1 ZINC000587769447 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769451 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769454 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769459 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769462 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769483 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769487 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769490 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)N1 ZINC000587769492 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587769602 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587769603 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587769604 JK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587769605 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587769656 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587769657 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587769658 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587769659 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769664 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769665 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769666 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769667 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587769672 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587769673 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587769674 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)N1 ZINC000587769675 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587769740 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587769741 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587769742 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCC(C)CC1 ZINC000587769743 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587769846 JK Annotated Anodyne Cc1cc([C@@]2(CN3CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587769849 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587769850 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587769851 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587769852 JK Annotated Anodyne Cc1cc([C@]2(CN3CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587769854 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769866 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769870 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769875 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC23CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587769880 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769898 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769902 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769904 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769908 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@]23CCN(C(=O)OCc2ccccc2)C3)N1 ZINC000587769929 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]23CCN(C(=O)OCc2ccccc2)C3)N1 ZINC000587769935 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@]23CCN(C(=O)OCc2ccccc2)C3)N1 ZINC000587769939 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]23CCN(C(=O)OCc2ccccc2)C3)N1 ZINC000587769943 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769947 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769950 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769953 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769956 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769987 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769990 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769992 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587769995 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770013 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770015 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770017 JK Annotated Anodyne CCn1cc(-c2cc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770021 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587770057 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587770058 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587770060 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587770061 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770076 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770078 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770082 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770084 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(C[C@@H]1CO1)c1ccccc12 ZINC000587770127 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(C[C@@H]1CO1)c1ccccc12 ZINC000587770131 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(C[C@H]1CO1)c1ccccc12 ZINC000587770134 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(C[C@H]1CO1)c1ccccc12 ZINC000587770135 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770193 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770194 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770195 JK Annotated Anodyne Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770196 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587770359 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587770362 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587770364 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(Cc3ccccc3C(=O)O)c3ccccc32)N1 ZINC000587770365 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770434 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770438 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770441 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770445 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770449 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770450 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770452 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770454 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770456 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770458 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587770459 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770462 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770466 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770477 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770481 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770486 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770490 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770492 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770494 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770498 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770503 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770508 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770510 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770512 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770555 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770557 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770560 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770563 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587770567 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587770573 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587770575 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587770577 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770579 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770582 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770584 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770586 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770591 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770594 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587770595 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770596 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587770597 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770598 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587770599 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587770601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770616 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770619 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770621 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587770623 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587770640 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587770641 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587770644 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587770646 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770679 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770685 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770687 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770689 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770692 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770699 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770703 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770706 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587770771 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587770772 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587770773 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCC(C)CC1 ZINC000587770774 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587770833 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587770834 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587770835 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587770836 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770869 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770870 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770871 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770872 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587770882 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587770883 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587770884 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587770885 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587770895 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587770897 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587770898 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587770900 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770931 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770932 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770933 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)N1 ZINC000587770934 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587771004 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587771006 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587771008 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587771011 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771054 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771059 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771061 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771063 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771114 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771121 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771125 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771128 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587771189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587771196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587771200 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587771205 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771221 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771225 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771228 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771232 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771234 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771238 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771243 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)c3ccccc32)N1 ZINC000587771246 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587771271 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587771275 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587771277 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587771280 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771323 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771330 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771333 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771335 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587771347 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587771351 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587771353 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587771356 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771369 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771371 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771373 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771375 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587771395 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587771396 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587771397 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCC2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587771398 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587771412 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587771413 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587771414 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587771415 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1CCc1ccncc1 ZINC000587771416 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1CCc1ccncc1 ZINC000587771417 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1CCc1ccncc1 ZINC000587771418 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1CCc1ccncc1 ZINC000587771420 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587771501 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587771502 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587771503 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587771505 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587771649 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587771651 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587771654 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587771656 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587771688 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587771691 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587771693 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587771695 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771760 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771762 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771764 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771765 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587771814 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587771815 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587771816 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587771817 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771853 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771854 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771857 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771858 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771859 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771860 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCN3C(=O)OC(C)(C)C)CC2)N1 ZINC000587771873 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCN3C(=O)OC(C)(C)C)CC2)N1 ZINC000587771875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)N1 ZINC000587771876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)N1 ZINC000587771878 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)N1 ZINC000587771879 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)N1 ZINC000587771880 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587771934 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587771936 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587771937 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)N1 ZINC000587771939 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587771945 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587771946 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587771947 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)N1 ZINC000587771949 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(C[C@@H]1CO1)c1ccccc12 ZINC000587772017 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772018 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772019 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772020 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(C[C@@H]1CO1)c1ccccc12 ZINC000587772021 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772022 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(C[C@H]1CO1)c1ccccc12 ZINC000587772024 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(C[C@H]1CO1)c1ccccc12 ZINC000587772025 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772064 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772065 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772067 JK Annotated Anodyne Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772068 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772070 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772071 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772072 JK Annotated Anodyne COc1ccc(OCc2ccccn2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772074 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587772115 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587772116 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587772117 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccccc1 ZINC000587772118 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc2c1 ZINC000587772145 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc2c1 ZINC000587772146 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc2c1 ZINC000587772147 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc2c1 ZINC000587772148 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587772416 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587772419 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587772423 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)N1 ZINC000587772426 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587772433 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587772438 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587772443 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587772448 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587772547 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587772549 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587772551 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587772553 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCN3C(=O)OC(C)(C)C)CC2)N1 ZINC000587772590 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCN3C(=O)OC(C)(C)C)CC2)N1 ZINC000587772592 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772619 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772622 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772630 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772634 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772637 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772639 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC3(CCCCC3)N2C(=O)OC(C)(C)C)N1 ZINC000587772640 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587772645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587772646 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587772647 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(Cc1ccccc1)c1ccccc12 ZINC000587772648 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587772653 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587772654 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587772655 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587772656 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772673 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772674 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772675 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587772741 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587772742 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587772743 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587772744 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772769 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772770 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772771 JK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772772 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccn1 ZINC000587772975 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccn1 ZINC000587772976 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccn1 ZINC000587772977 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccn1 ZINC000587772978 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587772986 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587772987 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587773006 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587773009 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587773011 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587773012 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773019 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773020 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773022 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773023 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773068 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773069 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773071 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773072 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773074 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773075 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773077 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773078 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773234 JK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773235 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773236 JK Annotated Anodyne CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773239 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587773248 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587773251 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587773252 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587773254 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773267 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773268 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773269 JK Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773271 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587773292 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587773297 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587773302 JK Annotated Anodyne Cc1ccc(CN2C(=O)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587773306 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587773359 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587773360 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587773362 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587773363 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773410 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773412 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773413 JK Annotated Anodyne COc1cccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773414 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773416 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773417 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773418 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773420 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587773473 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587773474 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587773476 JK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587773477 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587773576 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587773578 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587773580 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587773581 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587773583 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587773585 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587773586 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)N1 ZINC000587773587 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587773605 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587773613 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587773617 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587773621 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587773645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587773647 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587773650 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587773653 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587773655 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587773663 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587773664 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587773665 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587773748 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587773749 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587773750 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587773751 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773776 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773778 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773780 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773782 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773784 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773785 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773786 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587773789 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587773791 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587773792 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2cccc3c(O)nccc23)(c2ccccc2)N1 ZINC000587773793 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773795 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773796 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773798 JK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773799 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773836 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773837 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773838 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773839 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773852 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773853 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773854 JK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773855 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773860 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773861 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773862 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773863 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc2c1 ZINC000587773868 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc2c1 ZINC000587773869 JK Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc2c1 ZINC000587773870 JK Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc2c1 ZINC000587773871 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587773876 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587773877 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587773878 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587773879 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587773932 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587773933 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587773934 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587773935 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587773976 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587773977 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587773978 JK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587773979 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587774051 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587774054 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587774114 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587774117 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)N1 ZINC000587774144 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)N1 ZINC000587774147 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)N1 ZINC000587774149 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)CC23CC3)N1 ZINC000587774152 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774256 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774257 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774258 JK Annotated Anodyne Cc1ccc(-c2cc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774259 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3)nc12 ZINC000587774296 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4N[C@H](C)Cc5cc(Br)c(F)cc54)cc3)nc12 ZINC000587774297 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3)nc12 ZINC000587774298 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4N[C@H](C)Cc5cc(Br)c(F)cc54)cc3)nc12 ZINC000587774299 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587774492 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587774493 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587774494 JK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587774495 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587774597 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587774600 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587774602 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587774603 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774645 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774646 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774647 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774648 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587774685 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587774686 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587774687 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)N1 ZINC000587774688 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587774834 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587774835 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774888 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774889 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774890 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774891 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587774925 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587774926 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587774927 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587774928 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774937 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774938 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774939 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774940 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587774941 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587774942 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587774943 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587774944 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774973 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774974 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774975 JK Annotated Anodyne COc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774976 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774981 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774982 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774983 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587774984 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774985 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774986 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774987 JK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774988 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587774989 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587774990 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587774991 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587774992 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc12 ZINC000587774993 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc12 ZINC000587774994 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc12 ZINC000587774995 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nc12 ZINC000587774996 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587775148 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587775149 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587775150 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587775151 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587775180 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587775183 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775187 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775188 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775189 JK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775191 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587775192 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587775194 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587775196 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCc2ccccc2N3C)N1 ZINC000587775198 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587775218 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587775220 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587775223 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587775225 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775237 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775239 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775241 JK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775243 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775265 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775266 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775267 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775268 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587775269 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587775270 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587775271 JK Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587775272 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775285 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775286 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775287 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587775288 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775413 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775414 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775416 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775418 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587775463 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587775464 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587775465 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587775466 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775505 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775508 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775510 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775512 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775515 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775517 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775520 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775522 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587775524 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587775526 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775551 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775553 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775555 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)N1 ZINC000587775556 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775597 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775598 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775599 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775600 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775609 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775610 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775611 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775612 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587775701 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587775702 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587775703 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587775704 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775728 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775729 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775730 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775731 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCN3Cc3ccccc3)CC2)N1 ZINC000587775764 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCN3Cc3ccccc3)CC2)N1 ZINC000587775766 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775795 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775796 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775797 JK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775798 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775824 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587775825 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775827 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587775828 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775830 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587775832 JK Annotated Anodyne COc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775833 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)N1 ZINC000587775836 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775848 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775852 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775853 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775855 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775856 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775858 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)N1 ZINC000587775859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775861 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775894 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775896 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775898 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775900 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775950 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775951 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775952 JK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775953 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775970 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775971 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775972 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2cc3ccccc3nc2C=O)N1 ZINC000587775973 JK Annotated Anodyne Cc1ccc2nc(O)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)c2c1 ZINC000587775978 JK Annotated Anodyne Cc1ccc2nc(O)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)c2c1 ZINC000587775982 JK Annotated Anodyne Cc1ccc2nc(O)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)c2c1 ZINC000587775983 JK Annotated Anodyne Cc1ccc2nc(O)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)c2c1 ZINC000587775984 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776005 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776006 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776007 JK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776008 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776037 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776038 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776039 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776040 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc12 ZINC000587776057 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc12 ZINC000587776058 JK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc12 ZINC000587776059 JK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nc12 ZINC000587776060 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587776061 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587776062 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587776063 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cn3ccccc3n2)N1 ZINC000587776064 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776069 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776070 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776071 JK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776072 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587776088 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587776090 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587776092 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1 ZINC000587776094 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776102 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776103 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776105 JK Annotated Anodyne CCc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776107 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776108 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776110 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776112 JK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587776115 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776265 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776266 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587776271 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587776272 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587776273 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)N1 ZINC000587776274 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587776285 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)N1 ZINC000587776286 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587776320 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587776321 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587776322 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)N1 ZINC000587776323 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776348 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776349 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776350 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3cn4ccccc4n3)c2)N1 ZINC000587776351 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776396 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776397 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776398 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776399 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776424 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776425 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776426 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776427 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587776440 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587776441 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587776442 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587776443 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776480 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776481 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776482 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776483 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCc2cccnc2)c1 ZINC000587776484 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCc2cccnc2)c1 ZINC000587776485 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCc2cccnc2)c1 ZINC000587776486 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCc2cccnc2)c1 ZINC000587776487 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccnc1 ZINC000587776492 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccnc1 ZINC000587776493 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccnc1 ZINC000587776494 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccnc1 ZINC000587776495 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776528 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776529 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776530 JK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776531 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776647 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776649 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776651 JK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776653 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776681 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776682 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776683 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587776684 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3)nc12 ZINC000587776892 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4N[C@H](C)Cc5ccc(F)c(Br)c54)cc3)nc12 ZINC000587776895 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3)nc12 ZINC000587776897 JK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4N[C@H](C)Cc5ccc(F)c(Br)c54)cc3)nc12 ZINC000587776899 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776901 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776904 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776907 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776910 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776913 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776916 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776918 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776922 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776925 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776927 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776929 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587776931 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587776969 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587776970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587776971 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)N1 ZINC000587776972 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCN3Cc3ccccc3)CC2)N1 ZINC000587777026 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCN3Cc3ccccc3)CC2)N1 ZINC000587777027 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587777042 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587777043 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587777044 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3Cc4ccccc4C3=N)c2)N1 ZINC000587777045 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccnc1 ZINC000587777150 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccnc1 ZINC000587777151 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccnc1 ZINC000587777153 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccnc1 ZINC000587777154 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587777189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587777197 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587777198 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587777199 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587777200 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587777201 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587777216 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587777222 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587777224 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587777226 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccncc1 ZINC000587777308 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccncc1 ZINC000587777309 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccncc1 ZINC000587777310 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccncc1 ZINC000587777311 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777467 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777469 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777470 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777471 JK Annotated Anodyne Cc1ccc2oc3nc(C)c([C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 ZINC000587777486 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 ZINC000587777487 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 ZINC000587777489 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 ZINC000587777490 JK Annotated Bother Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777491 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777492 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777493 JK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777494 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777501 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777502 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777504 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777505 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777643 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777644 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777645 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777646 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777660 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777662 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccccc3c2-c2ccccc2)N1 ZINC000587777664 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587777677 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587777679 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587777681 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2OC(=O)c2ccccc2)N1 ZINC000587777682 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCc2cccnc2)c1 ZINC000587777753 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCc2cccnc2)c1 ZINC000587777754 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCc2cccnc2)c1 ZINC000587777756 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCc2cccnc2)c1 ZINC000587777757 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777905 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777906 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777907 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3cc2C(=O)c2ccco2)N1 ZINC000587777908 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(C)c(OCC)c3)[nH]c2cc1Br ZINC000587778010 JK Annotated Mild CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587778076 JK Annotated Anodyne CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587778102 JK Annotated Anodyne CCCOc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587778148 JK Annotated Reactive COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C\c1ccncc1)C2 ZINC000587778154 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C/c1ccncc1)C2 ZINC000587778163 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C/c1ccncc1)C2 ZINC000587778166 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C\c1ccncc1)C2 ZINC000587778167 JK Annotated Anodyne CCCOc1cccc(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1 ZINC000587778203 JK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587778297 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C/c1ccncc1)C2 ZINC000587778375 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C/c1ccncc1)C2 ZINC000587778376 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C\c1ccncc1)C2 ZINC000587778377 JK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C\c1ccncc1)C2 ZINC000587778378 JK Annotated Anodyne CCOc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1C ZINC000587778515 JK Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccncc1 ZINC000587778621 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccncc1 ZINC000587778622 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccncc1 ZINC000587778623 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccncc1 ZINC000587778624 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccc2ccccc2n1 ZINC000587778872 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccc2ccccc2n1 ZINC000587778873 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccc2ccccc2n1 ZINC000587778874 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccc2ccccc2n1 ZINC000587778875 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778914 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778915 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778916 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778917 JK Annotated Anodyne Cc1ccc2oc3nc(C)c([C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 ZINC000587778970 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 ZINC000587778972 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 ZINC000587778974 JK Annotated Bother Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 ZINC000587778976 JK Annotated Bother CCOc1ccc(OCC)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587779097 JK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc(OCC)ccc3OCC)[nH]c2cc1Br ZINC000587779250 JK Annotated Mild Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779403 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779404 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779405 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779406 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccc2ccccc2n1 ZINC000587779501 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccc2ccccc2n1 ZINC000587779502 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccc2ccccc2n1 ZINC000587779503 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccc2ccccc2n1 ZINC000587779504 JK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587779585 JK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779592 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779594 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779595 JK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779596 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587779597 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587779598 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587779599 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1ccncc1)CCC/C2=C\c1ccncc1 ZINC000587779600 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587779612 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587779614 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587779615 JK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587779616 JK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587779709 JK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587779730 JK Annotated Reactive CCOc1ccccc1-c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587779887 JK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587779905 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccnc1 ZINC000587779974 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccnc1 ZINC000587779976 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccnc1 ZINC000587779978 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccnc1 ZINC000587779979 JK Annotated Anodyne Cc1ccc2nc(O)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)c2c1 ZINC000587780046 JK Annotated Anodyne Cc1ccc2nc(O)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)c2c1 ZINC000587780047 JK Annotated Anodyne Cc1ccc2nc(O)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)c2c1 ZINC000587780048 JK Annotated Anodyne Cc1ccc2nc(O)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)c2c1 ZINC000587780049 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780092 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780095 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780097 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780098 JK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccnc1 ZINC000587780162 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccnc1 ZINC000587780164 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccnc1 ZINC000587780166 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccnc1 ZINC000587780168 JK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587780213 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587780233 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587780234 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587780235 JK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587780236 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780291 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780292 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780293 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(C#Cc4ccccc4)ccc32)N1 ZINC000587780294 JK Annotated Mild CCOc1ccccc1-c1cccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000587780366 JK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccccc3OCC)[nH]c2cc1Br ZINC000587780445 JK Annotated Mild CCOc1ccccc1-c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587780491 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)c1 ZINC000587780525 JK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587780564 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587780565 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccccc4OCC)c3)nc2c1 ZINC000587780598 JK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587780601 JK Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587780650 JK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587780671 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)c1 ZINC000587780746 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)c1 ZINC000587780751 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 ZINC000587780837 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 ZINC000587780838 JK Annotated Anodyne CCCCCCCCOc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br ZINC000587780892 JK Annotated Mild CCCCCCCCOc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br ZINC000587780893 JK Annotated Mild COc1cccc(OCc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)c1 ZINC000587780905 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781017 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781018 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781083 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781084 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)c1 ZINC000587781113 JK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2cc1Br ZINC000587781129 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781186 JK Annotated Bother CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781189 JK Annotated Bother CCC[C@@H](CC1(c2nc3cc(OC)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781217 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781218 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781227 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781228 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781254 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781255 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781257 JK Annotated Bother CCC[C@@H](CC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781258 JK Annotated Bother CCC[C@H](CC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781259 JK Annotated Clean CCC[C@@H](CC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781260 JK Annotated Clean CCC[C@@H](CC1(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781264 JK Annotated Mild CCC[C@H](CC1(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781265 JK Annotated Mild CCC[C@H](CC1(c2nc3cc(Br)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781268 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781269 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781286 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781287 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)c1 ZINC000587781299 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781425 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781426 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781432 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781434 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781443 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781444 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCCC1)C(=O)OCc1ccccc1 ZINC000587781445 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCCC1)C(=O)OCc1ccccc1 ZINC000587781446 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781448 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781449 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)c(C)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781457 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)c(C)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781458 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC)cc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781469 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC)cc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781470 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781479 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781480 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(F)c(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781483 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(F)c(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781484 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781485 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781486 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587781495 JK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587781496 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)c1 ZINC000587781504 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 ZINC000587781540 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 ZINC000587781541 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 ZINC000587781552 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 ZINC000587781557 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781558 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781559 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 ZINC000587781560 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587781571 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781592 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 ZINC000587781595 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 ZINC000587781596 JK Annotated Reactive CCC[C@H](CC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781597 JK Annotated Anodyne O=C(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)OCc1ccccc1 ZINC000587781608 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781634 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781636 JK Annotated Anodyne Fc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1Br ZINC000587781640 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781655 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781656 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587781666 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(S)nc(S)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781679 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c(S)nc(S)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781697 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781699 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781701 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccnc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781707 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccnc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781710 JK Annotated Anodyne Clc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2nc1Cl ZINC000587781736 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587781760 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587781761 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781776 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781778 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781828 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781831 JK Annotated Anodyne Cc1cc(Br)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587781886 JK Annotated Anodyne Fc1cnc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587781906 JK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)cc2)c1 ZINC000587781948 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3nc(Br)c[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781963 JK Annotated Anodyne CCC[C@H](CC1(c2nc3nc(Br)c[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781966 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781968 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781973 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc4nc(C)ccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781981 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc4nc(C)ccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781982 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(F)cnc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782027 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c(F)cnc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782029 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782050 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782061 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(OCCN(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782062 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(OCCN(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782063 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC)c(OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782082 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC)c(OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782083 JK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587782091 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587782109 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Br)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782119 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(Br)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782121 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782123 JK Annotated Anodyne Brc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782130 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782131 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782147 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782150 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782166 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782168 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782177 JK Annotated Anodyne Brc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cn1 ZINC000587782189 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587782213 JK Annotated Anodyne Brc1cncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782215 JK Annotated Anodyne Clc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c(Cl)n1 ZINC000587782221 JK Annotated Anodyne Cc1nc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2cc1Br ZINC000587782224 JK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587782225 JK Annotated Anodyne Fc1c(Cl)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1F ZINC000587782230 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782263 JK Annotated Anodyne O=C(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 ZINC000587782278 JK Annotated Reactive CCC[C@H](CC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782297 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782298 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)nc(C#N)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782316 JK Annotated Mild CCC[C@@H](CC1(c2nc3cc(Cl)nc(C#N)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782317 JK Annotated Mild CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782410 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782412 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782417 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782421 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782423 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782424 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(C)c(Br)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782438 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c(C)c(Br)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782439 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587782461 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587782463 JK Annotated Anodyne Brc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 ZINC000587782471 JK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782473 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 ZINC000587782477 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Cl ZINC000587782478 JK Annotated Bother Fc1cc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2cc1-n1cccn1 ZINC000587782489 JK Annotated Anodyne Brc1c[nH]c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2n1 ZINC000587782490 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587782496 JK Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782515 JK Annotated Mild Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587782529 JK Annotated Anodyne Cc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782532 JK Annotated Anodyne FC1(F)Oc2cc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3cc2O1 ZINC000587782543 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782572 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782573 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782585 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782590 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782596 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782598 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782610 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782612 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782620 JK Annotated Bother CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782625 JK Annotated Bother CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782698 JK Annotated Bother CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782707 JK Annotated Bother CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782736 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782737 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782750 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782751 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782820 JK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782821 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782825 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782826 JK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587782828 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587782831 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)OCC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782837 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)OCC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782838 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587782841 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782853 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782854 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782855 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782856 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782864 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782871 JK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782872 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782873 JK Annotated Anodyne CCC[C@H](CC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782874 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782875 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782877 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C#N)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782884 JK Annotated Mild CCC[C@H](CC1(c2nc3cc(C#N)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782886 JK Annotated Mild CCC[C@H](CC1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782896 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782898 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782902 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782903 JK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782906 JK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782907 JK Annotated Anodyne Oc1c(Br)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782912 JK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782916 JK Annotated Mild Fc1cc(Br)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782945 JK Annotated Anodyne FC(F)(F)Sc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 ZINC000587782946 JK Annotated Anodyne Cc1c(Br)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1C ZINC000587782958 JK Annotated Anodyne Clc1cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1Cl ZINC000587783004 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587783014 JK Annotated Anodyne Brc1nccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587783085 JK Annotated Anodyne Brc1cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587783090 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587783092 JK Annotated Anodyne Fc1cc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2cc1Br ZINC000587783093 JK Annotated Anodyne Brc1ccnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587783105 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587783111 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587783142 JK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587783150 JK Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587783166 JK Annotated Reactive Fc1c(Br)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587783179 JK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587783191 JK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1F ZINC000587783192 JK Annotated Bother COC(=O)c1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587783203 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783377 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783378 JK Annotated Anodyne Ic1cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783400 JK Annotated Anodyne Ic1cnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783403 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783416 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783417 JK Annotated Anodyne Ic1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783421 JK Annotated Anodyne Ic1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783422 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3CC(=O)OC)[nH]c2cc1Br ZINC000587783466 JK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783621 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783627 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783661 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783662 JK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783685 JK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783686 JK Annotated Bother O=C1COc2cc3[nH]c(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)nc3cc2N1 ZINC000587783737 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783839 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783841 JK Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587783854 JK Annotated Reactive COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587783855 JK Annotated Reactive COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587783857 JK Annotated Reactive COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587783859 JK Annotated Reactive CC(C)COc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783862 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587783864 JK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c21 ZINC000587783889 JK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c21 ZINC000587783890 JK Annotated Clean FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783964 JK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783965 JK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587783968 JK Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587784079 JK Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1OC ZINC000587784083 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784122 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784123 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784150 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784151 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784162 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784163 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587784287 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587784288 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784292 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784293 JK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3c2)cc1N ZINC000587784302 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784362 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784363 JK Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c32)n1 ZINC000587784383 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784386 JK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784387 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784575 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784576 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784607 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784608 JK Annotated Anodyne Sc1nc(S)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 ZINC000587784633 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784636 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784638 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784642 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784643 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(Br)c2[nH]1 ZINC000587784653 JK Annotated Anodyne O=C1CCc2cc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3cc2N1 ZINC000587784656 JK Annotated Anodyne CN1CCN(c2ccc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3c2)CC1 ZINC000587784669 JK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784691 JK Annotated Clean c1ccc(COc2cccc(-c3ccc(Cc4nc5cc6c(cc5[nH]4)OCCCO6)cc3)c2)cc1 ZINC000587784693 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784694 JK Annotated Clean c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(-n6cnnn6)cc5[nH]4)cc3)c2)cc1 ZINC000587784708 JK Annotated Anodyne Brc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784712 JK Annotated Anodyne Brc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784713 JK Annotated Anodyne CCCOc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784918 JK Annotated Anodyne CCCOc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784919 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1)C(F)(F)F ZINC000587784989 JK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1)C(F)(F)F ZINC000587784990 JK Annotated Anodyne COc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O ZINC000587784997 JK Annotated Reactive COc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O ZINC000587784998 JK Annotated Reactive CCCCCCCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587785019 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587785020 JK Annotated Mild O=[N+]([O-])c1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587785030 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587785197 JK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587785198 JK Annotated Bother Clc1ncc(I)c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587785248 JK Annotated Anodyne Clc1ncc(I)c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587785249 JK Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785398 JK Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785399 JK Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785400 JK Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785401 JK Annotated Anodyne COc1cccc(C)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587785483 JK Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1OC ZINC000587785646 JK Annotated Reactive COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1O ZINC000587785655 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Br ZINC000587785664 JK Annotated Mild COC(=O)c1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587785808 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)cc2[nH]1 ZINC000587785830 JK Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587785871 JK Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587785872 JK Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587785873 JK Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587785874 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587785966 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587785973 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(Cl)c2[nH]1 ZINC000587786035 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587786051 JK Annotated Anodyne COc1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1O ZINC000587786095 JK Annotated Bother COc1cccc(C)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587786112 JK Annotated Bother COc1ccc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1O ZINC000587786120 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587786161 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587786166 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1O ZINC000587786170 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)cc1O ZINC000587786179 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2cc1Br ZINC000587786195 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587786247 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587786265 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587786321 JK Annotated Reactive COc1ccc(C)cc1C(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587786503 JK Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587786594 JK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(-c6ccc(OC)c(O)c6)c5)[nH]c4c3)o2)cc1 ZINC000587786603 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1O ZINC000587786608 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587786614 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2cc1Br ZINC000587786627 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587786656 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)cc1O ZINC000587786660 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587786781 JK Annotated Anodyne COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(OC)c1O ZINC000587786859 JK Annotated Reactive COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587786908 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587786913 JK Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587786939 JK Annotated Anodyne C=CCc1cccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c12 ZINC000587786978 JK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1Br ZINC000587787033 JK Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587787055 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3ccccc3cc2[nH]1 ZINC000587787073 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587787089 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1O ZINC000587787179 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1O ZINC000587787208 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1O ZINC000587787240 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587787565 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cc1O ZINC000587787592 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1O ZINC000587787594 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587787597 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587787647 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587787651 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1O ZINC000587787731 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(C=O)ccc3OC)[nH]c2cc1Br ZINC000587787814 JK Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587787824 JK Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c1OC ZINC000587787881 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587787941 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587788117 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587788132 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587788137 JK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587788165 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(SC)cc2[nH]1 ZINC000587788174 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587788198 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCC(=O)c5cc(C)ccc5OC)[nH]c4c3)o2)cc1 ZINC000587788216 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587788238 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587788239 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587788254 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587788262 JK Annotated Bother COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c1C ZINC000587788272 JK Annotated Reactive COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587788295 JK Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587788300 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587788301 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587788304 JK Annotated Anodyne COc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(OC)c1C ZINC000587788306 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587788343 JK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587788351 JK Annotated Anodyne COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(OC)c1C ZINC000587788359 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCOC ZINC000587788805 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCOC ZINC000587788809 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCOC ZINC000587788811 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCOC ZINC000587788814 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788843 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788844 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788845 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788847 JK Annotated Clean CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789047 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789048 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789049 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789050 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587789059 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587789060 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587789061 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587789062 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587789075 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587789076 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587789077 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587789078 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789095 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789096 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789098 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789099 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCOC ZINC000587789302 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCOC ZINC000587789303 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCOC ZINC000587789304 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCOC ZINC000587789305 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789315 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789338 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789339 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789340 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789346 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789347 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789348 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789349 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789350 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789351 JK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789352 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789354 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587789420 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587789423 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587789425 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587789427 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587789587 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)noc1C ZINC000587789595 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587789596 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)noc1C ZINC000587789598 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587789599 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)noc1C ZINC000587789600 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587789602 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)noc1C ZINC000587789604 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C1\C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587789661 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C1/C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587789672 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C1/C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587789676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C1\C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587789679 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789740 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789744 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789747 JK Annotated Anodyne CCOC(=O)CCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789751 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789803 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789820 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789825 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789827 JK Annotated Mild CCCCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587789900 JK Annotated Anodyne CCCCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587789914 JK Annotated Anodyne CCCCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587789917 JK Annotated Anodyne CCCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587789920 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587789979 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587789987 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587789988 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587789989 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790003 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790004 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790005 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790007 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587790029 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587790030 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587790031 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587790032 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587790075 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587790076 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587790077 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587790078 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790105 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790109 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790111 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790113 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C1/Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587790118 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C1\Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587790121 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C1/Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587790124 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C1\Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587790125 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587790146 JK Annotated Clean CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790150 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790151 JK Annotated Anodyne CC(C)O[C@@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790152 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587790153 JK Annotated Clean CC(C)O[C@@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790154 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587790156 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587790157 JK Annotated Clean COC(OC)(c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790180 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790183 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790184 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790185 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587790387 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587790389 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587790390 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587790391 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587790392 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587790393 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587790394 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587790395 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587790407 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587790409 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccccc1)Nc1ccccc12 ZINC000587790412 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccccc1)Nc1ccccc12 ZINC000587790414 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790507 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790509 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790510 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790511 JK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Br ZINC000587790548 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587790603 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587790604 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587790605 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587790606 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587790645 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587790646 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587790647 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1)c1ccccc1 ZINC000587790648 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C1\C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587790657 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C1/C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587790658 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C1/C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587790659 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C1\C(=O)Nc3ccccc31)Nc1ccccc12 ZINC000587790660 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587790711 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587790712 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587790713 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587790714 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1 ZINC000587790715 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1 ZINC000587790716 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1 ZINC000587790717 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1 ZINC000587790718 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587790723 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587790724 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587790725 JK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587790726 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587790735 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587790736 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587790737 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587790738 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587790995 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587790996 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587790998 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587791000 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@@H]4N[C@H](C)Cc5ccc(F)c(Br)c54)cc23)cc1 ZINC000587791066 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@H]4N[C@@H](C)Cc5ccc(F)c(Br)c54)cc23)cc1 ZINC000587791069 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@@H]4N[C@@H](C)Cc5ccc(F)c(Br)c54)cc23)cc1 ZINC000587791071 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@H]4N[C@H](C)Cc5ccc(F)c(Br)c54)cc23)cc1 ZINC000587791074 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587791113 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587791115 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587791117 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587791119 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791126 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791127 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791128 JK Annotated Anodyne Cc1ccc(-c2ccc(OC[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791130 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587791182 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587791184 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587791187 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587791189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587791279 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587791280 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587791281 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587791282 JK Annotated Clean CCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587791298 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587791304 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587791306 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587791307 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587791352 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587791353 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587791354 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587791355 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791403 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791406 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791408 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791409 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587791455 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587791456 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587791457 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587791458 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791484 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791489 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791491 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791493 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791648 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791659 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791663 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791668 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587791761 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587791762 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587791763 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587791764 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587791811 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587791813 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587791816 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587791818 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1 ZINC000587791915 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1 ZINC000587791916 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1 ZINC000587791917 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1 ZINC000587791918 JK Annotated Anodyne CCCCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587791919 JK Annotated Anodyne CCCCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587791920 JK Annotated Anodyne CCCCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587791921 JK Annotated Anodyne CCCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587791922 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587791939 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587791940 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587791941 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587791942 JK Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791984 JK Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791986 JK Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791988 JK Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791990 JK Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791991 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc(-c3ccccc3)cc2)N1 ZINC000587791992 JK Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791993 JK Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791994 JK Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791995 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791996 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc(-c3ccccc3)cc2)N1 ZINC000587791998 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792001 JK Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792051 JK Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792054 JK Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792057 JK Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792059 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792072 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792076 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792078 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792081 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792096 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792105 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792108 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792110 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792139 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587792142 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587792143 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587792144 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792145 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587792146 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792147 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792149 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587792163 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587792166 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587792169 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587792172 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587792330 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587792334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587792337 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587792338 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792536 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792538 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792541 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792543 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792680 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792683 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792684 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792685 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587792686 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587792691 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587792692 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587792693 JK Annotated Anodyne CCCCCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587792784 JK Annotated Mild CCCCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587792795 JK Annotated Mild CCCCCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587792797 JK Annotated Mild CCCCCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587792800 JK Annotated Mild CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792843 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792849 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792853 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792858 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587792862 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587792864 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587792868 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587792871 JK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587792958 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587792960 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587792962 JK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587792963 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587792987 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587792993 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587792997 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587793002 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587793037 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587793041 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587793045 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccccc3)nn3ccccc23)N1 ZINC000587793047 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587793063 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587793068 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587793071 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587793075 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587793115 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587793117 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587793119 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccc(C(C)(C)C)cc1)N1CCC2CC1 ZINC000587793121 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793267 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793268 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793269 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793270 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793293 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793304 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793306 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793307 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793309 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793310 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793312 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793313 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587793317 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587793319 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587793321 JK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587793323 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587793333 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587793335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587793337 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587793339 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc(-c3ccccc3)cc2)N1 ZINC000587793351 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793353 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc(-c3ccccc3)cc2)N1 ZINC000587793355 JK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793357 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793447 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793449 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793451 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793453 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587793580 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587793581 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587793582 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587793583 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587793704 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587793705 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccccc1)Nc1ccccc12 ZINC000587793706 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccccc1)Nc1ccccc12 ZINC000587793707 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587793730 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587793732 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587793734 JK Annotated Anodyne CCCCCOc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587793735 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587793797 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587793798 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587793799 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587793800 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793808 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793809 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793810 JK Annotated Anodyne Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793811 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793903 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793916 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793917 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793919 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793920 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793921 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793923 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793924 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793972 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793974 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793977 JK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793981 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587793996 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587794002 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587794006 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587794007 JK Annotated Clean COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587794009 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587794011 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587794012 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587794013 JK Annotated Clean COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587794015 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587794017 JK Annotated Clean COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587794018 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)N1 ZINC000587794022 JK Annotated Clean C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC(C)C ZINC000587794026 JK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC(C)C ZINC000587794035 JK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC(C)C ZINC000587794037 JK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC(C)C ZINC000587794039 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1N[C@@H]2c1ccccc1 ZINC000587794308 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1N[C@@H]2c1ccccc1 ZINC000587794309 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1N[C@H]2c1ccccc1 ZINC000587794310 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1N[C@H]2c1ccccc1 ZINC000587794311 JK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794434 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794436 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794438 JK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794440 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587794450 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587794453 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587794456 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)N1 ZINC000587794458 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794459 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794460 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794461 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794462 JK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794623 JK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794632 JK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794634 JK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794636 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794692 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794694 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794696 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794698 JK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794713 JK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794714 JK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794715 JK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794716 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794737 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794740 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794742 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794745 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794749 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794752 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794754 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)N1 ZINC000587794756 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794772 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794773 JK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794774 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794775 JK Annotated Anodyne CC(C)O[C@@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794776 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794777 JK Annotated Anodyne CC(C)O[C@@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794778 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794779 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587794780 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587794782 JK Annotated Anodyne CCOc1cc(OCC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587794814 JK Annotated Anodyne CCOc1cc(OCC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587794815 JK Annotated Anodyne CCOc1cc(OCC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587794816 JK Annotated Anodyne CCOc1cc(OCC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587794817 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794838 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794839 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794840 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794841 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587794892 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587794893 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587794894 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc23)N1 ZINC000587794895 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587794912 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587794913 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587794914 JK Annotated Anodyne CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587794915 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587794916 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587794917 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587794918 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587794919 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794920 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794921 JK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794922 JK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794923 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587794968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587794969 JK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC(C)C ZINC000587795016 JK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC(C)C ZINC000587795018 JK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC(C)C ZINC000587795020 JK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC(C)C ZINC000587795022 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587795054 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587795055 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587795056 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587795057 JK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCCC ZINC000587795058 JK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCCC ZINC000587795060 JK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCCC ZINC000587795062 JK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCCC ZINC000587795065 JK Annotated Mild CC(C)Oc1cccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795186 JK Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795190 JK Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795193 JK Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795198 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1 ZINC000587795204 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1 ZINC000587795207 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1 ZINC000587795210 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1 ZINC000587795213 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587795272 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587795324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587795328 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587795331 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1 ZINC000587795604 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1 ZINC000587795605 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1 ZINC000587795606 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1 ZINC000587795607 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587795640 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587795641 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587795642 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587795643 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587795684 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587795685 JK Annotated Anodyne CCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587795687 JK Annotated Anodyne CCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587795689 JK Annotated Anodyne CCCCCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587795717 JK Annotated Mild CCCCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587795720 JK Annotated Mild CCCCCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587795723 JK Annotated Mild CCCCCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587795726 JK Annotated Mild CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587795742 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587795745 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587795748 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587795750 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795759 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795761 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795764 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795768 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795786 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795788 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795791 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795794 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795808 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795824 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795828 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795832 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795836 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795839 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795844 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795849 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1N[C@@H]2c1ccccc1 ZINC000587795850 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1N[C@@H]2c1ccccc1 ZINC000587795854 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1N[C@H]2c1ccccc1 ZINC000587795861 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1N[C@H]2c1ccccc1 ZINC000587795868 JK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587795879 JK Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587795886 JK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587795888 JK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000587795891 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795977 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795980 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795983 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795986 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795993 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795998 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587796003 JK Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587796006 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587796013 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587796015 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587796016 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc3c(c2)NC(=O)CO3)N1 ZINC000587796018 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796048 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796049 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796050 JK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796051 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796056 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796057 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796058 JK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796059 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@@H]4N[C@H](C)Cc5cc(Br)c(F)cc54)cc23)cc1 ZINC000587796118 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@H]4N[C@@H](C)Cc5cc(Br)c(F)cc54)cc23)cc1 ZINC000587796119 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@@H]4N[C@@H](C)Cc5cc(Br)c(F)cc54)cc23)cc1 ZINC000587796120 JK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@H]4N[C@H](C)Cc5cc(Br)c(F)cc54)cc23)cc1 ZINC000587796121 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796153 JK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796155 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796157 JK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587796158 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587796285 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587796286 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587796287 JK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587796288 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796509 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796511 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796513 JK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796515 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796517 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796519 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796522 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796524 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587796676 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587796677 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587796678 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(-c3ccccc3)[nH]oc2=O)N1 ZINC000587796679 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587796706 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587796707 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587796708 JK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587796709 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796782 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796784 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796786 JK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587796814 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587796815 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587796817 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3c(cc4c2=Nc2ccccc2-4)=Nc2ccccc2-3)N1 ZINC000587796819 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797068 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797071 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797074 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797077 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797266 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797268 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797270 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797272 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587797331 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587797333 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587797336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc(C=O)cc2)(c2ccccc2)N1 ZINC000587797339 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797348 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797350 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797352 JK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797354 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587797436 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587797438 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587797439 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587797442 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587797520 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587797521 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587797522 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCc3ccccc3)c2)N1 ZINC000587797523 JK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCCC ZINC000587797635 JK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCCC ZINC000587797637 JK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCCC ZINC000587797639 JK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCCC ZINC000587797641 JK Annotated Mild C=CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587797701 JK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587797703 JK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587797704 JK Annotated Mild C=CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587797706 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587797896 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587797897 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587797898 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)c3ccccc3)cc2)N1 ZINC000587797899 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797957 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797959 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797961 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797965 JK Annotated Mild CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797995 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797997 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798000 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798001 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587798053 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587798056 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587798059 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCOc3ccc(C=O)cc3)cc2)N1 ZINC000587798062 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798080 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798084 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798088 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587798090 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798091 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587798095 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587798099 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587798103 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798125 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798128 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798130 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798132 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798136 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798168 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798170 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798171 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798184 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798185 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798186 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798187 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587798220 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587798221 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587798222 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587798223 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587798232 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587798233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587798234 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@@H](C(=O)O)c3ccccc3)c2)N1 ZINC000587798235 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587798252 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587798253 JK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587798254 JK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587798255 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C1/Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587798292 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C1\Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587798293 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C1/Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587798294 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C1\Nc3ccccc3C1=O)Nc1ccccc12 ZINC000587798295 JK Annotated Mild COc1ccc(OC)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1OC ZINC000587798315 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)noc1C ZINC000587798350 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)noc1C ZINC000587798351 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)noc1C ZINC000587798352 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)noc1C ZINC000587798353 JK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCCC ZINC000587798456 JK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCCC ZINC000587798457 JK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCCC ZINC000587798458 JK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCCC ZINC000587798460 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587798484 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587798487 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587798489 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCOC(=O)c2ccc(O)cc2)(c2ccccc2)N1 ZINC000587798492 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798529 JK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798532 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798534 JK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798536 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798539 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798542 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798545 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798548 JK Annotated Anodyne C=CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587798572 JK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587798574 JK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587798576 JK Annotated Mild C=CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587798578 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587798666 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587798667 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587798668 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587798669 JK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCCC ZINC000587798773 JK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCCC ZINC000587798775 JK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCCC ZINC000587798776 JK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCCC ZINC000587798778 JK Annotated Mild CCOC(=O)COc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798787 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798789 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798791 JK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798793 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798824 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798827 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798829 JK Annotated Anodyne CCCC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798832 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798851 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798852 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798854 JK Annotated Anodyne CCCC[C@H](CC)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798856 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798998 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798999 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799000 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799001 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(C)c1 ZINC000587799095 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(C)c1 ZINC000587799098 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(C)c1 ZINC000587799100 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(C)c1 ZINC000587799102 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587799164 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587799165 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587799166 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587799167 JK Annotated Clean COc1ccc(OCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587799180 JK Annotated Anodyne COc1ccc(OCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587799181 JK Annotated Anodyne COc1ccc(OCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587799182 JK Annotated Anodyne COc1ccc(OCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587799183 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799198 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799200 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799201 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799202 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587799220 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587799222 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587799224 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587799225 JK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587799299 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587799307 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587799310 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587799313 JK Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799324 JK Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799326 JK Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799328 JK Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799330 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587799405 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587799406 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587799407 JK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587799408 JK Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799614 JK Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799615 JK Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799616 JK Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799617 JK Annotated Mild Cc1cccc(COc2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C)c1 ZINC000587799622 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C)c1 ZINC000587799624 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C)c1 ZINC000587799626 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C)c1 ZINC000587799628 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799640 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799642 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799644 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799645 JK Annotated Anodyne CCOc1cc(OCC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587799646 JK Annotated Anodyne CCOc1cc(OCC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587799648 JK Annotated Anodyne CCOc1cc(OCC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587799650 JK Annotated Anodyne CCOc1cc(OCC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587799652 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587799655 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587799657 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587799659 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587799662 JK Annotated Anodyne C=CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587799672 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587799685 JK Annotated Mild C=CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587799686 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587799687 JK Annotated Mild Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587799714 JK Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587799715 JK Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587799716 JK Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587799717 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C=O)c1 ZINC000587799718 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C=O)c1 ZINC000587799719 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C=O)c1 ZINC000587799720 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C=O)c1 ZINC000587799721 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1C ZINC000587799734 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1C ZINC000587799735 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1C ZINC000587799736 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccccc1C ZINC000587799737 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(C)cc1 ZINC000587799738 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(C)cc1 ZINC000587799739 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(C)cc1 ZINC000587799740 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(C)cc1 ZINC000587799741 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587799742 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587799743 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587799744 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 ZINC000587799745 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587799758 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587799759 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587799760 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587799761 JK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587799768 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587799769 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587799770 JK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587799771 JK Annotated Mild CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799873 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799875 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799876 JK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799877 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799922 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799923 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799924 JK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799925 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799932 JK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799933 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799934 JK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799935 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587799966 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587799967 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587799968 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587799969 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799970 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799971 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799972 JK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799973 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799982 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799983 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799984 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799985 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1 ZINC000587800002 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1 ZINC000587800003 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1 ZINC000587800004 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1 ZINC000587800005 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccccc1 ZINC000587800014 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccccc1 ZINC000587800015 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccccc1 ZINC000587800016 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccccc1 ZINC000587800017 JK Annotated Anodyne Cc1ccc(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587800018 JK Annotated Clean Cc1ccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587800019 JK Annotated Clean Cc1ccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587800020 JK Annotated Clean Cc1ccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587800021 JK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(C)c1 ZINC000587800030 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(C)c1 ZINC000587800031 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(C)c1 ZINC000587800032 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(C)c1 ZINC000587800033 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800038 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800039 JK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800040 JK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800041 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800194 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800196 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800197 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800199 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800201 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800205 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800210 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800214 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800217 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800218 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800219 JK Annotated Anodyne CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800220 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800302 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800303 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800304 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800305 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C ZINC000587800334 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C ZINC000587800335 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C ZINC000587800336 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C ZINC000587800337 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800338 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800339 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800340 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800341 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587800350 JK Annotated Clean CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587800351 JK Annotated Clean CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587800352 JK Annotated Clean CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587800353 JK Annotated Clean COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800366 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800367 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800368 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800369 JK Annotated Anodyne COc1ccc(OCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587800370 JK Annotated Anodyne COc1ccc(OCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587800371 JK Annotated Anodyne COc1ccc(OCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587800372 JK Annotated Anodyne COc1ccc(OCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587800373 JK Annotated Anodyne C=CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587800382 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587800383 JK Annotated Mild C=CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587800384 JK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587800385 JK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C=O ZINC000587800402 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C=O ZINC000587800403 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C=O ZINC000587800404 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C=O ZINC000587800405 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800410 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800411 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800412 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587800413 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800448 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800449 JK Annotated Anodyne CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800450 JK Annotated Anodyne CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800451 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800464 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800465 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800466 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800467 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800522 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800523 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800524 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800525 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800547 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800548 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800550 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800552 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587800562 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587800564 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587800565 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587800566 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)C)cc1 ZINC000587800580 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)C)cc1 ZINC000587800584 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)C)cc1 ZINC000587800586 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)C)cc1 ZINC000587800588 JK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800618 JK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800620 JK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800622 JK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800624 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C)c1C ZINC000587800626 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C)c1C ZINC000587800628 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C)c1C ZINC000587800630 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C)c1C ZINC000587800632 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1 ZINC000587800634 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1 ZINC000587800650 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1 ZINC000587800652 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCc1ccccc1 ZINC000587800653 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587800666 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587800669 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587800671 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587800673 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800684 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800687 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800689 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800691 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800735 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800737 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800739 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800741 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800772 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800773 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800774 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800775 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800792 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800793 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800794 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800795 JK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587800854 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587800855 JK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587800856 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587800857 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800875 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800877 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800879 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800881 JK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587800906 JK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587800908 JK Annotated Anodyne COc1cccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587800910 JK Annotated Anodyne COc1cccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587800912 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1 ZINC000587800922 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1 ZINC000587800924 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1 ZINC000587800926 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1 ZINC000587800928 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800940 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800942 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800944 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800945 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800947 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800949 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800951 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800953 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587800955 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587800957 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587800959 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587800962 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(C)c1 ZINC000587800963 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(C)c1 ZINC000587800965 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(C)c1 ZINC000587800967 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(C)c1 ZINC000587800969 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800975 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800977 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800979 JK Annotated Anodyne COc1cc(OCc2ccccc2)cc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800981 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800987 JK Annotated Anodyne COc1cccc(COc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587800992 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800993 JK Annotated Anodyne COc1cccc(COc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587800994 JK Annotated Anodyne COc1cccc(COc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587800995 JK Annotated Anodyne COc1cccc(COc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587800996 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800997 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801002 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801004 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801008 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801009 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801010 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587801063 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587801064 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587801065 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587801066 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801091 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801092 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801093 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801094 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1C ZINC000587801107 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1C ZINC000587801108 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1C ZINC000587801109 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1C ZINC000587801110 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1OC ZINC000587801115 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1OC ZINC000587801116 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1OC ZINC000587801117 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1OC ZINC000587801118 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587801123 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587801124 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587801125 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587801126 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1C ZINC000587801141 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1C ZINC000587801142 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1C ZINC000587801143 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1C ZINC000587801144 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587801149 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587801150 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587801151 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587801152 JK Annotated Anodyne CCc1ccc(OCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587801157 JK Annotated Anodyne CCc1ccc(OCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587801158 JK Annotated Anodyne CCc1ccc(OCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587801159 JK Annotated Anodyne CCc1ccc(OCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)cc1 ZINC000587801160 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587801173 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587801174 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587801175 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587801176 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC/C=C\c2ccccc2)N1 ZINC000587801181 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC/C=C/c2ccccc2)N1 ZINC000587801182 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC/C=C/c2ccccc2)N1 ZINC000587801183 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC/C=C\c2ccccc2)N1 ZINC000587801184 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1OC ZINC000587801197 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1OC ZINC000587801198 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801231 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801232 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801233 JK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801234 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801267 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801268 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801269 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801270 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587801287 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587801288 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587801289 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587801290 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801291 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801292 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801293 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801294 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1OC ZINC000587801299 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1OC ZINC000587801300 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C=O)c1 ZINC000587801301 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C=O)c1 ZINC000587801302 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C=O)c1 ZINC000587801303 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C=O)c1 ZINC000587801304 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCc2ccccc2)c1OC ZINC000587801317 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCc2ccccc2)c1OC ZINC000587801318 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCc2ccccc2)c1OC ZINC000587801319 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCc2ccccc2)c1OC ZINC000587801320 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC/C=C\c2ccccc2)N1 ZINC000587801349 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC/C=C/c2ccccc2)N1 ZINC000587801350 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC/C=C/c2ccccc2)N1 ZINC000587801351 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC/C=C\c2ccccc2)N1 ZINC000587801352 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C ZINC000587801357 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C ZINC000587801358 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C ZINC000587801359 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C ZINC000587801360 JK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587801369 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587801370 JK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587801371 JK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587801372 JK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1 ZINC000587801381 JK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1 ZINC000587801382 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1 ZINC000587801383 JK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCc1ccccc1 ZINC000587801384 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)cc(C)c1 ZINC000587801389 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)cc(C)c1 ZINC000587801390 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)cc(C)c1 ZINC000587801391 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)cc(C)c1 ZINC000587801392 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801423 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801424 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801425 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801426 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801427 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801428 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801429 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801430 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801471 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801472 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801473 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801474 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801521 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801522 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801523 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801524 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801525 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801526 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801527 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801528 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1 ZINC000587801553 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1 ZINC000587801554 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1 ZINC000587801555 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1 ZINC000587801556 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587801585 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587801586 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587801587 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587801588 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCc2ccccc2)c1OC ZINC000587801589 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCc2ccccc2)c1OC ZINC000587801590 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCc2ccccc2)c1OC ZINC000587801591 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCc2ccccc2)c1OC ZINC000587801592 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801597 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801598 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801615 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801616 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801617 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801618 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801624 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801626 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587801714 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587801715 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587801716 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587801717 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801722 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801723 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801724 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801725 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587801746 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587801747 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587801749 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587801752 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587801765 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587801767 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587801769 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1C ZINC000587801770 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(C)cccc1C ZINC000587801777 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(C)cccc1C ZINC000587801778 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(C)cccc1C ZINC000587801779 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(C)cccc1C ZINC000587801780 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)cc(C)c1 ZINC000587801789 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)cc(C)c1 ZINC000587801790 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)cc(C)c1 ZINC000587801791 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)cc(C)c1 ZINC000587801792 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587801797 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587801798 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587801799 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(C)cc1 ZINC000587801800 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801817 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801818 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801819 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801820 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801841 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801842 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801843 JK Annotated Anodyne Cc1ccccc1COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801844 JK Annotated Anodyne Cc1c(OCc2ccccc2)ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587801845 JK Annotated Clean Cc1c(OCc2ccccc2)ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587801846 JK Annotated Clean Cc1c(OCc2ccccc2)ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587801847 JK Annotated Clean Cc1c(OCc2ccccc2)ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587801848 JK Annotated Clean CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587801849 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587801850 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587801851 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1 ZINC000587801852 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587801853 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587801854 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587801855 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C)c1 ZINC000587801856 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801861 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801862 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801863 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801864 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(C)cc1 ZINC000587801865 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(C)cc1 ZINC000587801866 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(C)cc1 ZINC000587801867 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(C)cc1 ZINC000587801868 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1 ZINC000587801869 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1 ZINC000587801870 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1 ZINC000587801871 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1 ZINC000587801872 JK Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801877 JK Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801878 JK Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801879 JK Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCc2ccccc2)c1 ZINC000587801880 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C)c1C ZINC000587801881 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C)c1C ZINC000587801882 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C)c1C ZINC000587801883 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C)c1C ZINC000587801884 JK Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801897 JK Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801898 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801907 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801908 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801909 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587801910 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587801955 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587801956 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587801957 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587801958 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587801971 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587801972 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587801973 JK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587801974 JK Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801999 JK Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802000 JK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1C ZINC000587802001 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1C ZINC000587802002 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1C ZINC000587802003 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccccc1C ZINC000587802004 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(C(=O)O)cc2)N1 ZINC000587802005 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(C(=O)O)cc2)N1 ZINC000587802006 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(C(=O)O)cc2)N1 ZINC000587802007 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(C(=O)O)cc2)N1 ZINC000587802008 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802013 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802014 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802015 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802016 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(C)cccc1C ZINC000587802021 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(C)cccc1C ZINC000587802022 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(C)cccc1C ZINC000587802023 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(C)cccc1C ZINC000587802024 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587802037 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587802038 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587802039 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587802040 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587802041 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587802042 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587802043 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587802044 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)C)cc1 ZINC000587802049 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)C)cc1 ZINC000587802050 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)C)cc1 ZINC000587802051 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)C)cc1 ZINC000587802052 JK Annotated Anodyne C=CCc1ccccc1OCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587802069 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587802070 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587802071 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587802072 JK Annotated Mild COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(C)cc1 ZINC000587802073 JK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(C)cc1 ZINC000587802074 JK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(C)cc1 ZINC000587802075 JK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(C)cc1 ZINC000587802076 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587802081 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587802082 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587802083 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587802084 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587802085 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587802086 JK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587802087 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 ZINC000587802088 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C ZINC000587802089 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C ZINC000587802090 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C ZINC000587802091 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C ZINC000587802092 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587802103 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587802104 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587802105 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587802106 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587802143 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587802144 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587802145 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587802146 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802163 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802164 JK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c4ncccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802165 JK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c4ncccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802166 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587802167 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587802168 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587802169 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587802170 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802171 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802172 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802173 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802174 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802217 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802218 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802219 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802220 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802249 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802250 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802251 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802252 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802261 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802262 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802263 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802264 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802273 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802274 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802275 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802276 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802277 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802278 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802279 JK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587802280 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1C ZINC000587802285 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1C ZINC000587802286 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1C ZINC000587802287 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1C ZINC000587802288 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1 ZINC000587802289 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1 ZINC000587802290 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1 ZINC000587802291 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1 ZINC000587802292 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587802339 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587802340 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587802341 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(OCc4ccccc4)cccc23)N1 ZINC000587802342 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802409 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802410 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802411 JK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802412 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587802429 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587802430 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587802431 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587802432 JK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587802455 JK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587802456 JK Annotated Anodyne COc1cccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587802457 JK Annotated Anodyne COc1cccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587802458 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802463 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802464 JK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802465 JK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802466 JK Annotated Anodyne C=CCc1ccccc1OCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587802467 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587802468 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587802469 JK Annotated Mild C=CCc1ccccc1OCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587802470 JK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802479 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802480 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802481 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802482 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802483 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802484 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802485 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802486 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587802503 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587802504 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587802505 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587802506 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587802515 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587802516 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587802517 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587802518 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802571 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802572 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802573 JK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802574 JK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802615 JK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802616 JK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802617 JK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802618 JK Annotated Anodyne COc1cccc(COc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587802619 JK Annotated Anodyne COc1cccc(COc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587802620 JK Annotated Anodyne COc1cccc(COc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587802621 JK Annotated Anodyne COc1cccc(COc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587802622 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587802627 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587802628 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587802629 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587802630 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802643 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802644 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802645 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587802646 JK Annotated Anodyne COc1cccc(COc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802659 JK Annotated Anodyne COc1cccc(COc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802660 JK Annotated Anodyne COc1cccc(COc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802661 JK Annotated Anodyne COc1cccc(COc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802662 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802663 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802664 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802665 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3ccccc3)ccc3ccccc23)N1 ZINC000587802666 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587802687 JK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587802688 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587802689 JK Annotated Anodyne COc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587802690 JK Annotated Anodyne CCc1ccc(OCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587802709 JK Annotated Anodyne CCc1ccc(OCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587802711 JK Annotated Anodyne CCc1ccc(OCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587802713 JK Annotated Anodyne CCc1ccc(OCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)cc1 ZINC000587802715 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587802745 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587802747 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587802749 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1 ZINC000587802751 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802761 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802763 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802765 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCC(=O)OCc3ccccc3)c2)N1 ZINC000587802768 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C=O ZINC000587802770 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C=O ZINC000587802771 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C=O ZINC000587802773 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C=O ZINC000587802775 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802882 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802883 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802885 JK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802886 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1 ZINC000587803032 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1 ZINC000587803033 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1 ZINC000587803034 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1 ZINC000587803035 JK Annotated Anodyne COc1cccc(OCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587803040 JK Annotated Anodyne COc1cccc(OCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587803041 JK Annotated Anodyne COc1cccc(OCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587803042 JK Annotated Anodyne COc1cccc(OCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2OC)c1 ZINC000587803043 JK Annotated Anodyne Cc1ccc(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587803056 JK Annotated Clean Cc1ccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587803057 JK Annotated Clean Cc1ccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587803059 JK Annotated Clean Cc1ccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587803060 JK Annotated Clean CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587803061 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587803062 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587803063 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1 ZINC000587803064 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(C)cc1 ZINC000587803069 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(C)cc1 ZINC000587803070 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(C)cc1 ZINC000587803072 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(C)cc1 ZINC000587803073 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587803079 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587803080 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587803081 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(C(=O)O)c3)c2)N1 ZINC000587803083 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587803095 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587803096 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587803097 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587803098 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587803099 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587803101 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587803103 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1C ZINC000587803104 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803113 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803114 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803115 JK Annotated Anodyne Cc1cc(OCc2ccccc2)cc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803116 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587803339 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587803340 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587803341 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)N1 ZINC000587803342 JK Annotated Anodyne CCCCCCCCCCC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803363 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803367 JK Annotated Mild CCCCCCCCCCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803369 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803370 JK Annotated Mild COC(=O)c1cccc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587803408 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587803409 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587803411 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587803412 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587803414 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587803418 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587803421 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)N1 ZINC000587803425 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803489 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803490 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803491 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803492 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587803507 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587803508 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587803509 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)N1 ZINC000587803510 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C)c1 ZINC000587803543 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C)c1 ZINC000587803544 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C)c1 ZINC000587803545 JK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C)c1 ZINC000587803546 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587803551 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587803552 JK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587803553 JK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587803554 JK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587803555 JK Annotated Clean CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587803556 JK Annotated Clean CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587803557 JK Annotated Clean CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587803558 JK Annotated Clean COc1cccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587803563 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587803564 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587803565 JK Annotated Anodyne COc1cccc(COc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587803566 JK Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587803575 JK Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587803576 JK Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587803577 JK Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587803578 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587803587 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587803588 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587803589 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2CCC(=O)OCc2ccccc2)N1 ZINC000587803590 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587803689 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587803691 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587803692 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587803693 JK Annotated Anodyne COc1cccc(OCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587803762 JK Annotated Anodyne COc1cccc(OCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587803764 JK Annotated Anodyne COc1cccc(OCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587803766 JK Annotated Anodyne COc1cccc(OCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587803768 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803770 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803772 JK Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803774 JK Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803776 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587803787 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587803795 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587803797 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587803801 JK Annotated Clean Cc1ccccc1COc1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587803860 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587803861 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587803863 JK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587803864 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587803866 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587803869 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587803872 JK Annotated Anodyne COc1cc(OCc2ccccc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587803874 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587803892 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803893 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803895 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587803896 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803897 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587803899 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587803901 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587803905 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C ZINC000587803923 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C ZINC000587803925 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C ZINC000587803928 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C ZINC000587803929 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587803951 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587803952 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587803953 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCc2ccccc2)c1 ZINC000587803954 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804044 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804046 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804047 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804049 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804057 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804060 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804063 JK Annotated Anodyne Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804064 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804088 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804090 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804091 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804093 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804136 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804137 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804138 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804139 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804144 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804145 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804146 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804147 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587804157 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587804159 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804160 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587804161 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587804162 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804163 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804164 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804166 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587804220 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587804222 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587804224 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587804226 JK Annotated Anodyne COc1cccc(COc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587804341 JK Annotated Anodyne COc1cccc(COc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587804342 JK Annotated Anodyne COc1cccc(COc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587804344 JK Annotated Anodyne COc1cccc(COc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2OC)c1 ZINC000587804345 JK Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804346 JK Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804348 JK Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804356 JK Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804358 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587804375 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587804377 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587804379 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3C(=O)O)c2)N1 ZINC000587804381 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804408 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804409 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804410 JK Annotated Anodyne COc1cc(OCc2ccccc2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804411 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804416 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804417 JK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804418 JK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804419 JK Annotated Anodyne Cc1c(OCc2ccccc2)ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587804424 JK Annotated Clean Cc1c(OCc2ccccc2)ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587804425 JK Annotated Clean Cc1c(OCc2ccccc2)ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587804426 JK Annotated Clean Cc1c(OCc2ccccc2)ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587804427 JK Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1C ZINC000587804432 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1C ZINC000587804433 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1C ZINC000587804434 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C)c1C ZINC000587804435 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(C)c1 ZINC000587804448 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(C)c1 ZINC000587804449 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(C)c1 ZINC000587804450 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(C)c1 ZINC000587804451 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804472 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804473 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804474 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804475 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587804476 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587804477 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587804478 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587804479 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804525 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804528 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804531 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804533 JK Annotated Anodyne COc1ccc([C@@]2(C3C(=O)c4ccccc4C3=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804645 JK Annotated Clean COc1ccc([C@]2(C3C(=O)c4ccccc4C3=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804651 JK Annotated Clean COc1ccc([C@@]2(C3C(=O)c4ccccc4C3=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804656 JK Annotated Clean COc1ccc([C@]2(C3C(=O)c4ccccc4C3=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804662 JK Annotated Clean COc1ccc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804842 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804843 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804844 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804845 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804880 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804881 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804882 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804883 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804884 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804885 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804886 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804887 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OC ZINC000587804904 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OC ZINC000587804905 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OC ZINC000587804906 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OC ZINC000587804907 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804983 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804984 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804985 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804986 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805003 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805004 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805005 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805006 JK Annotated Anodyne COC1=C(OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(CC=C(C)C)=C(C)C1=O ZINC000587805031 JK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(CC=C(C)C)=C(C)C1=O ZINC000587805032 JK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(CC=C(C)C)=C(C)C1=O ZINC000587805033 JK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(CC=C(C)C)=C(C)C1=O ZINC000587805034 JK Annotated Mild COC(=O)c1cccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805067 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805068 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805069 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805071 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587805089 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587805096 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587805099 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587805101 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587805125 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587805127 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587805130 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587805133 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805143 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805145 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805147 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805148 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587805209 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587805210 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587805211 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000587805212 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)OC(C)(C)C ZINC000587805247 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)OC(C)(C)C ZINC000587805248 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)OC(C)(C)C ZINC000587805249 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)OC(C)(C)C ZINC000587805251 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805252 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805255 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805256 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805258 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587805315 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587805317 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587805318 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587805319 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805353 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805354 JK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805355 JK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805356 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4N[C@@H](C)Cc5cc(Br)c(F)cc54)c(C)c3c2c1 ZINC000587805365 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4N[C@H](C)Cc5cc(Br)c(F)cc54)c(C)c3c2c1 ZINC000587805366 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4N[C@H](C)Cc5cc(Br)c(F)cc54)c(C)c3c2c1 ZINC000587805367 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4N[C@@H](C)Cc5cc(Br)c(F)cc54)c(C)c3c2c1 ZINC000587805368 JK Annotated Anodyne COc1ccc(O)c([C@@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805439 JK Annotated Clean COc1ccc(O)c([C@@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805440 JK Annotated Clean COc1ccc(O)c([C@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805441 JK Annotated Clean COc1ccc(O)c([C@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805442 JK Annotated Clean COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805455 JK Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805456 JK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805457 JK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805458 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805471 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805472 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805473 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805474 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587805483 JK Annotated Clean COC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587805484 JK Annotated Clean COC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587805485 JK Annotated Clean COC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2O)c1 ZINC000587805486 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C\c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805495 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C/c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805498 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C/c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805501 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C\c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805504 JK Annotated Clean COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805521 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805523 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805526 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805528 JK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1C=O ZINC000587805542 JK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1C=O ZINC000587805546 JK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1C=O ZINC000587805548 JK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1C=O ZINC000587805550 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805598 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805601 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805603 JK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805605 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805683 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805684 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805686 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805688 JK Annotated Anodyne COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805701 JK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805726 JK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805730 JK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805734 JK Annotated Clean COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805738 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805743 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805748 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805753 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805769 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805772 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805775 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805776 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805835 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805838 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805841 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805844 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805847 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805850 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805854 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805857 JK Annotated Anodyne COC1=C(OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC=C(C)C)C1=O ZINC000587805860 JK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC=C(C)C)C1=O ZINC000587805863 JK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC=C(C)C)C1=O ZINC000587805864 JK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC=C(C)C)C1=O ZINC000587805866 JK Annotated Mild COc1ccc(C[C@@]2(c3ccc(O)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805892 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(O)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805894 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(O)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805896 JK Annotated Clean COc1ccc(C[C@@]2(c3ccc(O)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805899 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587805988 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587805991 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805992 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805993 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805994 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587805995 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805996 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587805998 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4N[C@@H](C)Cc5ccc(F)c(Br)c54)c(C)c3c2c1 ZINC000587806032 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4N[C@H](C)Cc5ccc(F)c(Br)c54)c(C)c3c2c1 ZINC000587806036 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4N[C@H](C)Cc5ccc(F)c(Br)c54)c(C)c3c2c1 ZINC000587806040 JK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4N[C@@H](C)Cc5ccc(F)c(Br)c54)c(C)c3c2c1 ZINC000587806044 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806088 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806092 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806093 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806094 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806104 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806106 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806108 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587806122 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587806123 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587806124 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 ZINC000587806125 JK Annotated Anodyne COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806251 JK Annotated Clean COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806253 JK Annotated Clean COc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587806254 JK Annotated Anodyne COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806255 JK Annotated Clean COc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587806256 JK Annotated Anodyne COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806257 JK Annotated Clean COc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587806258 JK Annotated Anodyne COc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587806260 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806300 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806301 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806302 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806303 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806466 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806467 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806468 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1 ZINC000587806469 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587806487 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587806488 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587806490 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc4ccccc4c3)cc2)N1 ZINC000587806491 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806503 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806505 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806507 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806509 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806537 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806538 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806539 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806540 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587806557 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587806558 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587806559 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587806560 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806599 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806601 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806603 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806605 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587806617 JK Annotated Clean COC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587806620 JK Annotated Clean COC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587806622 JK Annotated Clean COC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2O)c1 ZINC000587806624 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587806643 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587806646 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587806647 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587806648 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806649 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806651 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806653 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806655 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806730 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806734 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806739 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806740 JK Annotated Clean COc1ccc(/C=C/[C@@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806741 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806742 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806743 JK Annotated Clean Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806744 JK Annotated Anodyne COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806768 JK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806769 JK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806771 JK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587806772 JK Annotated Clean CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806783 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806789 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806790 JK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806791 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806872 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806874 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806877 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N(C)c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806879 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)OC(C)(C)C ZINC000587806986 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)OC(C)(C)C ZINC000587806987 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)OC(C)(C)C ZINC000587806988 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)OC(C)(C)C ZINC000587806990 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587807002 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587807006 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587807009 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587807011 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807043 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807046 JK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807049 JK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807051 JK Annotated Anodyne COc1ccccc1C[C@@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807065 JK Annotated Clean COc1ccccc1C[C@]1(c2ccc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807067 JK Annotated Clean COc1ccccc1C[C@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807070 JK Annotated Clean COc1ccccc1C[C@@]1(c2ccc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807072 JK Annotated Clean COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807084 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807087 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807091 JK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807094 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807101 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807103 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807105 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807107 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807163 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807166 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807167 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807169 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807170 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807172 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587807173 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807174 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807176 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807179 JK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807182 JK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807187 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807217 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807221 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807224 JK Annotated Anodyne COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807226 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807267 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807268 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807269 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807270 JK Annotated Anodyne COc1cc(O)c([C@@]2(Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587807297 JK Annotated Clean COc1cc(O)c([C@@]2(Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587807298 JK Annotated Clean COc1cc(O)c([C@]2(Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587807299 JK Annotated Clean COc1cc(O)c([C@]2(Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587807300 JK Annotated Clean COc1ccc([C@]2(c3ccccc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807305 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807306 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807307 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807308 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587807401 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587807402 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587807405 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587807406 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807429 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807431 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587807479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587807480 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587807482 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)N1 ZINC000587807485 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807542 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807546 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807548 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807551 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807658 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807661 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807664 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807666 JK Annotated Anodyne COc1cccc(C(=O)C[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807678 JK Annotated Anodyne COc1cccc(C(=O)C[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807680 JK Annotated Anodyne COc1cccc(C(=O)C[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807681 JK Annotated Anodyne COc1cccc(C(=O)C[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807682 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807712 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807714 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807717 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587807718 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807720 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807721 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807722 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807723 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807724 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807725 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587807726 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807727 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807728 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc3ccccc3c2)N1 ZINC000587807729 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587807733 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587807737 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807752 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807755 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807757 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807759 JK Annotated Anodyne COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807772 JK Annotated Clean COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807773 JK Annotated Clean COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807774 JK Annotated Clean COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807775 JK Annotated Clean COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807784 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807785 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)CCC2 ZINC000587807856 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)CCC2 ZINC000587807857 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)CCC2 ZINC000587807858 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)CCC2 ZINC000587807859 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807880 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807881 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807882 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807883 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807956 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807957 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807958 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807959 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808007 JK Annotated Clean COc1ccc(C[C@@]2(c3ccc(OC)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808009 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(OC)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808010 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(OC)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808011 JK Annotated Clean COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587808020 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587808021 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587808022 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587808023 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808028 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808029 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808030 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808031 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808040 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808041 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808042 JK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808043 JK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808073 JK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808085 JK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808086 JK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808088 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808094 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808097 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808099 JK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587808101 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808109 JK Annotated Clean COc1ccc(/C=C/[C@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808114 JK Annotated Clean COc1ccc(/C=C/[C@@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808116 JK Annotated Clean COc1ccc(/C=C/[C@@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808118 JK Annotated Clean COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)CCC2 ZINC000587808123 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)CCC2 ZINC000587808125 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)CCC2 ZINC000587808133 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)CCC2 ZINC000587808135 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808136 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808138 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808140 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808142 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808144 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808146 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808148 JK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808149 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808161 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808163 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808165 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808167 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587808175 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587808179 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587808181 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587808184 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808186 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808188 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808190 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808192 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587808209 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587808210 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587808211 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c3ccccc3c2)N1 ZINC000587808214 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808246 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808248 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808250 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808252 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587808288 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587808289 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587808290 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)N1 ZINC000587808291 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808336 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808337 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808338 JK Annotated Anodyne CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808339 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808356 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808357 JK Annotated Anodyne Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808358 JK Annotated Anodyne Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808359 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587808372 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587808373 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587808374 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)c3c2[nH]c2ccc(C(=O)O)cc32)N1 ZINC000587808375 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808502 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808506 JK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808509 JK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808512 JK Annotated Anodyne COc1cc(O)c([C@@]2(Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587808513 JK Annotated Clean COc1cc(O)c([C@@]2(Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587808516 JK Annotated Clean COc1cc(O)c([C@]2(Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587808519 JK Annotated Clean COc1cc(O)c([C@]2(Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587808522 JK Annotated Clean COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808544 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808546 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808548 JK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808550 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587808696 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587808707 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587808711 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587808717 JK Annotated Anodyne COc1ccc(O)c([C@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808728 JK Annotated Clean COc1ccc(O)c([C@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808732 JK Annotated Clean COc1ccc(O)c([C@@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808736 JK Annotated Clean COc1ccc(O)c([C@@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808740 JK Annotated Clean COc1ccccc1C(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808777 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808780 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808781 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808783 JK Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808785 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808787 JK Annotated Anodyne COc1ccccc1C(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808789 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808790 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808944 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808945 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587808968 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587808970 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587808972 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587808973 JK Annotated Anodyne COc1ccccc1C[C@@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808993 JK Annotated Clean COc1ccccc1C[C@]1(c2ccc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808995 JK Annotated Clean COc1ccccc1C[C@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808999 JK Annotated Clean COc1ccccc1C[C@@]1(c2ccc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809001 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587809073 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587809074 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587809075 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587809076 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587809108 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587809111 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587809115 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)N1 ZINC000587809119 JK Annotated Anodyne COc1ccccc1/C=C/[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809134 JK Annotated Anodyne COc1ccccc1/C=C/[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809137 JK Annotated Anodyne COc1ccccc1/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809139 JK Annotated Anodyne COc1ccccc1/C=C\[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809142 JK Annotated Anodyne COc1ccccc1/C=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809144 JK Annotated Anodyne COc1ccccc1/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809146 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587809155 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587809156 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587809157 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587809158 JK Annotated Anodyne COc1cc(O)cc(O)c1[C@]1(/C=C/c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809204 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C\c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809206 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C/c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809207 JK Annotated Clean COc1cc(O)cc(O)c1[C@]1(/C=C\c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809208 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587809247 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809253 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809254 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809255 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809256 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587809258 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587809260 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587809262 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587809317 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587809318 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587809319 JK Annotated Anodyne COc1cc(-c2ccccc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587809320 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809364 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809366 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809371 JK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809374 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809377 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809385 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809387 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809390 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809393 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809408 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809411 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809413 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809416 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809419 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809422 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587809425 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809441 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809444 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809447 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809450 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809453 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809460 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809464 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809469 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809552 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809560 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809568 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809574 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809589 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809593 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809596 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809597 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809599 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809602 JK Annotated Anodyne CC[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809603 JK Annotated Anodyne CC[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809606 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587809624 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587809629 JK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587809634 JK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587809640 JK Annotated Anodyne COc1ccc([C@@]2(C3C(=O)c4ccccc4C3=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809671 JK Annotated Clean COc1ccc([C@]2(C3C(=O)c4ccccc4C3=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809674 JK Annotated Clean COc1ccc([C@@]2(C3C(=O)c4ccccc4C3=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809679 JK Annotated Clean COc1ccc([C@]2(C3C(=O)c4ccccc4C3=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809684 JK Annotated Clean COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OC ZINC000587809692 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OC ZINC000587809695 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OC ZINC000587809699 JK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OC ZINC000587809702 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809718 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809722 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809724 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809725 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587809734 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587809736 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587809737 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587809739 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809746 JK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809748 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809749 JK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809751 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809771 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809772 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809773 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809775 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587809794 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587809795 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587809796 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587809797 JK Annotated Anodyne CCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809871 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809887 JK Annotated Mild CCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809890 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809894 JK Annotated Mild COc1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1C=O ZINC000587809917 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809918 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809919 JK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1C=O ZINC000587809920 JK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1C=O ZINC000587809921 JK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1C=O ZINC000587809922 JK Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809969 JK Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809973 JK Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809979 JK Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809984 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587810076 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587810079 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587810083 JK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587810085 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810133 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810136 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810139 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810143 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587810147 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810148 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587810150 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810152 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587810155 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810156 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587810158 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810160 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810216 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810240 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810243 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810246 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587810290 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587810291 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587810292 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OC(=O)c2ccccc2)N1 ZINC000587810293 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810352 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810353 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810354 JK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810355 JK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810356 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810357 JK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810358 JK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810359 JK Annotated Anodyne CCCCC/C=C/[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810395 JK Annotated Anodyne CCCCC/C=C\[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810397 JK Annotated Anodyne CCCCC/C=C/[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810400 JK Annotated Anodyne CCCCC/C=C\[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810402 JK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810482 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810483 JK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810487 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810488 JK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810491 JK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810492 JK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810496 JK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810498 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587810607 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587810610 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587810613 JK Annotated Anodyne COc1cccc(C(=O)C[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810615 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(C(C)(C)C)cc2)N1 ZINC000587810617 JK Annotated Anodyne COc1cccc(C(=O)C[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810620 JK Annotated Anodyne COc1cccc(C(=O)C[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810624 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810625 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810627 JK Annotated Anodyne COc1cccc(C(=O)C[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810628 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810631 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810634 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810637 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810639 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810642 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810644 JK Annotated Anodyne COc1ccc(Oc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810648 JK Annotated Anodyne COc1ccc(Oc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587810650 JK Annotated Anodyne COc1ccccc1/C=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810804 JK Annotated Anodyne COc1ccccc1/C=C/[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810805 JK Annotated Anodyne CCCCC/C=C/[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810848 JK Annotated Anodyne CCCCC/C=C\[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810849 JK Annotated Anodyne CCCCC/C=C/[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810850 JK Annotated Anodyne CCCCC/C=C\[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810851 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810886 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810889 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810891 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810893 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810895 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810897 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810899 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810901 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587810911 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587810913 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587810918 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587810920 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587810959 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587810963 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587810965 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587810968 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810975 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810978 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810980 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810982 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587811017 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587811019 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587811020 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587811022 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587811027 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587811032 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587811033 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587811034 JK Annotated Anodyne COc1ccccc1/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811048 JK Annotated Anodyne COc1ccccc1/C=C\[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811051 JK Annotated Anodyne COc1ccccc1/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811053 JK Annotated Anodyne COc1ccccc1/C=C/[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811055 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811111 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811113 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811115 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811117 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811134 JK Annotated Clean COc1ccc(C[C@@]2(c3ccc(OC)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811135 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(OC)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811137 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(OC)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811138 JK Annotated Clean COc1ccc(O)c(C(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811165 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811166 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811167 JK Annotated Anodyne COc1ccc(O)c(C(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811169 JK Annotated Anodyne COC1=C(OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(CC=C(C)C)=C(C)C1=O ZINC000587811188 JK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(CC=C(C)C)=C(C)C1=O ZINC000587811191 JK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(CC=C(C)C)=C(C)C1=O ZINC000587811193 JK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(CC=C(C)C)=C(C)C1=O ZINC000587811195 JK Annotated Mild COc1ccc([C@]2(/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811197 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811198 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811199 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811200 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(O)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811201 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(O)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811202 JK Annotated Clean COc1ccc(C[C@]2(c3ccc(O)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811203 JK Annotated Clean COc1ccc(C[C@@]2(c3ccc(O)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811204 JK Annotated Clean COC(=O)c1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587811274 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587811275 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587811276 JK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587811277 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811294 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811295 JK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811296 JK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811297 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587811314 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587811315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587811316 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3cccc4ccccc34)cc2)N1 ZINC000587811317 JK Annotated Anodyne COc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587811331 JK Annotated Anodyne COc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587811332 JK Annotated Anodyne COc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587811333 JK Annotated Anodyne COc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000587811334 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811432 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811434 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811442 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811443 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811444 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811445 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587811450 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587811451 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587811452 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587811453 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811514 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811516 JK Annotated Anodyne COc1ccc([C@@]2(CCCCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811518 JK Annotated Anodyne COc1ccc([C@]2(CCCCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811520 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587811545 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587811549 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587811552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587811554 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587811556 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587811560 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587811564 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587811566 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587811599 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587811601 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587811604 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 ZINC000587811606 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811618 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811619 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811621 JK Annotated Anodyne COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811622 JK Annotated Anodyne COC1=C(OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC=C(C)C)C1=O ZINC000587811636 JK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC=C(C)C)C1=O ZINC000587811637 JK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC=C(C)C)C1=O ZINC000587811639 JK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC=C(C)C)C1=O ZINC000587811641 JK Annotated Mild COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811643 JK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811645 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811646 JK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811648 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811677 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811678 JK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811679 JK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811681 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811724 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811725 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811726 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811727 JK Annotated Mild Cc1ccc(C(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811744 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811745 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811746 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811747 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811754 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811756 JK Annotated Anodyne CCCCCCCCCCC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811763 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811764 JK Annotated Mild CCCCCCCCCCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811766 JK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811768 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587811820 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587811825 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587811829 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(OCc4ccccc4)cccc32)N1 ZINC000587811834 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811878 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811881 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811883 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811885 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811994 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811998 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811999 JK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812000 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812001 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812002 JK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812003 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812004 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812028 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812029 JK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812030 JK Annotated Anodyne COc1ccc(C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812033 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812035 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812037 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812038 JK Annotated Anodyne COc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812039 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812040 JK Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812041 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812042 JK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812043 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812054 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812055 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812056 JK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812057 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812094 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812095 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812096 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812097 JK Annotated Anodyne CCCCCCCCCC1(CCCCCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812138 JK Annotated Mild CCCCCCCCCC1(CCCCCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812139 JK Annotated Mild COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587812240 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587812241 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587812242 JK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587812243 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812249 JK Annotated Anodyne COc1ccc([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812250 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812252 JK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812253 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812295 JK Annotated Anodyne COc1cccc(C2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812297 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812298 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812300 JK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812301 JK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812303 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812305 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812307 JK Annotated Anodyne CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812310 JK Annotated Anodyne CCC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812314 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812316 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812318 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812319 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812320 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812322 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812323 JK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812324 JK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812325 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587812326 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587812329 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587812330 JK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587812333 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587812336 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587812339 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587812343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(OC(=O)c4ccccc4)cccc32)N1 ZINC000587812347 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812427 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812428 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812430 JK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812431 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812534 JK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587812535 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812656 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812657 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812658 JK Annotated Anodyne Cc1ccccc1C(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812664 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812665 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812666 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812667 JK Annotated Anodyne CCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812668 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812669 JK Annotated Mild CCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812670 JK Annotated Mild CCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812671 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587812724 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587812725 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587812726 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N1 ZINC000587812727 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812788 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812789 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812790 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812791 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812792 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812793 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812794 JK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812795 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812850 JK Annotated Mild CCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812851 JK Annotated Mild CCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812852 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812853 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812913 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812915 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812916 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812918 JK Annotated Mild Cc1ccc([C@@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812965 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812967 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812968 JK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812969 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813060 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813063 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813065 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813066 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813067 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813068 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813070 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813073 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587813099 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587813101 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587813103 JK Annotated Anodyne Cc1ccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587813104 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587813113 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587813117 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587813118 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587813119 JK Annotated Bother Cc1ccc([C@@]2(C(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813154 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813155 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813156 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813157 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813196 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813197 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813198 JK Annotated Anodyne Cc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813199 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813240 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813241 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813242 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813243 JK Annotated Anodyne CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813252 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813253 JK Annotated Mild CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813254 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813255 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587813324 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587813325 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587813326 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)N1 ZINC000587813327 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813450 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813451 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813452 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)c2ccccc2-3)N1 ZINC000587813453 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813488 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813489 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813490 JK Annotated Anodyne CC(C)c1ccc(C(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813491 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813701 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813702 JK Annotated Mild CCCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813703 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813704 JK Annotated Mild Cc1ccc(C(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813757 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813758 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813759 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813760 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813793 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587813795 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813796 JK Annotated Mild CCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813797 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813798 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587813800 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587813803 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587813805 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813846 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813848 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813851 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813855 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813857 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813859 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813862 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(CCc2ccccc2)(CCc2ccccc2)N1 ZINC000587813878 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(CCc2ccccc2)(CCc2ccccc2)N1 ZINC000587813879 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813916 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813917 JK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813918 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813919 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C(CCc2ccccc2)(CCc2ccccc2)N1 ZINC000587813944 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(CCc2ccccc2)(CCc2ccccc2)N1 ZINC000587813945 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587814079 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587814081 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587814083 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587814086 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(C(=O)c2ccccc2)(C(=O)c2ccccc2)N1 ZINC000587814114 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(C(=O)c2ccccc2)(C(=O)c2ccccc2)N1 ZINC000587814115 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814208 JK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814209 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814210 JK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814211 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814260 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814261 JK Annotated Anodyne CC(C)c1ccc([C@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814262 JK Annotated Anodyne CC(C)c1ccc([C@@]2(CC(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814263 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587814284 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587814285 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587814298 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587814299 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587814300 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587814301 JK Annotated Bother CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814389 JK Annotated Anodyne CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814391 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814392 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814394 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587814443 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587814444 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587814445 JK Annotated Anodyne Cc1cccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587814446 JK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814542 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814544 JK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814546 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814548 JK Annotated Mild Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587814616 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587814617 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587814618 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587814619 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587814714 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587814715 JK Annotated Anodyne Cc1ccc([C@]2(C(=O)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587814716 JK Annotated Anodyne Cc1ccc([C@@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587814717 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587814726 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587814729 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587814732 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587814734 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587814752 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814753 JK Annotated Anodyne Cc1ccc(CC2(Cc3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814754 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587814758 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814760 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587814761 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814762 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587814763 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814764 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814765 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814782 JK Annotated Mild CCCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814785 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814786 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814787 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814788 JK Annotated Mild CCCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814789 JK Annotated Mild CCCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814790 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814791 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814805 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814806 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814808 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814810 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(CC(=O)c2ccccc2)(CC(=O)c2ccccc2)N1 ZINC000587814838 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(CC(=O)c2ccccc2)(CC(=O)c2ccccc2)N1 ZINC000587814839 JK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814848 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814849 JK Annotated Mild CCCCCCCCCCCCC[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814850 JK Annotated Mild CCCCCCCCCCCCC[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814851 JK Annotated Mild Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814895 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814896 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814898 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814900 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587814924 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587814926 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587814929 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587814931 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(CC(=O)c2ccccc2)(CC(=O)c2ccccc2)N1 ZINC000587814940 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(CC(=O)c2ccccc2)(CC(=O)c2ccccc2)N1 ZINC000587814942 JK Annotated Anodyne CCCCCCCCC1(CCCCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814958 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814959 JK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815072 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815073 JK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815074 JK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815075 JK Annotated Mild Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815088 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815089 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815090 JK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815091 JK Annotated Anodyne CCCCCCCCCC1(CCCCCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815092 JK Annotated Mild CCCCCCCCCC1(CCCCCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815093 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815114 JK Annotated Mild CCCCCCCCC1(CCCCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815115 JK Annotated Mild CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815132 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815133 JK Annotated Mild CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815134 JK Annotated Mild CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815135 JK Annotated Mild Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)C[C@H](C)C2(C)C ZINC000587815222 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)C[C@H](C)C2(C)C ZINC000587815223 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)C[C@@H](C)C2(C)C ZINC000587815224 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)C[C@@H](C)C2(C)C ZINC000587815225 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815226 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815227 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815228 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815229 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587815256 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587815257 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587815258 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587815259 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587815260 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587815261 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587815262 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587815263 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587815268 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587815269 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587815270 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587815271 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587815338 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587815339 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815367 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815368 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815369 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815371 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815416 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815417 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815418 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815419 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815429 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815430 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815431 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815432 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587815437 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587815441 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587815442 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587815443 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815671 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815672 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815673 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815674 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587815747 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587815748 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587815749 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)N1 ZINC000587815750 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)[C@H](C)C2(C)C ZINC000587815807 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)[C@H](C)C2(C)C ZINC000587815808 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)[C@@H](C)C2(C)C ZINC000587815809 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)[C@@H](C)C2(C)C ZINC000587815810 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815819 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815820 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815821 JK Annotated Anodyne CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815822 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815867 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815868 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815869 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815870 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815879 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815880 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815881 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815882 JK Annotated Clean CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815899 JK Annotated Anodyne CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815900 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815901 JK Annotated Anodyne CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815902 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587815947 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587815948 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587815949 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587815950 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc1-2 ZINC000587815983 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc1-2 ZINC000587815984 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc1-2 ZINC000587815985 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc1-2 ZINC000587815986 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)C[C@H](C)C2(C)C ZINC000587816003 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)C[C@H](C)C2(C)C ZINC000587816004 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)C[C@@H](C)C2(C)C ZINC000587816005 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)C[C@@H](C)C2(C)C ZINC000587816006 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc1-2 ZINC000587816075 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc1-2 ZINC000587816076 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc1-2 ZINC000587816077 JK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc1-2 ZINC000587816078 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)[C@H](C)C2(C)C ZINC000587816139 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)[C@H](C)C2(C)C ZINC000587816140 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)[C@@H](C)C2(C)C ZINC000587816141 JK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)[C@@H](C)C2(C)C ZINC000587816142 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816227 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816228 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816229 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816230 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816243 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816244 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816245 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816246 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816259 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816260 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816261 JK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816262 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(C(=O)c2ccccc2)(C(=O)c2ccccc2)N1 ZINC000587816331 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(C(=O)c2ccccc2)(C(=O)c2ccccc2)N1 ZINC000587816332 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816345 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816346 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816347 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587816348 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587816349 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587816350 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587816351 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(C)(C)C)cc3c2CCC3(C)C)N1 ZINC000587816352 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816479 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816480 JK Annotated Anodyne Cc1ccc(C(=O)[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816481 JK Annotated Anodyne Cc1ccc(C(=O)[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816482 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587816525 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587816526 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587816527 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)N1 ZINC000587816528 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587816597 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587816598 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587816621 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587816622 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587816623 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587816624 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816641 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816642 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816643 JK Annotated Anodyne CC(=O)c1ccc(Cc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587816644 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816769 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCCCCCCCC[C@@H](C)C2)N1 ZINC000587816770 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCCCCCCCC[C@@H](C)C2)N1 ZINC000587816771 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816772 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587816781 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587816782 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587816783 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587816784 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(C)(C)C3CCC(=O)CC3)CC2)N1 ZINC000587816887 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(C)(C)C3CCC(=O)CC3)CC2)N1 ZINC000587816888 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587816911 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587816912 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587816913 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587816914 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587816939 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587816940 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587816941 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587816942 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816991 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816992 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816993 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816994 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587817091 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587817092 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587817093 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587817094 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587817187 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587817188 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587817189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587817190 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(C)(C)C3CCC(=O)CC3)CC2)N1 ZINC000587817505 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(C)(C)C3CCC(=O)CC3)CC2)N1 ZINC000587817506 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587817569 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587817574 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817600 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817602 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817604 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587817634 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587817637 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587817640 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 ZINC000587817642 JK Annotated Bother Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817714 JK Annotated Anodyne Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817715 JK Annotated Anodyne Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817716 JK Annotated Anodyne Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817717 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587817793 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587817795 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587817799 JK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817800 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(c3ccccc3)(c3ccccc3)CC2)N1 ZINC000587817802 JK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817806 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817808 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817811 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587817928 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587817931 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587817934 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]32C)N1 ZINC000587817937 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818034 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818035 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818036 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818037 JK Annotated Mild CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587818072 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587818073 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587818101 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587818115 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587818116 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587818117 JK Annotated Anodyne Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587818122 JK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587818123 JK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587818124 JK Annotated Anodyne Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587818125 JK Annotated Anodyne CCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818126 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818127 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818128 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818129 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCc3ccccc32)N1 ZINC000587818264 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCCc3ccccc32)N1 ZINC000587818265 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCc3ccccc32)N1 ZINC000587818266 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCc3ccccc32)N1 ZINC000587818267 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587818336 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587818337 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587818338 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587818339 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587818360 JK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587818361 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587818374 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587818375 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587818376 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587818377 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587818388 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587818389 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587818390 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587818391 JK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818484 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818487 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818489 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818492 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818562 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818563 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818564 JK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818565 JK Annotated Mild CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818712 JK Annotated Anodyne CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818715 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587818908 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587818909 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587818910 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@]2(C)C(=O)CC[C@@H]42)N1 ZINC000587818911 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587818994 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587819000 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587819002 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C2)N1 ZINC000587819006 JK Annotated Anodyne CCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819010 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819014 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819018 JK Annotated Mild CCCCCCCCCCCC[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819022 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCc3ccccc32)N1 ZINC000587819109 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCc3ccccc32)N1 ZINC000587819111 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCc3ccccc32)N1 ZINC000587819113 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCc3ccccc32)N1 ZINC000587819115 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587819266 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587819267 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587819268 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)N1 ZINC000587819269 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587819308 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587819310 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587819313 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC=CCCCCCCCCCC2)N1 ZINC000587819315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587819336 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587819339 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587819341 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)N1 ZINC000587819343 JK Annotated Anodyne CCCCCCCCCCC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C)C1=O ZINC000587819387 JK Annotated Mild Cc1cccc([C@@]2(CC(=O)c3ccc(C)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819388 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccc(C)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819396 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccc(C)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819398 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccc(C)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819399 JK Annotated Anodyne CCCCCCCCCCC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C)C1=O ZINC000587819400 JK Annotated Mild CCCCCCCCCCC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C)C1=O ZINC000587819402 JK Annotated Mild CCCCCCCCCCC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C)C1=O ZINC000587819403 JK Annotated Mild Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819424 JK Annotated Anodyne Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819427 JK Annotated Anodyne Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819431 JK Annotated Anodyne Cc1ccccc1[C@@H]1C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819434 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819479 JK Annotated Anodyne CCC(C)(C)c1cc(C(C)=O)c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819481 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819482 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819483 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587819484 JK Annotated Clean Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819489 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819491 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819492 JK Annotated Anodyne CCC(C)(C)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(C)(C)CC)=CC1=O ZINC000587819493 JK Annotated Mild CCC(C)(C)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(C)(C)CC)=CC1=O ZINC000587819495 JK Annotated Mild CCC(C)(C)C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(C)(C)CC)=CC1=O ZINC000587819497 JK Annotated Mild CCC(C)(C)C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(C)(C)CC)=CC1=O ZINC000587819498 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)N1 ZINC000587819548 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1 ZINC000587819549 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)N1 ZINC000587819550 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1 ZINC000587819551 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819616 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819617 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819618 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@H]3CC[C@@](C)(C3(C)C)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819619 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587819807 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587819808 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587819809 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587819810 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C/C(C)=C/C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819875 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C\C(C)=C/C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819878 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819880 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819881 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C\C(C)=C\C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819883 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C\C(C)=C/C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819885 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C\C(C)=C\C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819886 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819888 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819890 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819894 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819897 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819899 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819964 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819966 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819968 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819970 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819971 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCCCCCCCC[C@@H](C)C2)N1 ZINC000587819973 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCCCCCCCC[C@@H](C)C2)N1 ZINC000587819974 JK Annotated Anodyne C[C@@H]1CCCCCCCCCCCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819976 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587820140 JK Annotated Anodyne CCC[C@H]1CC[C@H](CCC2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587820141 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587820249 JK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587820250 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587820283 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587820285 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587820287 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587820290 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820421 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820425 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820428 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820432 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587820435 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587820437 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587820441 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587820443 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C1\CCc3ccccc31)Cc1ccccc12 ZINC000587820471 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C1/CCc3ccccc31)Cc1ccccc12 ZINC000587820486 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587820488 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C1\CCc3ccccc31)Cc1ccccc12 ZINC000587820489 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587820490 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587820491 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C1/CCc3ccccc31)Cc1ccccc12 ZINC000587820492 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587820493 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587820562 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587820563 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587820564 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587820565 JK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587820716 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587820719 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587820722 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587820724 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587820840 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587820841 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587820842 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587820843 JK Annotated Clean COc1ccc(CC[C@@]2(C3(O)CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587821300 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587821301 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587821302 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587821303 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821478 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C\C(C)=C\C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821479 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C\C(C)=C/C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821480 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821481 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@]1(O)/C=C/C(C)=C/C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821482 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C\C(C)=C/C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821483 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C\C(C)=C\C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821484 JK Annotated Anodyne CC1=C[C@]2(CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587821485 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821537 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821541 JK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821543 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821544 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(C)(O)C=C2C(C)(C)C ZINC000587821654 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(C)(O)C=C2C(C)(C)C ZINC000587821657 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821682 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821683 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821684 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821685 JK Annotated Clean CCCC/C=C\CCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821711 JK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821715 JK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821717 JK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821718 JK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821726 JK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821728 JK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821729 JK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821731 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821921 JK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821922 JK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821924 JK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821925 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822000 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822002 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822004 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822007 JK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587822038 JK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587822039 JK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587822040 JK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587822041 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822054 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822055 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822056 JK Annotated Clean CCC(C)(C)c1cc(C(C)=O)c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822057 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccc(C)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822180 JK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3ccc(C)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822182 JK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3ccc(C)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822183 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccc(C)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822185 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(C)(O)C=C2C(C)(C)C ZINC000587822286 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(C)(O)C=C2C(C)(C)C ZINC000587822287 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccc(C)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822320 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccc(C)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822321 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccc(C)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822322 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccc(C)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822323 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822360 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822362 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822364 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822366 JK Annotated Clean CCCCCCCCCCCCCC[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822432 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822433 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822435 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822436 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)N1 ZINC000587822477 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1 ZINC000587822480 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)N1 ZINC000587822482 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1 ZINC000587822484 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822546 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822548 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822550 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822551 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](c1ccccc1)CCC[C@H]2c1ccccc1 ZINC000587822566 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587822569 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587822571 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587822573 JK Annotated Anodyne CCC(C)(C)C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(C)(C)CC)=CC1=O ZINC000587822580 JK Annotated Mild CCC(C)(C)C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(C)(C)CC)=CC1=O ZINC000587822582 JK Annotated Mild CCC(C)(C)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(C)(C)CC)=CC1=O ZINC000587822583 JK Annotated Mild CCC(C)(C)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(C)(C)CC)=CC1=O ZINC000587822585 JK Annotated Mild CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822630 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822636 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822638 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822640 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587822657 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587822660 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587822662 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587822665 JK Annotated Clean Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822676 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822677 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822678 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587822679 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587822890 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587822891 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587822892 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)N1 ZINC000587822893 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587823216 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587823217 JK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587823218 JK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587823219 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](c1ccccc1)CCC[C@H]2c1ccccc1 ZINC000587823332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587823334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587823337 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 ZINC000587823339 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587823382 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587823383 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587823384 JK Annotated Anodyne Cc1ccc([C@@H]2C(=O)c3ccccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587823385 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823511 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823512 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823514 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823516 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587823642 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587823645 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587823647 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(C)(C)C)c(O)cc2O)N1 ZINC000587823649 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587823713 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587823714 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587823715 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)N1 ZINC000587823716 JK Annotated Clean CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823749 JK Annotated Anodyne CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823750 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823781 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823783 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823785 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823786 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587823929 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587823930 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587823931 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)CC[C@H]2[C@@H](O)CC[C@@H]42)N1 ZINC000587823932 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824023 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824024 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824026 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824028 JK Annotated Anodyne CCCCCCCCCCC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C)C1=O ZINC000587824181 JK Annotated Mild CCCCCCCCCCC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C)C1=O ZINC000587824182 JK Annotated Mild CCCCCCCCCCC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C)C1=O ZINC000587824184 JK Annotated Mild CCCCCCCCCCC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C)C1=O ZINC000587824185 JK Annotated Mild CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824243 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824245 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824246 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824248 JK Annotated Anodyne Cc1cccc(C(=O)C[C@]2(c3ccc(C)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824331 JK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3ccc(C)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824332 JK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3ccc(C)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824333 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccc(C)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824334 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587824371 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587824372 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587824373 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587824374 JK Annotated Anodyne CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824518 JK Annotated Mild CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824519 JK Annotated Mild CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824521 JK Annotated Mild CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824522 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824523 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824524 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824526 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1)CC/C2=C\c1ccccc1 ZINC000587824527 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824567 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824568 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824569 JK Annotated Clean CC(C)=CC[C@@H]1C(=O)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824570 JK Annotated Clean CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587824639 JK Annotated Mild CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587824640 JK Annotated Mild CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587824641 JK Annotated Mild CCCCCCCCCCC1=CC(=O)C(C)=C(C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587824642 JK Annotated Mild Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587824809 JK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587824810 JK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587824811 JK Annotated Anodyne Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587824812 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824861 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824862 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824863 JK Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824864 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587824911 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587824912 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587824913 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587824914 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587824915 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587824916 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824929 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824930 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824931 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824932 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587824941 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587824942 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587824943 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587824944 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587825007 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587825008 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587825009 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587825010 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587825119 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587825123 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587825152 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587825153 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587825155 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587825156 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587825200 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587825202 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587825203 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587825205 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825218 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825220 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825222 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825224 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587825244 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587825245 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587825250 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587825251 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825302 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825303 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825304 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825305 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825328 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825329 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825330 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825331 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587825340 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587825341 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587825342 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587825343 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587825360 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587825361 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587825362 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587825363 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587825368 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587825369 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587825370 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587825371 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825372 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825373 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825374 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)N1 ZINC000587825375 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587825410 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587825411 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587825412 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587825413 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587825438 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587825439 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587825440 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587825441 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587825496 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587825497 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587825498 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587825499 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825504 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825505 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825506 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825507 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587825689 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)O)C1 ZINC000587825690 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587825691 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(=O)O)C1 ZINC000587825692 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825697 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825698 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825699 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)C(=O)c1cc(C(=O)O)ccc12 ZINC000587825700 JK Annotated Mild CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587825713 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587825715 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587825717 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587825718 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587825728 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587825731 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587825732 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587825734 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587825798 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587825799 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587825801 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(CC(=O)O)c2)N1 ZINC000587825802 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587825899 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587825900 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587825901 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587825902 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587825979 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587825980 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587825981 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587825982 JK Annotated Mild Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587826009 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587826011 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587826013 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587826014 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587826034 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826036 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826037 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587826038 JK Annotated Anodyne Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826039 JK Annotated Anodyne Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826040 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587826042 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587826047 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826061 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826064 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826066 JK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826067 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826125 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826126 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826127 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826128 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587826129 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587826130 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587826131 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(CC(=O)O)c3)c2)N1 ZINC000587826132 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587826309 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)O)C1 ZINC000587826310 JK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587826313 JK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(=O)O)C1 ZINC000587826315 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587826358 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587826362 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587826363 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587826364 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587826365 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587826366 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587826367 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587826369 JK Annotated Anodyne CCCCc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826381 JK Annotated Anodyne CCCCc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826384 JK Annotated Anodyne CCCCc1ccc(/C=C\[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826386 JK Annotated Anodyne CCCCc1ccc(/C=C\[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826388 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826419 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826421 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826424 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826427 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826458 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826462 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826467 JK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587826470 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826603 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826604 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826605 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826606 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826607 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826608 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826609 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826610 JK Annotated Anodyne Cc1coc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587826619 JK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587826620 JK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587826621 JK Annotated Anodyne Cc1coc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587826622 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826631 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826632 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826633 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826634 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587826643 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587826644 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587826645 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587826646 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826651 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826652 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826653 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826654 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826674 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826675 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826676 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826677 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587826682 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587826683 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587826684 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587826685 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2Cc2ccc([C@@H](C)C(=O)O)cc2)N1 ZINC000587826700 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2Cc2ccc([C@@H](C)C(=O)O)cc2)N1 ZINC000587826701 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587826704 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587826706 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587826756 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587826757 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587826758 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587826759 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587826760 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587826774 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587826776 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587826779 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2Cc2ccc([C@@H](C)C(=O)O)cc2)N1 ZINC000587826790 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2Cc2ccc([C@@H](C)C(=O)O)cc2)N1 ZINC000587826793 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587826796 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587826799 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826825 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826828 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826832 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826835 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587826873 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587826875 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587826876 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587826877 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826878 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826879 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826880 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826881 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587826946 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587826947 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587826948 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587826949 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587826974 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587826975 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587826976 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587826977 JK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)oc1C(=O)O ZINC000587826986 JK Annotated Anodyne Cc1cc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)oc1C(=O)O ZINC000587826987 JK Annotated Anodyne Cc1cc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)oc1C(=O)O ZINC000587826988 JK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)oc1C(=O)O ZINC000587826989 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827060 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827061 JK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827062 JK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827063 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827156 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827166 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827169 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827172 JK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)oc1C(=O)O ZINC000587827182 JK Annotated Anodyne Cc1cc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)oc1C(=O)O ZINC000587827185 JK Annotated Anodyne Cc1cc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)oc1C(=O)O ZINC000587827186 JK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)oc1C(=O)O ZINC000587827187 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)o1 ZINC000587827188 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)o1 ZINC000587827189 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)o1 ZINC000587827190 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)o1 ZINC000587827191 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587827212 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587827214 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587827216 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587827218 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587827220 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587827221 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587827223 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587827225 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587827226 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587827228 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587827229 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587827230 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587827295 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587827301 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587827302 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587827303 JK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587827357 JK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587827358 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587827359 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587827360 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587827369 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587827370 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587827371 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587827372 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C1\CCc3ccccc31)Cc1ccccc12 ZINC000587827377 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C1/CCc3ccccc31)Cc1ccccc12 ZINC000587827378 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C1\CCc3ccccc31)Cc1ccccc12 ZINC000587827379 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C1/CCc3ccccc31)Cc1ccccc12 ZINC000587827380 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587827418 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587827419 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587827420 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587827421 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827482 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827483 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827524 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827525 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827526 JK Annotated Anodyne CCOc1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827527 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587827540 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587827541 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587827542 JK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587827543 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587827548 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587827549 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587827550 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587827551 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827552 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827553 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827554 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827555 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587827556 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587827557 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587827558 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587827559 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827617 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827618 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827619 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827620 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587827625 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587827626 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587827627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587827628 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587827633 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587827634 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587827635 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)-c2ccccc2C3)N1 ZINC000587827636 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827637 JK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827638 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827639 JK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827640 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587827657 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587827658 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587827659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587827660 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587827673 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587827674 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587827675 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587827676 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827684 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587827685 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827786 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827787 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827788 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587827832 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587827833 JK Annotated Clean Cc1ccc([C@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587827834 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587827835 JK Annotated Clean CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827991 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827992 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827993 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827994 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828024 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587828041 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587828042 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587828043 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccccc3C(=O)O)c2)N1 ZINC000587828044 JK Annotated Anodyne Cc1ccc(O)c([C@]2(CC(=O)c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587828163 JK Annotated Clean Cc1ccc(O)c([C@@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587828164 JK Annotated Clean Cc1ccc(O)c([C@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587828167 JK Annotated Clean Cc1ccc(O)c([C@@]2(CC(=O)c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587828170 JK Annotated Clean CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828171 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828173 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828174 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828176 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587828202 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587828203 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587828204 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587828205 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828231 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828232 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828233 JK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828234 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587828239 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587828240 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587828241 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(C)(C)C)ccc12 ZINC000587828242 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828327 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828328 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828331 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828332 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587828356 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587828358 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587828361 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587828364 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828448 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828449 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828450 JK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828451 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587828529 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587828530 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587828531 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587828533 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828561 JK Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828564 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828566 JK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828568 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587828581 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587828584 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587828587 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4C(=C3CC2)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)N1 ZINC000587828590 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc([C@H](C)C(=O)O)c2)N1 ZINC000587828696 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587828699 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc([C@H](C)C(=O)O)c2)N1 ZINC000587828701 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587828705 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587828852 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587828853 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587828854 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587828855 JK Annotated Clean Cc1ccc(C(=O)C[C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587828950 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587828951 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587828952 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587828953 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828962 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828963 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828964 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828965 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c(C)cccc12 ZINC000587828978 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c(C)cccc12 ZINC000587828979 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c(C)cccc12 ZINC000587828980 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c(C)cccc12 ZINC000587828981 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587829189 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587829191 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587829192 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(CC(=O)O)cc3)c2)N1 ZINC000587829194 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587829196 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587829198 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587829200 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587829202 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829269 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829272 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829275 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829278 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829303 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829305 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829306 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829337 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829339 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829340 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829348 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587829349 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587829350 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829351 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587829352 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829353 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(C(=O)O)cc2)(c2ccco2)N1 ZINC000587829354 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829356 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587829357 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587829359 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587829361 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587829362 JK Annotated Clean CC(C)c1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587829400 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587829404 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587829408 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587829411 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829414 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829418 JK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829419 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829421 JK Annotated Anodyne Cc1ccc(O)c([C@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829422 JK Annotated Clean Cc1ccc(O)c([C@@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829423 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3O)Oc3ccccc32)N1 ZINC000587829425 JK Annotated Anodyne Cc1ccc(O)c([C@]2(CC(=O)c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829426 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587829445 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587829446 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587829448 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3occc3C(=O)O)cc2)N1 ZINC000587829449 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829463 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829464 JK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829465 JK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829466 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587829656 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587829658 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587829659 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587829663 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587829682 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587829683 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587829684 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=C(c1ccccc1)c1ccccc12 ZINC000587829685 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587829695 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587829696 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587829697 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587829747 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587829748 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587829749 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587829750 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829759 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829760 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829761 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829762 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829824 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829827 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829829 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(C(=O)O)o2)N1 ZINC000587829832 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587829833 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587829836 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587829841 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587829844 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc([C@H](C)C(=O)O)c2)N1 ZINC000587829913 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829917 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc([C@H](C)C(=O)O)c2)N1 ZINC000587829919 JK Annotated Anodyne C[C@H](C(=O)O)c1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829920 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587829941 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587829947 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587829952 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587829953 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587829954 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587829955 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587829956 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587829957 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccccc1)Oc1ccccc12 ZINC000587829958 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587829959 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)C(=O)c1ccc(C(=O)O)cc12 ZINC000587829960 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccccc1)Oc1ccccc12 ZINC000587829961 JK Annotated Anodyne Cc1oc2ccc(OCc3ccccc3)cc2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829962 JK Annotated Anodyne Cc1oc2ccc(OCc3ccccc3)cc2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829966 JK Annotated Anodyne Cc1oc2ccc(OCc3ccccc3)cc2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829968 JK Annotated Anodyne Cc1oc2ccc(OCc3ccccc3)cc2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829970 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587829989 JK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587829991 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587829993 JK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587829996 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)o1 ZINC000587830017 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)o1 ZINC000587830019 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)o1 ZINC000587830021 JK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)o1 ZINC000587830022 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830037 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830041 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830044 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830046 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587830047 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587830054 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587830055 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587830057 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587830108 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830110 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830114 JK Annotated Anodyne Cc1ccc(/C=C2\[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830116 JK Annotated Anodyne Cc1ccc(/C=C2/[C@@]3(C)CC[C@@H](C3(C)C)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830117 JK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587830141 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587830142 JK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587830144 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587830146 JK Annotated Clean CCCCc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830197 JK Annotated Anodyne CCCCc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830198 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830199 JK Annotated Anodyne CCCCc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830201 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc([C@@H](C)C(=O)O)c2)N1 ZINC000587830221 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc([C@@H](C)C(=O)O)c2)N1 ZINC000587830222 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587830257 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587830259 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587830261 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@]2(CCC(=O)O)c2ccccc2)N1 ZINC000587830262 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccccc1 ZINC000587830293 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccccc1 ZINC000587830294 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccccc1 ZINC000587830295 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccccc1 ZINC000587830296 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587830316 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587830317 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587830318 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2O)(c2cc3ccccc3o2)N1 ZINC000587830319 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830322 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830323 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830325 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830328 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830330 JK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830332 JK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830334 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830348 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830350 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830352 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830355 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830357 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830359 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830360 JK Annotated Anodyne CC(C)c1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587830361 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587830373 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587830375 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587830377 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000587830378 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)N1 ZINC000587830475 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)N1 ZINC000587830476 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)N1 ZINC000587830477 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)N1 ZINC000587830478 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)N1 ZINC000587830479 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)N1 ZINC000587830480 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)N1 ZINC000587830481 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)N1 ZINC000587830482 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830536 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830537 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830539 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830540 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587830550 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587830554 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587830556 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587830558 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587830676 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587830679 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587830680 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587830681 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587830682 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587830683 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3occc3C(=O)O)c2)N1 ZINC000587830684 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830706 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830707 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830708 JK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830709 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587830735 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587830737 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587830738 JK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587830740 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587830750 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587830753 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587830757 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(C)(C)C)cc12 ZINC000587830764 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830765 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830767 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830770 JK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830773 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccco1 ZINC000587830795 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccco1 ZINC000587830797 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccco1 ZINC000587830799 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccco1 ZINC000587830801 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587830803 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587830804 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587830805 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587830806 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587830807 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2coc3ccc(O)cc23)N1 ZINC000587830808 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587830809 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587830811 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c(C)cccc12 ZINC000587830825 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c(C)cccc12 ZINC000587830828 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830829 JK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c(C)cccc12 ZINC000587830830 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830831 JK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c(C)cccc12 ZINC000587830832 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830833 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587830834 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587830835 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587830836 JK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830837 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587830838 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587830839 JK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830840 JK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830841 JK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830842 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587830879 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587830880 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587830881 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587830882 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830887 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830888 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830889 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]2C4)N1 ZINC000587830890 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587830899 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830916 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830917 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830918 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C[C@@H](O)CCc2ccccc2)N1 ZINC000587830919 JK Annotated Anodyne CC(C)=CCCC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587830928 JK Annotated Mild CC(C)=CCCC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587830929 JK Annotated Mild CC(C)=CCCC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587830930 JK Annotated Mild CC(C)=CCCC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(O)ccc(O)c2C1=O ZINC000587830931 JK Annotated Mild Cc1cccc(C(=O)C[C@@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587830962 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587830963 JK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587830964 JK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587830965 JK Annotated Clean CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830986 JK Annotated Mild CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830987 JK Annotated Mild CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830988 JK Annotated Mild CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830989 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587831027 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587831028 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587831029 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 ZINC000587831030 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831031 JK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831032 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831033 JK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831034 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587831081 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587831082 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587831083 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)N1 ZINC000587831084 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831103 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831104 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831105 JK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831106 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587831111 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587831112 JK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587831113 JK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587831114 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831266 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831269 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831272 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831275 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831300 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831302 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831305 JK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831308 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587831360 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587831362 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587831364 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(CC(=O)O)cc3)cc2)N1 ZINC000587831365 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587831367 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587831368 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587831370 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3ccccc3cc12 ZINC000587831371 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587831373 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587831374 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587831375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587831377 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587831378 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587831380 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587831383 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc3c(cc12)-c1ccccc1C3=O ZINC000587831385 JK Annotated Anodyne Cc1ccc([C@]2(CC(=O)c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587831446 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587831447 JK Annotated Clean Cc1ccc([C@]2(CC(=O)c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587831448 JK Annotated Clean Cc1ccc([C@@]2(CC(=O)c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587831450 JK Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccco1 ZINC000587831451 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccco1 ZINC000587831452 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccco1 ZINC000587831455 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccco1 ZINC000587831456 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831497 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831499 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831500 JK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831502 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587831706 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587831707 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587831708 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587831709 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587831727 JK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587831731 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587831734 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587831738 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587831790 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587831792 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587831796 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(C(=O)O)o3)c2)N1 ZINC000587831798 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587831973 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587831977 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587831979 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587831982 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587831984 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587831985 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587831988 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587831989 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832089 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832091 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832092 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832094 JK Annotated Anodyne CCCCc1ccc(/C=C\[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832125 JK Annotated Anodyne CCCCc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832126 JK Annotated Anodyne CCCCc1ccc(/C=C\[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832127 JK Annotated Anodyne CCCCc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832128 JK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587832169 JK Annotated Anodyne Cc1coc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587832170 JK Annotated Anodyne Cc1coc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587832171 JK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587832172 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)CO1 ZINC000587832233 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)CO1 ZINC000587832234 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)CO1 ZINC000587832235 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)CO1 ZINC000587832236 JK Annotated Mild Cc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587832282 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587832283 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587832284 JK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587832285 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587832297 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587832300 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587832303 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587832307 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587832422 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587832431 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587832434 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccccc2)N1 ZINC000587832437 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc([C@@H](C)C(=O)O)c2)N1 ZINC000587832481 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc([C@@H](C)C(=O)O)c2)N1 ZINC000587832485 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587832503 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587832504 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587832507 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587832508 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832527 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832530 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832532 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587832535 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832619 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832622 JK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832624 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587832625 JK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832626 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587832627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587832629 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587832630 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832658 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832659 JK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832660 JK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832661 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832693 JK Annotated Anodyne CCCCCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832694 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832695 JK Annotated Anodyne CCCCCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587832696 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587832742 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587832745 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587832746 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587832748 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587832806 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587832807 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccccc1)Oc1ccccc12 ZINC000587832808 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccccc1)Oc1ccccc12 ZINC000587832809 JK Annotated Anodyne CC(C)c1ccc(/C=C\[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832868 JK Annotated Anodyne CC(C)c1ccc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832870 JK Annotated Anodyne CC(C)c1ccc(/C=C\[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832871 JK Annotated Anodyne CC(C)c1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587832872 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587833054 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587833058 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587833061 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587833064 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)N1 ZINC000587833129 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)N1 ZINC000587833131 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)N1 ZINC000587833133 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)N1 ZINC000587833135 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833187 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833188 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833190 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833192 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587833195 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587833197 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587833199 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587833202 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587833210 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587833212 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587833214 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc32)N1 ZINC000587833216 JK Annotated Clean COC(=O)Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1OC2 ZINC000587833303 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1OC2 ZINC000587833304 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1OC2 ZINC000587833305 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1OC2 ZINC000587833306 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587833367 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587833370 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587833373 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587833376 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833528 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833531 JK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833534 JK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833536 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587833564 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587833569 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587833571 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587833572 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833597 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833598 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833599 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587833600 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)CO1 ZINC000587833632 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)CO1 ZINC000587833633 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)CO1 ZINC000587833635 JK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)CO1 ZINC000587833637 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833778 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833780 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833781 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833783 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833849 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833850 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833852 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc3cc(C(=O)O)ccc3o2)N1 ZINC000587833853 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(N[C@@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587833963 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(N[C@@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587833967 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(N[C@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587833971 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(N[C@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587833973 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834025 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834026 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834027 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834028 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587834043 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587834046 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587834048 JK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587834050 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834062 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834063 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834065 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834066 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587834087 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587834089 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587834092 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]32C)N1 ZINC000587834095 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834110 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834112 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834114 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2O)(/C=C/c2ccccc2O)N1 ZINC000587834115 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834122 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587834127 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587834128 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587834129 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)N1 ZINC000587834130 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834131 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834133 JK Annotated Anodyne CO[C@]1(c2ccccc2)OC=C(c2ccccc2)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834134 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587834187 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587834188 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587834189 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)N1 ZINC000587834190 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834327 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834335 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834338 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834341 JK Annotated Anodyne CC(C)c1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834415 JK Annotated Anodyne CC(C)c1ccc(/C=C\[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834416 JK Annotated Anodyne CC(C)c1ccc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834417 JK Annotated Anodyne CC(C)c1ccc(/C=C\[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834418 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587834443 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587834444 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587834445 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587834446 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834545 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834547 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834549 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 ZINC000587834551 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587834568 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587834573 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587834575 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587834577 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccccc1)O2 ZINC000587834699 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccccc1)O2 ZINC000587834700 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccccc1)O2 ZINC000587834701 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccccc1)O2 ZINC000587834702 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834739 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834740 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834741 JK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834742 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccccc1)O2 ZINC000587834779 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccccc1)O2 ZINC000587834780 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccccc1)O2 ZINC000587834781 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccccc1)O2 ZINC000587834782 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834905 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834907 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834909 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccccc2O)N1 ZINC000587834910 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587834980 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587834982 JK Annotated Anodyne CC(C)=CCCC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587834996 JK Annotated Mild CC(C)=CCCC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587834997 JK Annotated Mild CC(C)=CCCC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587834998 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccccc1 ZINC000587835007 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccccc1 ZINC000587835008 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccccc1 ZINC000587835009 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccccc1 ZINC000587835010 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587835023 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587835024 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587835025 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587835026 JK Annotated Clean CC(C)=CCCC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(O)ccc(O)c2C1=O ZINC000587835099 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587835130 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587835131 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587835177 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587835179 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587835181 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccc3ccccc23)(c2ccc(O)cc2)N1 ZINC000587835183 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587835194 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587835196 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587835198 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)N1 ZINC000587835200 JK Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@@H]2N[C@H](C)Cc4ccc(F)c(Br)c42)OCO3)cc1 ZINC000587835258 JK Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@H]2N[C@@H](C)Cc4ccc(F)c(Br)c42)OCO3)cc1 ZINC000587835261 JK Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@@H]2N[C@@H](C)Cc4ccc(F)c(Br)c42)OCO3)cc1 ZINC000587835263 JK Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@H]2N[C@H](C)Cc4ccc(F)c(Br)c42)OCO3)cc1 ZINC000587835266 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587835315 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587835316 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587835317 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587835318 JK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587835339 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587835340 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587835341 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587835342 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)N1 ZINC000587835343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)N1 ZINC000587835344 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)N1 ZINC000587835345 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)N1 ZINC000587835346 JK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835383 JK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835384 JK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835385 JK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccccc1)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835386 JK Annotated Clean COc1ccc(-c2cc3c(cc2[C@H]2N[C@H](C)Cc4cc(Br)c(F)cc42)OCO3)cc1 ZINC000587835507 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835508 JK Annotated Mild COc1ccc(-c2cc3c(cc2[C@@H]2N[C@@H](C)Cc4cc(Br)c(F)cc42)OCO3)cc1 ZINC000587835509 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835510 JK Annotated Mild COc1ccc(-c2cc3c(cc2[C@H]2N[C@@H](C)Cc4cc(Br)c(F)cc42)OCO3)cc1 ZINC000587835511 JK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835512 JK Annotated Mild COc1ccc(-c2cc3c(cc2[C@@H]2N[C@H](C)Cc4cc(Br)c(F)cc42)OCO3)cc1 ZINC000587835513 JK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835514 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587835583 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587835584 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587835585 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc3c(c2)OCO3)N1 ZINC000587835586 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587835629 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587835630 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587835631 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587835632 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835657 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835658 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835659 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835660 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587835661 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587835662 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587835663 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C1=C2CCC(C)(C)O1 ZINC000587835664 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835721 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835722 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835723 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835724 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587835917 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587835919 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587835920 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587835922 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587836023 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587836027 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587836030 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(c2ccc3ccccc3c2)N1 ZINC000587836032 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587836034 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587836037 JK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587836039 JK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587836042 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587836092 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587836096 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587836100 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C1=C(OC(C)(C)CC1)c1ccccc12 ZINC000587836104 JK Annotated Mild COc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccccc1)O2 ZINC000587836108 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccccc1)O2 ZINC000587836111 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccccc1)O2 ZINC000587836116 JK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccccc1)O2 ZINC000587836119 JK Annotated Anodyne CCCCC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836169 JK Annotated Anodyne CCCCC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836170 JK Annotated Anodyne CCCCC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836171 JK Annotated Anodyne CCCCC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836172 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587836185 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587836186 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587836187 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587836188 JK Annotated Anodyne CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836225 JK Annotated Mild CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836226 JK Annotated Mild CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836227 JK Annotated Mild CC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836228 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587836253 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587836254 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587836255 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587836256 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587836281 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587836282 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587836283 JK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587836284 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccccc1)O2 ZINC000587836317 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccccc1)O2 ZINC000587836318 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccccc1)O2 ZINC000587836319 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccccc1)O2 ZINC000587836320 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1OC2 ZINC000587836395 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1OC2 ZINC000587836396 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1OC2 ZINC000587836397 JK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1OC2 ZINC000587836398 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587836435 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587836436 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587836437 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc3c(c2)OCO3)(c2ccc(O)cc2)N1 ZINC000587836438 JK Annotated Anodyne CCCCC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836481 JK Annotated Anodyne CCCCC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836482 JK Annotated Anodyne CCCCC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836483 JK Annotated Anodyne CCCCC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836484 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587836518 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587836519 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587836520 JK Annotated Anodyne COc1cc(C2CCOCC2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587836521 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587836559 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587836560 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587836561 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587836562 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836575 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836576 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836577 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836578 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836601 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836602 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836603 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836604 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836621 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836622 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836623 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836624 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587836741 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587836742 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587836743 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587836744 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C3CCC4(CC3)OCCO4)CC2)N1 ZINC000587836761 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C3CCC4(CC3)OCCO4)CC2)N1 ZINC000587836762 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587836763 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587836764 JK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587836765 JK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587836766 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836779 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836780 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836781 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836782 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H]3C[C@H]12 ZINC000587836787 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H]3C[C@H]12 ZINC000587836788 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]3C[C@H]12 ZINC000587836789 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]3C[C@H]12 ZINC000587836790 JK Annotated Mild Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c(C)c1 ZINC000587836795 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c(C)c1 ZINC000587836796 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c(C)c1 ZINC000587836797 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c(C)c1 ZINC000587836798 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=CO[C@]21OC(=O)c2ccccc21 ZINC000587836813 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=CO[C@@]21OC(=O)c2ccccc21 ZINC000587836814 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=CO[C@@]21OC(=O)c2ccccc21 ZINC000587836815 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=CO[C@]21OC(=O)c2ccccc21 ZINC000587836816 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836817 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836818 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836819 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(c1ccc(O)cc1)=CO2 ZINC000587836820 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587836821 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587836822 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587836823 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587836824 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836925 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836926 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836927 JK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836928 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587836941 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587836942 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587836943 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587836944 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836965 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836966 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836967 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836968 JK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836973 JK Annotated Bother Cc1c(OC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836974 JK Annotated Bother Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836975 JK Annotated Bother Cc1c(OC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836976 JK Annotated Bother Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(N[C@@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587837085 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(N[C@@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587837086 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(N[C@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587837087 JK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(N[C@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587837088 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837128 JK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837130 JK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837132 JK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837134 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587837160 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587837161 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587837163 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587837164 JK Annotated Clean Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c(C)c1 ZINC000587837237 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c(C)c1 ZINC000587837238 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c(C)c1 ZINC000587837239 JK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c(C)c1 ZINC000587837240 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587837241 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587837242 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587837243 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)N1 ZINC000587837244 JK Annotated Anodyne COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837275 JK Annotated Clean COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837276 JK Annotated Clean COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837277 JK Annotated Clean COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837278 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587837291 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587837292 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587837293 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587837294 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837299 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837300 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837301 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837302 JK Annotated Clean C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H]3C[C@H]12 ZINC000587837307 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]3C[C@H]12 ZINC000587837308 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H]3C[C@H]12 ZINC000587837309 JK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]3C[C@H]12 ZINC000587837310 JK Annotated Mild Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837319 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837320 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837321 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837322 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587837371 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587837372 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587837373 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2oc1=O ZINC000587837374 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587837375 JK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587837376 JK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587837377 JK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCC3 ZINC000587837378 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837455 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837456 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837457 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837458 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587837479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587837480 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587837481 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587837482 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837495 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837496 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837497 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837498 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C3CCC4(CC3)OCCO4)CC2)N1 ZINC000587837507 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C3CCC4(CC3)OCCO4)CC2)N1 ZINC000587837508 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc([C@@H](C)C(=O)O)cc12 ZINC000587837581 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc([C@@H](C)C(=O)O)cc12 ZINC000587837582 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1O2 ZINC000587837583 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1O2 ZINC000587837584 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837585 JK Annotated Clean Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837586 JK Annotated Clean Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837587 JK Annotated Clean Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837588 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587837593 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587837594 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587837595 JK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587837596 JK Annotated Clean CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837597 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837598 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837599 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837600 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837601 JK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837602 JK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837603 JK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1 ZINC000587837604 JK Annotated Clean COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837643 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837644 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837645 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837646 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587837689 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587837690 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587837691 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587837692 JK Annotated Anodyne Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837693 JK Annotated Clean Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837697 JK Annotated Clean Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837699 JK Annotated Clean Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837700 JK Annotated Clean Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837706 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837707 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837708 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837711 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587837712 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587837713 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587837714 JK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587837715 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837904 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837905 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837906 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(C(=O)O)cc12 ZINC000587837907 JK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587837912 JK Annotated Bother Cc1c(OC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587837913 JK Annotated Bother Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587837914 JK Annotated Bother Cc1c(OC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587837915 JK Annotated Bother Cc1cc(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837916 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837917 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837918 JK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(C)c(C)c(=O)oc2c1 ZINC000587837919 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838120 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838122 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587838125 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587838126 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587838127 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587838128 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838161 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838162 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838163 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838164 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587838165 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587838166 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587838167 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587838168 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838211 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838212 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838213 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838214 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587838251 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587838252 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587838253 JK Annotated Clean COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587838254 JK Annotated Clean Cc1c(OC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587838267 JK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587838268 JK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587838269 JK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587838270 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838277 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838280 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3[S@](C)=O)cc2)N1 ZINC000587838378 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3[S@@](C)=O)cc2)N1 ZINC000587838382 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3[S@](C)=O)cc2)N1 ZINC000587838383 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3[S@@](C)=O)cc2)N1 ZINC000587838384 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838435 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838436 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838437 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc3ccccc3cc1Oc1cc(O)cc(O)c12 ZINC000587838438 JK Annotated Clean CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838447 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838448 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838449 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838450 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587838489 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587838491 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587838493 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587838495 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587838496 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587838498 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838512 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838514 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838516 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838518 JK Annotated Clean Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838541 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838543 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838545 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838547 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838552 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838553 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838554 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838555 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838569 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838570 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838571 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cccc(O)c32)N1 ZINC000587838572 JK Annotated Clean CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838623 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838624 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838625 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838626 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838635 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838636 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838637 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838638 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3[S@](C)=O)cc2)N1 ZINC000587838657 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3[S@@](C)=O)cc2)N1 ZINC000587838658 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3[S@](C)=O)cc2)N1 ZINC000587838659 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3[S@@](C)=O)cc2)N1 ZINC000587838660 JK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838803 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838804 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838805 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838806 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587838833 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587838834 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587838835 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587838836 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587838867 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587838868 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587838869 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587838870 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838895 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838896 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838897 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838898 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587838925 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587838927 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587838928 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587838929 JK Annotated Clean COc1cc(O)cc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587839097 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587839099 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587839100 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(c1ccc(O)cc1)=CO2 ZINC000587839101 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839122 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839123 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839125 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839126 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839160 JK Annotated Clean COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839161 JK Annotated Clean COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839163 JK Annotated Clean COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839164 JK Annotated Clean COc1ccccc1C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587839212 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587839213 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587839214 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 ZINC000587839215 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587839216 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587839217 JK Annotated Anodyne CC1=C(c2ccccc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587839218 JK Annotated Anodyne CC1=C(c2ccccc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587839219 JK Annotated Anodyne COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839307 JK Annotated Clean COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839309 JK Annotated Clean COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839311 JK Annotated Clean COc1cc(O)c2c(c1)OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839313 JK Annotated Clean Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587839345 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587839346 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587839349 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2oc1=O ZINC000587839352 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587839371 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587839374 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587839375 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3ccccc3)CCC3(CC2)OCCO3)N1 ZINC000587839376 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839415 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839416 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839418 JK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839421 JK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839423 JK Annotated Clean COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839424 JK Annotated Clean COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839425 JK Annotated Clean COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839426 JK Annotated Clean Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587839494 JK Annotated Mild Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587839495 JK Annotated Mild Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587839496 JK Annotated Mild Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587839497 JK Annotated Mild Cc1c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587839534 JK Annotated Clean Cc1c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587839536 JK Annotated Clean Cc1c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587839538 JK Annotated Clean Cc1c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587839540 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587839584 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587839588 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587839591 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 ZINC000587839594 JK Annotated Bother CCC[C@]1(c2cc3cccc(OC)c3oc2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839616 JK Annotated Anodyne CCC[C@@]1(c2cc3cccc(OC)c3oc2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839619 JK Annotated Anodyne CCC[C@]1(c2cc3cccc(OC)c3oc2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839621 JK Annotated Anodyne CCC[C@@]1(c2cc3cccc(OC)c3oc2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839625 JK Annotated Anodyne C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839644 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 ZINC000587839647 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 ZINC000587839649 JK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839651 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839738 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839740 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587839772 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587839773 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587839774 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 ZINC000587839775 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839786 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839789 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587839801 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587839803 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587839807 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cccc(O)c32)N1 ZINC000587839808 JK Annotated Clean CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587839809 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587839811 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587839813 JK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587839815 JK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587839897 JK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587839900 JK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587839902 JK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587839904 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839925 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839926 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839927 JK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C(=C(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839929 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839970 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839971 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839972 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 ZINC000587839973 JK Annotated Clean CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840008 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840009 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840010 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840011 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587840158 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587840159 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587840160 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587840161 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840178 JK Annotated Mild Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840179 JK Annotated Mild Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840180 JK Annotated Mild Cc1ccc(S(=O)(=O)OC2=CC=CC=C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840181 JK Annotated Mild COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840186 JK Annotated Anodyne COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840187 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840188 JK Annotated Anodyne COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840189 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=CO[C@]21OC(=O)c2ccccc21 ZINC000587840194 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=CO[C@@]21OC(=O)c2ccccc21 ZINC000587840195 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=CO[C@@]21OC(=O)c2ccccc21 ZINC000587840196 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=CO[C@]21OC(=O)c2ccccc21 ZINC000587840197 JK Annotated Anodyne Cc1c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587840210 JK Annotated Clean Cc1c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587840211 JK Annotated Clean Cc1c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587840212 JK Annotated Clean Cc1c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587840213 JK Annotated Clean COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840236 JK Annotated Anodyne COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840237 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840238 JK Annotated Anodyne COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840239 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587840258 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587840259 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587840260 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587840261 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc([C@@H](C)C(=O)O)cc12 ZINC000587840266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc([C@@H](C)C(=O)O)cc12 ZINC000587840267 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1O2 ZINC000587840268 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1O2 ZINC000587840269 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587840343 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587840344 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587840345 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587840346 JK Annotated Clean C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840390 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 ZINC000587840392 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 ZINC000587840395 JK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840397 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1)Oc1cc(O)ccc12 ZINC000587840409 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1)Oc1cc(O)ccc12 ZINC000587840410 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1)Oc1cc(O)ccc12 ZINC000587840411 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)Oc1cc(O)ccc12 ZINC000587840412 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc12 ZINC000587840413 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc12 ZINC000587840414 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc12 ZINC000587840415 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc12 ZINC000587840417 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587840437 JK Annotated Anodyne COc1ccccc1C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587840440 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587840443 JK Annotated Anodyne COc1ccccc1C1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 ZINC000587840445 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840449 JK Annotated Mild CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840453 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840454 JK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840455 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840456 JK Annotated Mild CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840457 JK Annotated Anodyne COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840560 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840561 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840562 JK Annotated Clean COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840563 JK Annotated Clean C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840568 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840569 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840570 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2C(C)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840571 JK Annotated Mild CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840630 JK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840631 JK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840632 JK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840633 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840746 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840747 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840748 JK Annotated Anodyne COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840749 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc12 ZINC000587840754 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc12 ZINC000587840755 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc12 ZINC000587840756 JK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc12 ZINC000587840757 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840780 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840781 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840782 JK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587840783 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587840798 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587840799 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587840800 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587840801 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587840930 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587840931 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587840932 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587840933 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841075 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841076 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841078 JK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841080 JK Annotated Anodyne Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587841148 JK Annotated Mild Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587841149 JK Annotated Mild COc1ccc(OC2=COc3cc(O)ccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587841218 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587841219 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587841220 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587841221 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1)Oc1cc(O)ccc12 ZINC000587841222 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)Oc1cc(O)ccc12 ZINC000587841223 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1)Oc1cc(O)ccc12 ZINC000587841224 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1)Oc1cc(O)ccc12 ZINC000587841225 JK Annotated Anodyne CCSc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587841305 JK Annotated Anodyne CCSc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587841311 JK Annotated Anodyne CCSc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587841313 JK Annotated Anodyne CCSc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587841315 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841332 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841334 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841336 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841339 JK Annotated Anodyne COCCSC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841340 JK Annotated Mild COCCSC1=C(C)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841344 JK Annotated Mild COCCSC1=C(C)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841346 JK Annotated Mild COCCSC1=C(C)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841347 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587841387 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587841389 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587841391 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587841392 JK Annotated Clean CCCc1sc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841394 JK Annotated Anodyne CCCc1sc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841396 JK Annotated Anodyne CCCc1sc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841397 JK Annotated Anodyne CCCc1sc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841398 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841403 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841404 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841405 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841406 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587841493 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587841495 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587841497 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NS(=O)(=O)c2cccs2)N1 ZINC000587841498 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587841536 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587841537 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587841539 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587841540 JK Annotated Bother CC(C)Sc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841586 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841587 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841588 JK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841589 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587841622 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587841623 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587841624 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587841625 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587841650 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587841652 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587841653 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587841654 JK Annotated Anodyne Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841655 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841656 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841657 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841659 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841663 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841664 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841665 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=COc1cc(O)ccc12 ZINC000587841666 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587841673 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587841676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587841678 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587841680 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587841683 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587841685 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587841686 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc3ccccc3c1Oc1cc(O)cc(O)c12 ZINC000587841688 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841692 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841695 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841697 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841698 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587841723 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587841731 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587841732 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587841734 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841767 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841768 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841771 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841773 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841791 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841796 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841797 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841799 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841939 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841943 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841945 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 ZINC000587841947 JK Annotated Bother CSc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587841973 JK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587841977 JK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587841979 JK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587841981 JK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587841989 JK Annotated Clean CSc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587841991 JK Annotated Clean CSc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587841992 JK Annotated Clean CSc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)c2)cc1 ZINC000587841993 JK Annotated Clean CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841995 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841996 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841997 JK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841999 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842014 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842015 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842016 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842017 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587842035 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587842037 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587842038 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Br)cc3)o2)N1 ZINC000587842040 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842063 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842065 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842066 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 ZINC000587842068 JK Annotated Bother Cc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Cl)cn1 ZINC000587842088 JK Annotated Anodyne Cc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Cl)cn1 ZINC000587842092 JK Annotated Anodyne Cc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Cl)cn1 ZINC000587842094 JK Annotated Anodyne Cc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Cl)cn1 ZINC000587842095 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587842116 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587842118 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587842119 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2sccc2Br)(C2CCCCC2)N1 ZINC000587842121 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587842151 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587842155 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587842156 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587842158 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2scc(Br)c2Br)N1 ZINC000587842159 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2scc(Br)c2Br)N1 ZINC000587842165 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2scc(Br)c2Br)N1 ZINC000587842167 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2scc(Br)c2Br)N1 ZINC000587842168 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587842170 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587842174 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587842176 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587842178 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587842195 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587842197 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587842200 JK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587842202 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587842235 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587842237 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587842240 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587842242 JK Annotated Anodyne CCSc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587842313 JK Annotated Anodyne CCSc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587842314 JK Annotated Anodyne CCSc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587842316 JK Annotated Anodyne CCSc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587842318 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842394 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842395 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842396 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842397 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842402 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842403 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842404 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842405 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587842410 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587842411 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587842412 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587842413 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Cl)N1 ZINC000587842414 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Cl)N1 ZINC000587842415 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Cl)N1 ZINC000587842416 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Cl)N1 ZINC000587842417 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587842426 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587842427 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587842428 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC2CCCCC2)(c2ccc(O)cc2O)N1 ZINC000587842429 JK Annotated Clean Cc1ccc([C@@]2(c3c(N)sc(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842430 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842431 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc(C)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842432 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842433 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842446 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842447 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842448 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842449 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587842454 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587842455 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587842456 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587842457 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2sccc2Br)N1 ZINC000587842458 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2sccc2Br)N1 ZINC000587842459 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2sccc2Br)N1 ZINC000587842460 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2sccc2Br)N1 ZINC000587842461 JK Annotated Anodyne CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842474 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842475 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842476 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842477 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCC4)N1 ZINC000587842532 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCC4)N1 ZINC000587842533 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842534 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842535 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842540 JK Annotated Clean Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842541 JK Annotated Clean Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842542 JK Annotated Clean Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842543 JK Annotated Clean Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587842560 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587842561 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587842562 JK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587842563 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccc(O)cc3O2)cc1O ZINC000587842568 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccc(O)cc3O2)cc1O ZINC000587842569 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccc(O)cc3O2)cc1O ZINC000587842570 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccc(O)cc3O2)cc1O ZINC000587842571 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCC4)N1 ZINC000587842601 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCC4)N1 ZINC000587842602 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842603 JK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842604 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587842697 JK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842699 JK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842700 JK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842701 JK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842702 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587842704 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587842706 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587842708 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842726 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842727 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842728 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncccc2C(=O)O)(c2ccccc2)N1 ZINC000587842729 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587842730 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587842731 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587842732 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 ZINC000587842733 JK Annotated Bother C=CCSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1Cc1ccccc1 ZINC000587842750 JK Annotated Mild C=CCSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1Cc1ccccc1 ZINC000587842751 JK Annotated Mild C=CCSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1Cc1ccccc1 ZINC000587842752 JK Annotated Mild C=CCSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1Cc1ccccc1 ZINC000587842753 JK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccccn1 ZINC000587842814 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccccn1 ZINC000587842816 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccccn1 ZINC000587842817 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccccn1 ZINC000587842818 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587842823 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587842824 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587842825 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587842826 JK Annotated Anodyne CCCc1sc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587842878 JK Annotated Anodyne CCCc1sc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587842879 JK Annotated Anodyne CCCc1sc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587842880 JK Annotated Anodyne CCCc1sc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587842881 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc(C)c1C ZINC000587842910 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc(C)c1C ZINC000587842911 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc(C)c1C ZINC000587842912 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc(C)c1C ZINC000587842913 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccc(O)cc3O2)cc1O ZINC000587842924 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccc(O)cc3O2)cc1O ZINC000587842925 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccc(O)cc3O2)cc1O ZINC000587842926 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccc(O)cc3O2)cc1O ZINC000587842927 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842928 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842931 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842934 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842937 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587842939 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587842941 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587842943 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000587842945 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587842985 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587842987 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587842989 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587842991 JK Annotated Anodyne CSc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O ZINC000587843083 JK Annotated Reactive CSc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O ZINC000587843091 JK Annotated Reactive CSc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O ZINC000587843094 JK Annotated Reactive CSc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1NC(C)=O ZINC000587843095 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843146 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843147 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843148 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843149 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843150 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843151 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843152 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843153 JK Annotated Anodyne Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843158 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843159 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843160 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843161 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587843162 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587843163 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587843164 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587843165 JK Annotated Bother COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ncccn1 ZINC000587843178 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ncccn1 ZINC000587843179 JK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ncccn1 ZINC000587843180 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ncccn1 ZINC000587843181 JK Annotated Anodyne CSc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843186 JK Annotated Reactive CSc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843187 JK Annotated Reactive CSc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843188 JK Annotated Reactive CSc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843189 JK Annotated Reactive C=CCSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1Cc1ccccc1 ZINC000587843220 JK Annotated Mild C=CCSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1Cc1ccccc1 ZINC000587843222 JK Annotated Mild C=CCSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1Cc1ccccc1 ZINC000587843224 JK Annotated Mild C=CCSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1Cc1ccccc1 ZINC000587843226 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587843280 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587843281 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587843282 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccccc2Cl)N1 ZINC000587843283 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587843418 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587843419 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587843420 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587843421 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587843444 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587843445 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587843448 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587843449 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843478 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843480 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843482 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Sc2ccccc2Cl)N1 ZINC000587843486 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843488 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843493 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843496 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843499 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843501 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843503 JK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843504 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843506 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843536 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843537 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843539 JK Annotated Anodyne COC1=C(c2ccccc2)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843541 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587843567 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587843570 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587843571 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 ZINC000587843573 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843578 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843580 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843581 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587843582 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843583 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587843593 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587843594 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)N1 ZINC000587843597 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843603 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2scc(Br)c2Br)N1 ZINC000587843604 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2scc(Br)c2Br)N1 ZINC000587843606 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scc(Br)c2Br)N1 ZINC000587843608 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843610 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scc(Br)c2Br)N1 ZINC000587843611 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843612 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843614 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843615 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843616 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843617 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843618 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843619 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843620 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843622 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843624 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587843629 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587843631 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587843632 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587843637 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587843638 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587843640 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2sccc2Br)N1 ZINC000587843691 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2sccc2Br)N1 ZINC000587843693 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2sccc2Br)N1 ZINC000587843694 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2sccc2Br)N1 ZINC000587843696 JK Annotated Reactive CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843697 JK Annotated Anodyne CC1=C(c2ccccc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843701 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843702 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843703 JK Annotated Anodyne CC1=C(c2ccccc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843704 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843705 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843707 JK Annotated Anodyne CC1=C(c2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843708 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587843724 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587843725 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587843726 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587843727 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587843736 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587843737 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843738 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843739 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843740 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587843741 JK Annotated Bother CSc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843750 JK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843751 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843752 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843753 JK Annotated Anodyne CSc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843763 JK Annotated Reactive CSc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843764 JK Annotated Reactive CSc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843765 JK Annotated Reactive CSc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843766 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587843778 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587843781 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843783 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843788 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CSc3ncccn3)c2)N1 ZINC000587843792 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587843799 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587843801 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587843802 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587843804 JK Annotated Anodyne Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843817 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Cl)N1 ZINC000587843820 JK Annotated Reactive Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843822 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Cl)N1 ZINC000587843823 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Cl)N1 ZINC000587843825 JK Annotated Reactive Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843826 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Cl)N1 ZINC000587843827 JK Annotated Reactive Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843831 JK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSCc1ccco1 ZINC000587843843 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843854 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843856 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843858 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSCc1ccco1 ZINC000587843863 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSCc1ccco1 ZINC000587843864 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSCc1ccco1 ZINC000587843866 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587843938 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587843940 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587843942 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843944 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587843945 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843947 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587843948 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843950 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587843951 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccc(Cl)cc2)N1 ZINC000587843952 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587843954 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587843957 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587843967 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587843978 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587843980 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587843982 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587844007 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587844009 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587844011 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587844014 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587844042 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587844043 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587844044 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587844045 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844074 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844075 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844076 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844077 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844102 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587844103 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587844104 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587844105 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccsc3C#N)cc2)N1 ZINC000587844106 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844109 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844111 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587844132 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587844136 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587844137 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587844138 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587844206 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587844207 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587844209 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587844210 JK Annotated Bother COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc1OC ZINC000587844217 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc1OC ZINC000587844218 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc1OC ZINC000587844219 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc1OC ZINC000587844220 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844229 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844230 JK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844231 JK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844232 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587844252 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844261 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844262 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844263 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844264 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587844265 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587844267 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587844269 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc1OC ZINC000587844281 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc1OC ZINC000587844283 JK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc1OC ZINC000587844286 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587844287 JK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc1OC ZINC000587844288 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587844289 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587844290 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587844294 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2sccc2Br)N1 ZINC000587844370 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2sccc2Br)N1 ZINC000587844371 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2sccc2Br)N1 ZINC000587844372 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2sccc2Br)N1 ZINC000587844373 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587844382 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587844383 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587844384 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3Cl)nc2)N1 ZINC000587844385 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2sccc2Br)N1 ZINC000587844414 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2sccc2Br)N1 ZINC000587844415 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2sccc2Br)N1 ZINC000587844416 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2sccc2Br)N1 ZINC000587844417 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587844458 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587844459 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587844460 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587844461 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844486 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844487 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844488 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844489 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587844494 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587844495 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587844496 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587844497 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844502 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844503 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844504 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844505 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(Br)s2)N1 ZINC000587844574 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(Br)s2)N1 ZINC000587844576 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(Br)s2)N1 ZINC000587844578 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(Br)s2)N1 ZINC000587844580 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587844602 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587844604 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587844606 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587844608 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844637 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844643 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844645 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844647 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844685 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844688 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587844689 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844690 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)N1 ZINC000587844692 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587844694 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587844697 JK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587844700 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587844729 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844738 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587844739 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844740 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587844741 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587844742 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844743 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)N1 ZINC000587844746 JK Annotated Anodyne CSc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O ZINC000587844750 JK Annotated Reactive CSc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O ZINC000587844752 JK Annotated Reactive CSc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O ZINC000587844753 JK Annotated Reactive CSc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O ZINC000587844756 JK Annotated Reactive CCC[C@@]1(c2cc3cccc(OC)c3oc2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844836 JK Annotated Anodyne CCC[C@]1(c2cc3cccc(OC)c3oc2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844837 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844858 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844859 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844860 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3Cl)s2)N1 ZINC000587844861 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587844866 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587844867 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587844868 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587844869 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587844889 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587844890 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587844892 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587844894 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844896 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844898 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844900 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Br)s2)N1 ZINC000587844902 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844949 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844950 JK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844952 JK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844956 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587844958 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587844961 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587844962 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N=C=S)cc2)N1 ZINC000587844964 JK Annotated Reactive Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587844966 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587844968 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587844970 JK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587844973 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587844981 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587844983 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587844984 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587844986 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2sccc2Br)N1 ZINC000587845033 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2sccc2Br)N1 ZINC000587845035 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2sccc2Br)N1 ZINC000587845036 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2sccc2Br)N1 ZINC000587845037 JK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1CSc1ccccc1 ZINC000587845046 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1CSc1ccccc1 ZINC000587845047 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1CSc1ccccc1 ZINC000587845048 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1CSc1ccccc1 ZINC000587845049 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587845050 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587845051 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587845052 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587845053 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845058 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845059 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845060 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845061 JK Annotated Reactive COc1ccc(Sc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845078 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845079 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845080 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845081 JK Annotated Anodyne CSc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O ZINC000587845082 JK Annotated Reactive CSc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O ZINC000587845083 JK Annotated Reactive CSc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O ZINC000587845084 JK Annotated Reactive CSc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1NC(C)=O ZINC000587845085 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587845086 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587845087 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587845088 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CSc3ccccc3)nn(C)c2Cl)N1 ZINC000587845089 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845110 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845111 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845112 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587845113 JK Annotated Reactive CCC[C@@]1(c2cc3cccc(OC)c3oc2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845138 JK Annotated Anodyne CCC[C@]1(c2cc3cccc(OC)c3oc2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845139 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587845200 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587845201 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587845202 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587845203 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845249 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845250 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845251 JK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845252 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845267 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845269 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845272 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845274 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587845307 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587845309 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587845312 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587845315 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587845317 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587845321 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587845323 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587845326 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587845393 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587845396 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587845398 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587845401 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845405 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845407 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc(C)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845411 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc(C)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845412 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587845441 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587845443 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587845444 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587845445 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587845446 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccsc2N)N1 ZINC000587845447 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587845448 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587845452 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587845479 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587845481 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587845482 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587845483 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587845504 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587845505 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587845506 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587845507 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccc(C)cc1 ZINC000587845576 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccc(C)cc1 ZINC000587845577 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccc(C)cc1 ZINC000587845578 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ccc(C)cc1 ZINC000587845579 JK Annotated Anodyne COCCSC1=C(C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587845592 JK Annotated Mild COCCSC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587845593 JK Annotated Mild COCCSC1=C(C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587845594 JK Annotated Mild COCCSC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587845595 JK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSCc1ccco1 ZINC000587845600 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSCc1ccco1 ZINC000587845601 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSCc1ccco1 ZINC000587845602 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSCc1ccco1 ZINC000587845603 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccccn1 ZINC000587845620 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccccn1 ZINC000587845621 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccccn1 ZINC000587845622 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccccn1 ZINC000587845623 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587845727 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587845728 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587845730 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)nc2)N1 ZINC000587845732 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587845734 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587845739 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587845741 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587845743 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587845745 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587845748 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587845750 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587845752 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587845765 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587845767 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587845768 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587845769 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587845770 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587845771 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587845772 JK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587845773 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587845809 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587845812 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587845814 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587845816 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cc(Br)cs3)CC2)N1 ZINC000587845824 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cc(Br)cs3)CC2)N1 ZINC000587845825 JK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccc(C)cc1 ZINC000587845841 JK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccc(C)cc1 ZINC000587845842 JK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccc(C)cc1 ZINC000587845843 JK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1ccc(C)cc1 ZINC000587845844 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845845 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845846 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845847 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845848 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845873 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845874 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845875 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Br)cc2)N1 ZINC000587845876 JK Annotated Reactive COC1=COC(COc2ccc(SC)cc2)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587845877 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587845879 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587845881 JK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587845882 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587845894 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587845897 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587845935 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587845938 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587845940 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587845943 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587845996 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587845997 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587845998 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587845999 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587846004 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587846005 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587846006 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587846007 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587846038 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587846039 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587846040 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587846041 JK Annotated Reactive CCOC(=O)c1c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc(C)c1C ZINC000587846069 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc(C)c1C ZINC000587846070 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc(C)c1C ZINC000587846071 JK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc(C)c1C ZINC000587846072 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846088 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846098 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846099 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846100 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846116 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846118 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846120 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846121 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587846129 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587846133 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587846135 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587846137 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587846149 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587846155 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587846157 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587846158 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(Br)s2)N1 ZINC000587846175 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(Br)s2)N1 ZINC000587846177 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(Br)s2)N1 ZINC000587846178 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(Br)s2)N1 ZINC000587846180 JK Annotated Anodyne Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846201 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846203 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846205 JK Annotated Mild Cc1ccc(C)n1-c1ccsc1[C@@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846207 JK Annotated Mild CSc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O ZINC000587846228 JK Annotated Reactive CSc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O ZINC000587846229 JK Annotated Reactive CSc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O ZINC000587846230 JK Annotated Reactive CSc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O ZINC000587846231 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587846232 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587846233 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587846234 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3Cl)cc2)N1 ZINC000587846235 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587846260 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587846261 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587846262 JK Annotated Anodyne COc1cccc(Sc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587846263 JK Annotated Anodyne CSC1=C(SC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587846264 JK Annotated Mild CSC1=C(SC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587846265 JK Annotated Mild CSC1=C(SC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587846266 JK Annotated Mild CSC1=C(SC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587846267 JK Annotated Mild Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587846284 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587846285 JK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587846286 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587846287 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846306 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846307 JK Annotated Anodyne CSC(=C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846308 JK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846309 JK Annotated Anodyne CSc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846326 JK Annotated Reactive CSc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846327 JK Annotated Reactive CCCCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846340 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846341 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846342 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846343 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587846344 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587846345 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587846346 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587846347 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587846412 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587846426 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587846427 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587846428 JK Annotated Anodyne CCCCCCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846455 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846465 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846467 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846469 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587846495 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587846496 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587846497 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587846498 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587846521 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587846524 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587846531 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587846536 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587846548 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587846552 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587846553 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587846556 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Br)c2Br)N1 ZINC000587846559 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Br)c2Br)N1 ZINC000587846561 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Br)c2Br)N1 ZINC000587846562 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Br)c2Br)N1 ZINC000587846566 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587846587 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Br)N1 ZINC000587846588 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587846589 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Br)N1 ZINC000587846590 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2sccc2Br)N1 ZINC000587846591 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2sccc2Br)N1 ZINC000587846592 JK Annotated Reactive Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846642 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846643 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846644 JK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846646 JK Annotated Anodyne CSc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846682 JK Annotated Reactive CSc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846683 JK Annotated Reactive Cc1ccc(Sc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587846684 JK Annotated Anodyne Cc1ccc(Sc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587846686 JK Annotated Anodyne Cc1ccc(Sc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587846688 JK Annotated Anodyne Cc1ccc(Sc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)cc1 ZINC000587846689 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587846695 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587846697 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587846699 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 ZINC000587846700 JK Annotated Bother COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ncccn1 ZINC000587846710 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ncccn1 ZINC000587846711 JK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ncccn1 ZINC000587846712 JK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1ncccn1 ZINC000587846713 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587846752 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587846753 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587846754 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(SC(=O)N(C)C)ccc32)N1 ZINC000587846755 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846782 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846783 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846784 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846785 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587846799 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)s3)s2)N1 ZINC000587846800 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846816 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846817 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846818 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846819 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)s1 ZINC000587846820 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)s1 ZINC000587846821 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)s1 ZINC000587846822 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)s1 ZINC000587846823 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587846980 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587846982 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587846983 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587846984 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587846985 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(Br)s2)N1 ZINC000587846986 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587846987 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587846989 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2sccc2Br)N1 ZINC000587847049 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2sccc2Br)N1 ZINC000587847051 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2sccc2Br)N1 ZINC000587847053 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2sccc2Br)N1 ZINC000587847054 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587847092 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587847093 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587847094 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Sc3nc4ccccc4o3)CCCC2)N1 ZINC000587847095 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Br)c2Br)N1 ZINC000587847096 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Br)c2Br)N1 ZINC000587847097 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Br)c2Br)N1 ZINC000587847098 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Br)c2Br)N1 ZINC000587847099 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Br)s2)N1 ZINC000587847105 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Br)s2)N1 ZINC000587847106 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Br)s2)N1 ZINC000587847108 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Br)s2)N1 ZINC000587847109 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847137 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847144 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847146 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847148 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587847195 JK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587847197 JK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587847199 JK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587847201 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847214 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847215 JK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847216 JK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847217 JK Annotated Anodyne Cc1ccc(Sc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587847230 JK Annotated Anodyne Cc1ccc(Sc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587847232 JK Annotated Anodyne Cc1ccc(Sc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587847235 JK Annotated Anodyne Cc1ccc(Sc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)cc1 ZINC000587847241 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587847244 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587847246 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587847248 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 ZINC000587847250 JK Annotated Bother CSc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587847252 JK Annotated Clean CSc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587847254 JK Annotated Clean CSc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587847256 JK Annotated Clean CSc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)c2)cc1 ZINC000587847257 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(Br)Br)N1 ZINC000587847290 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(Br)Br)N1 ZINC000587847292 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(Br)Br)N1 ZINC000587847293 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(Br)Br)N1 ZINC000587847295 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587847325 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587847326 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587847327 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587847328 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2scc(Br)c2Br)N1 ZINC000587847341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2scc(Br)c2Br)N1 ZINC000587847342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scc(Br)c2Br)N1 ZINC000587847343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scc(Br)c2Br)N1 ZINC000587847344 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)sc2Br)N1 ZINC000587847359 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)sc2Br)N1 ZINC000587847360 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)sc2Br)N1 ZINC000587847361 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)sc2Br)N1 ZINC000587847362 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)sc2Br)N1 ZINC000587847375 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)sc2Br)N1 ZINC000587847376 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)sc2Br)N1 ZINC000587847377 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)sc2Br)N1 ZINC000587847378 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Br)s2)N1 ZINC000587847395 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Br)s2)N1 ZINC000587847396 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Br)s2)N1 ZINC000587847397 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Br)s2)N1 ZINC000587847398 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587847441 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587847442 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587847443 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587847444 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587847454 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587847456 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587847458 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(CC#N)s2)N1 ZINC000587847461 JK Annotated Mild COc1ccc([C@@]2(c3ccc(CC#N)s3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847499 JK Annotated Mild COc1ccc(Sc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847505 JK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847506 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(CC#N)s3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847508 JK Annotated Mild COc1ccc(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847509 JK Annotated Anodyne COc1ccc([C@@]2(c3ccc(CC#N)s3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847510 JK Annotated Mild COc1ccc(Sc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847511 JK Annotated Anodyne COc1ccc([C@]2(c3ccc(CC#N)s3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847513 JK Annotated Mild Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847586 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847589 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847594 JK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847597 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587847708 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587847709 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587847710 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587847711 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Br)N1 ZINC000587847824 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Br)N1 ZINC000587847825 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2sccc2Br)N1 ZINC000587847826 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2sccc2Br)N1 ZINC000587847827 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587847836 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587847837 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587847838 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccc(Cl)cc2Cl)N1 ZINC000587847839 JK Annotated Anodyne CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847840 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847841 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847842 JK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847843 JK Annotated Mild CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)s1 ZINC000587847866 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)s1 ZINC000587847867 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)s1 ZINC000587847868 JK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)s1 ZINC000587847869 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587847878 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587847879 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587847880 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587847881 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587847934 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587847935 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587847936 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Br)s2)N1 ZINC000587847937 JK Annotated Reactive COc1ccc(OC)c(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848000 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848001 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848002 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848003 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587848028 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587848029 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587848030 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587848031 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848048 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848057 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848058 JK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848059 JK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848060 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848076 JK Annotated Anodyne Cc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Cl)cn1 ZINC000587848078 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848079 JK Annotated Anodyne Cc1sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Cl)cn1 ZINC000587848080 JK Annotated Anodyne Cc1sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Cl)cn1 ZINC000587848081 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848082 JK Annotated Anodyne Cc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Cl)cn1 ZINC000587848083 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2scc(Br)c2Br)N1 ZINC000587848112 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2scc(Br)c2Br)N1 ZINC000587848113 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2scc(Br)c2Br)N1 ZINC000587848114 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2scc(Br)c2Br)N1 ZINC000587848115 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848245 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848246 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848247 JK Annotated Anodyne CCCCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848249 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587848280 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587848281 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587848283 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587848284 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587848286 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587848287 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587848288 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587848291 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587848340 JK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587848343 JK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587848347 JK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587848350 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587848376 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587848379 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587848381 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587848383 JK Annotated Anodyne COCCSC1=C(C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587848461 JK Annotated Mild COCCSC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587848464 JK Annotated Mild COCCSC1=C(C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587848465 JK Annotated Mild COCCSC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587848466 JK Annotated Mild CSc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848481 JK Annotated Reactive CSc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848482 JK Annotated Reactive CSc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848483 JK Annotated Reactive CSc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848484 JK Annotated Reactive Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848489 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848491 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848492 JK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848493 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587848498 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587848499 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587848500 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2C(=O)O)(c2ccccc2)N1 ZINC000587848501 JK Annotated Anodyne COCCSC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587848519 JK Annotated Mild COCCSC1=C(C)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587848521 JK Annotated Mild COCCSC1=C(C)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587848522 JK Annotated Mild COCCSC1=C(C)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587848523 JK Annotated Mild CC(C)[C@]1(CCc2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848610 JK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848611 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848612 JK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848613 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848630 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848631 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848632 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848633 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)s2)N1 ZINC000587848646 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)s2)N1 ZINC000587848647 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)s2)N1 ZINC000587848648 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)s2)N1 ZINC000587848649 JK Annotated Reactive Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848654 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848655 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848656 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848657 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)s2)N1 ZINC000587848670 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)s2)N1 ZINC000587848671 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)s2)N1 ZINC000587848672 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)s2)N1 ZINC000587848673 JK Annotated Reactive COc1ccc([C@]2(c3ccc(CC#N)s3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848682 JK Annotated Mild COc1ccc([C@@]2(c3ccc(CC#N)s3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848683 JK Annotated Mild COc1ccc([C@]2(c3ccc(CC#N)s3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848684 JK Annotated Mild COc1ccc([C@@]2(c3ccc(CC#N)s3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848685 JK Annotated Mild COc1ccc(OC)c(Sc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848775 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848776 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848777 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848778 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848779 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848780 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848781 JK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848782 JK Annotated Anodyne CSC1=C(SC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587848800 JK Annotated Mild CSC1=C(SC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587848801 JK Annotated Mild CSC1=C(SC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587848802 JK Annotated Mild CSC1=C(SC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587848803 JK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1CSc1ccccc1 ZINC000587848804 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1CSc1ccccc1 ZINC000587848805 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1CSc1ccccc1 ZINC000587848806 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1CSc1ccccc1 ZINC000587848807 JK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848853 JK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848855 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848857 JK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848906 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848907 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848908 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848909 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848954 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848955 JK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848956 JK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848957 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848966 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848967 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848968 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Br)s2)N1 ZINC000587848969 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849000 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849001 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849002 JK Annotated Anodyne CCSc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849003 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587849008 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587849009 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587849010 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Sc2ccc(Cl)cc2)N1 ZINC000587849011 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587849063 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587849065 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587849066 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587849068 JK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587849108 JK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587849110 JK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587849113 JK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587849115 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849242 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849243 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849245 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849247 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849294 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849295 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849296 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849297 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587849310 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587849311 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587849312 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Br)c3)s2)N1 ZINC000587849313 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849322 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849323 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849324 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849325 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849326 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849327 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849328 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000587849329 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587849330 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587849331 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587849332 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\Nc3ccccc3NC2=O)(c2cccs2)N1 ZINC000587849333 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849338 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849339 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849340 JK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849341 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849344 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849345 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587849346 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587849347 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587849348 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(CNC(=O)C(C)(C)C)s2)N1 ZINC000587849349 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587849370 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587849372 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587849374 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587849375 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587849422 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587849423 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587849424 JK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)N1 ZINC000587849425 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849438 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849439 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849440 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849441 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587849470 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587849471 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587849472 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCS(=O)(=O)c2cc(Cl)ccc2Cl)N1 ZINC000587849473 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849486 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849487 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849488 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(=O)(=O)c2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587849489 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1csc(C)n1 ZINC000587849496 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1csc(C)n1 ZINC000587849497 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1csc(C)n1 ZINC000587849498 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1csc(C)n1 ZINC000587849499 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1cccs1)Cc1cc(N)ccc12 ZINC000587849504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1cccs1)Cc1cc(N)ccc12 ZINC000587849505 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cccs1)Cc1cc(N)ccc12 ZINC000587849506 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cccs1)Cc1cc(N)ccc12 ZINC000587849507 JK Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849520 JK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849521 JK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849522 JK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849523 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849540 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849541 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849542 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849543 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587849556 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587849557 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587849558 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587849559 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587849568 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587849569 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587849570 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587849571 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849590 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849597 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849599 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849601 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849603 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849604 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849605 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587849606 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849626 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849627 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849628 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849629 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587849634 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587849635 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587849636 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)N1 ZINC000587849637 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587849650 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587849651 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587849652 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)c2cccs2)(c2cccs2)N1 ZINC000587849653 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849670 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849671 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849672 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Br)s2)(C(C)(C)C)N1 ZINC000587849673 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587849698 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587849699 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587849700 JK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587849701 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849702 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849703 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849704 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587849705 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849766 JK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849767 JK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849768 JK Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849769 JK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587849798 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587849799 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587849800 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)N1 ZINC000587849801 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849802 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849803 JK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849804 JK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849805 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587849806 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587849807 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587849808 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587849809 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849810 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849811 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849812 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)N1 ZINC000587849813 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849830 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849831 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849832 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3Br)s2)N1 ZINC000587849833 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Br)nc2Br)N1 ZINC000587849874 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)s2)N1 ZINC000587849875 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)s2)N1 ZINC000587849876 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)s2)N1 ZINC000587849877 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)s2)N1 ZINC000587849878 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Br)nc2Br)N1 ZINC000587849883 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Br)nc2Br)N1 ZINC000587849885 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Br)nc2Br)N1 ZINC000587849887 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849904 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849906 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849908 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(Br)cc3)n2)N1 ZINC000587849910 JK Annotated Anodyne COc1ccc(OCc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587849922 JK Annotated Anodyne COc1ccc(OCc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587849923 JK Annotated Anodyne COc1ccc(OCc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587849924 JK Annotated Anodyne COc1ccc(OCc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587849925 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587849942 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587849943 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587849944 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587849945 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849946 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849947 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849948 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849949 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 ZINC000587849962 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 ZINC000587849963 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 ZINC000587849964 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1cccs1 ZINC000587849965 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587849972 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587849973 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587849974 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587849975 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587849976 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587849977 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587849978 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587849979 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587849984 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587849985 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587849986 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587849987 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850090 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850092 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850094 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850096 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)s2)N1 ZINC000587850162 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)s2)N1 ZINC000587850163 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)s2)N1 ZINC000587850164 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)s2)N1 ZINC000587850165 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587850174 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587850175 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587850176 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)s2)N1 ZINC000587850177 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850178 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850179 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850180 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850181 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850242 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850243 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850244 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850246 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587850257 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587850258 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587850259 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)N1 ZINC000587850262 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850285 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850288 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850291 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850294 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587850314 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587850321 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587850324 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587850327 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587850339 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587850342 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587850345 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587850348 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587850351 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587850353 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587850355 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)N1 ZINC000587850358 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587850389 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587850390 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587850393 JK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587850397 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(Br)Br)N1 ZINC000587850407 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(Br)Br)N1 ZINC000587850409 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(Br)Br)N1 ZINC000587850410 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(Br)Br)N1 ZINC000587850412 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587850461 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587850463 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587850464 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 ZINC000587850465 JK Annotated Reactive Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587850488 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587850489 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587850490 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587850491 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cc(Br)cs3)CC2)N1 ZINC000587850494 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cc(Br)cs3)CC2)N1 ZINC000587850495 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850524 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850525 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850526 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Br)s2)N1 ZINC000587850527 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850532 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850533 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850534 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850535 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850572 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850573 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850574 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2cccs2)N1 ZINC000587850575 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850600 JK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850601 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850602 JK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850603 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850620 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850621 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850622 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850623 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850630 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850639 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850641 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587850643 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850651 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850653 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850656 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850658 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850691 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850693 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850695 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850697 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587850719 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587850721 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587850723 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587850725 JK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850727 JK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850728 JK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850730 JK Annotated Unstable CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850731 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587850774 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587850775 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587850776 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587850777 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587850786 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587850787 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850789 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850790 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587850791 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850800 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850801 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850802 JK Annotated Anodyne CCCCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850803 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587850812 JK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587850813 JK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587850814 JK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587850815 JK Annotated Unstable CCCCCCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850844 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850845 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850846 JK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850847 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587850856 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587850857 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587850858 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)N1 ZINC000587850859 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850864 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850865 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850866 JK Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587850867 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587850876 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587850877 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587850888 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587850889 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1cccs1)Cc1cc(N)ccc12 ZINC000587850906 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cccs1)Cc1cc(N)ccc12 ZINC000587850907 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1cccs1)Cc1cc(N)ccc12 ZINC000587850908 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cccs1)Cc1cc(N)ccc12 ZINC000587850909 JK Annotated Anodyne CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850914 JK Annotated Mild CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850915 JK Annotated Mild CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850916 JK Annotated Mild CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850917 JK Annotated Mild Cc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850918 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850919 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850920 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850921 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850926 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850927 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850928 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850929 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1)C1CC1 ZINC000587850930 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1)C1CC1 ZINC000587850931 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1)C1CC1 ZINC000587850932 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1)C1CC1 ZINC000587850933 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587850962 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587850963 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587850964 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCCCC3)nc2-c2cccs2)N1 ZINC000587850965 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850986 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850987 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587851014 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587851015 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587851016 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)N1 ZINC000587851017 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587851024 JK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587851025 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587851026 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587851027 JK Annotated Clean Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851104 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851105 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851106 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851109 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851112 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851114 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1N ZINC000587851159 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1N ZINC000587851160 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1N ZINC000587851161 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1N ZINC000587851162 JK Annotated Anodyne Cc1cnc(SC[C@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851194 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587851195 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587851196 JK Annotated Anodyne Cc1cnc(SC[C@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851197 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587851198 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851199 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000587851200 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851201 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587851230 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587851231 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587851232 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587851233 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587851234 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587851235 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587851236 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587851238 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 ZINC000587851243 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 ZINC000587851244 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 ZINC000587851246 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccs1 ZINC000587851248 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Br)nc2Br)N1 ZINC000587851260 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Br)nc2Br)N1 ZINC000587851261 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Br)nc2Br)N1 ZINC000587851262 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Br)nc2Br)N1 ZINC000587851263 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587851264 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587851265 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587851266 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587851267 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cccs1)CC/C2=C\c1cccs1 ZINC000587851272 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1cccs1)CC/C2=C\c1cccs1 ZINC000587851273 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cccs1)CC/C2=C\c1cccs1 ZINC000587851274 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1cccs1)CC/C2=C\c1cccs1 ZINC000587851275 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587851289 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587851301 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587851303 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587851306 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587851311 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587851312 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587851313 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587851314 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587851315 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587851316 JK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587851317 JK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)N1 ZINC000587851318 JK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587851327 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587851328 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587851329 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)N1 ZINC000587851330 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587851331 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587851332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587851333 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587851334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587851335 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587851336 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587851337 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)N1 ZINC000587851338 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587851339 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587851340 JK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587851341 JK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587851342 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587851371 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587851372 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587851373 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CS(=O)(=O)c2ccccc2)N1 ZINC000587851374 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851379 JK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851380 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851381 JK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851382 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587851396 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587851397 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587851398 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587851399 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cnc(Cl)s1 ZINC000587851420 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cnc(Cl)s1 ZINC000587851421 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cnc(Cl)s1 ZINC000587851422 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cnc(Cl)s1 ZINC000587851423 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851432 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851433 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851434 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851436 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851485 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851486 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851488 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851491 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587851492 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587851504 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587851506 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587851508 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851567 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851568 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851571 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587851573 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851576 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851578 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851582 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851585 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587851587 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587851590 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587851594 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587851597 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587851601 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587851604 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587851607 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587851610 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851613 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851621 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851624 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851626 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851694 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851695 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851696 JK Annotated Anodyne Cc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851697 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587851698 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587851699 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587851700 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587851701 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587851710 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587851711 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587851712 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587851713 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587851726 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587851727 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587851728 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587851729 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851746 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851747 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851748 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851749 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587851788 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587851789 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587851790 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587851791 JK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c2ccccc12 ZINC000587851796 JK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c2ccccc12 ZINC000587851797 JK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c2ccccc12 ZINC000587851798 JK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c2ccccc12 ZINC000587851799 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587851804 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587851805 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587851806 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587851807 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 ZINC000587851808 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 ZINC000587851809 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 ZINC000587851810 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 ZINC000587851811 JK Annotated Reactive COc1ccc(OC)c(Nc2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587851852 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587851854 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587851856 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587851858 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587851888 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587851889 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587851890 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)N1 ZINC000587851892 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587851911 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587851912 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587851913 JK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587851914 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587851915 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587851916 JK Annotated Anodyne COP(=O)(C[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587851917 JK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587851918 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851927 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851928 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851929 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851930 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851931 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851932 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851933 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851934 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851943 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851944 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851945 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)N1 ZINC000587851946 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851951 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851952 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851953 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)C3CCCC3)cc2)N1 ZINC000587851954 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 ZINC000587852080 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 ZINC000587852081 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 ZINC000587852082 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 ZINC000587852083 JK Annotated Reactive Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852090 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852091 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852092 JK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852093 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852108 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852112 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852116 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852118 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587852150 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852151 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587852152 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587852153 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852154 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587852155 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852157 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852160 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852168 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852170 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852171 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852173 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587852200 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587852201 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587852202 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587852203 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc3ccccc3c2Br)N1 ZINC000587852208 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc3ccccc3c2Br)N1 ZINC000587852209 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc3ccccc3c2Br)N1 ZINC000587852210 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc3ccccc3c2Br)N1 ZINC000587852211 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc3ccccc3c2Br)N1 ZINC000587852216 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc3ccccc3c2Br)N1 ZINC000587852217 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc3ccccc3c2Br)N1 ZINC000587852218 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc3ccccc3c2Br)N1 ZINC000587852219 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587852302 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587852303 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587852304 JK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)N1 ZINC000587852305 JK Annotated Clean COc1ccc(N(C(C)=O)c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587852322 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587852323 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587852324 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587852325 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852334 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852335 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852336 JK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852337 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852350 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852351 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852352 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852353 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587852393 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587852395 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587852397 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587852399 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587852401 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587852403 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587852405 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587852407 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852433 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852436 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852438 JK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852440 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587852484 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587852485 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587852486 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Nc3ccccc3Cl)nc2Cl)N1 ZINC000587852487 JK Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852500 JK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852501 JK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852502 JK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852503 JK Annotated Reactive Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852526 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852527 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852528 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852529 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852530 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852531 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852532 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852533 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852558 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852559 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852560 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852561 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccsc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587852574 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccsc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587852575 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccsc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587852576 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccsc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587852577 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852578 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852579 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852580 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852581 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1c(C)cccc1C ZINC000587852624 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1c(C)cccc1C ZINC000587852625 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1c(C)cccc1C ZINC000587852626 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1c(C)cccc1C ZINC000587852627 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852644 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852645 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852646 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852647 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587852652 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587852653 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587852654 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1 ZINC000587852655 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587852676 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587852677 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587852678 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2sc(Cl)nc2Cl)(c2ccccc2)N1 ZINC000587852679 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1)C1CC1 ZINC000587852680 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1)C1CC1 ZINC000587852681 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1)C1CC1 ZINC000587852682 JK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1)C1CC1 ZINC000587852683 JK Annotated Anodyne COc1ccc(OCc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852696 JK Annotated Anodyne COc1ccc(OCc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852697 JK Annotated Anodyne COc1ccc(OCc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852698 JK Annotated Anodyne COc1ccc(OCc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587852699 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852722 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852723 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852724 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852725 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587852746 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587852747 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587852748 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587852749 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587852750 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587852751 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587852752 JK Annotated Anodyne CCc1ccc(Nc2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587852753 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587852764 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587852765 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587852766 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc4ccccc4c3)cs2)N1 ZINC000587852767 JK Annotated Anodyne Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852788 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852789 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852790 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852791 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587852792 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587852793 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587852794 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587852795 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587852808 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587852809 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587852810 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587852811 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587852858 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587852859 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587852860 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2cccc3ccccc23)N1 ZINC000587852861 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852882 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852883 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852884 JK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852885 JK Annotated Anodyne Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587852940 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587852941 JK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587852942 JK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587852943 JK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852952 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852953 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852954 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587852955 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587852984 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587852985 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587852986 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587852987 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853008 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853009 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853010 JK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853011 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853018 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853019 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853020 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853021 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1c(C)cccc1C ZINC000587853034 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853035 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1c(C)cccc1C ZINC000587853036 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1c(C)cccc1C ZINC000587853037 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853038 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1c(C)cccc1C ZINC000587853039 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853040 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853041 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853042 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853043 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853044 JK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853047 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853113 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853115 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853117 JK Annotated Anodyne COc1c(C)cc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853120 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853187 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853189 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853191 JK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853193 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587853214 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587853215 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587853216 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCOCC3)nc2-c2ccccc2)N1 ZINC000587853217 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853228 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853229 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853230 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853231 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cnc(Cl)s1 ZINC000587853270 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cnc(Cl)s1 ZINC000587853271 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cnc(Cl)s1 ZINC000587853272 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cnc(Cl)s1 ZINC000587853273 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853290 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853291 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853292 JK Annotated Anodyne CC(=O)N(c1ccccc1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853293 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853306 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853307 JK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853308 JK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853309 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587853318 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587853319 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587853320 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587853321 JK Annotated Reactive CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587853322 JK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587853323 JK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587853324 JK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587853325 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853326 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853327 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853328 JK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853329 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853402 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853403 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853404 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853405 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587853450 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587853451 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587853452 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(S)s2)(c2ccccc2)N1 ZINC000587853453 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587853470 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587853471 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587853472 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587853473 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587853474 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587853475 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587853476 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587853477 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587853486 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587853487 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587853488 JK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587853489 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853494 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853495 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853496 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853497 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853506 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853507 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853508 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)N1 ZINC000587853509 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)S1 ZINC000587853564 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)S1 ZINC000587853565 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)S1 ZINC000587853566 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)S1 ZINC000587853569 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000587853600 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587853608 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587853613 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(Br)cccc3s2)N1 ZINC000587853614 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(Br)cccc3s2)N1 ZINC000587853615 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(Br)cccc3s2)N1 ZINC000587853616 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(Br)cccc3s2)N1 ZINC000587853617 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587853618 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587853624 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587853626 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000587853627 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587853628 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587853629 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587853631 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587853632 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587853638 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F ZINC000587853639 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587853640 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587853642 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@@H]2C(F)(F)F ZINC000587853643 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F ZINC000587853645 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC000587853646 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587853654 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587853657 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587853658 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587853660 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587853661 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(N)sc1-c1ccc(F)cc1 ZINC000587853665 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc([N+](=O)[O-])cc1Br ZINC000587853666 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1C(F)(F)F ZINC000587853672 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587853723 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587853724 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587853725 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccc3Br)n2)N1 ZINC000587853726 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000587853733 JK Annotated Anodyne Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 ZINC000587853735 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 ZINC000587853737 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 ZINC000587853741 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)n1 ZINC000587853744 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000587853753 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853760 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853763 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853765 JK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587853768 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853770 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853772 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853774 JK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587853776 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853781 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853783 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853784 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853786 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853798 JK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853801 JK Annotated Clean Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853803 JK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1cc(Br)cn1 ZINC000587853805 JK Annotated Anodyne Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853806 JK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000587853808 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587853826 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587853828 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587853830 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587853832 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853863 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853865 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853867 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587853868 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587853869 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2oc3ccccc3c2N)N1 ZINC000587853870 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587853871 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587853873 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587853879 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587853888 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587853891 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587853894 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1cccc(C)c1C ZINC000587853897 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)c1cccc(C)c1C ZINC000587853900 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1cccc(C)c1C ZINC000587853902 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)c1cccc(C)c1C ZINC000587853905 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853906 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853908 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853910 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853913 JK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c2ccccc12 ZINC000587853921 JK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c2ccccc12 ZINC000587853922 JK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c2ccccc12 ZINC000587853924 JK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c2ccccc12 ZINC000587853925 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C ZINC000587853927 JK Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587853934 JK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587853936 JK Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587853938 JK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587853940 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587853941 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587853943 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587853944 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)N1 ZINC000587853946 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C ZINC000587853957 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587853971 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587853972 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587853989 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587853990 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000587853995 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587854011 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)nc(C)c1I ZINC000587854013 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000587854014 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000587854016 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(F)cc1Br ZINC000587854017 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587854078 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587854080 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587854081 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587854082 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587854083 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587854084 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587854085 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587854087 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587854093 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587854095 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587854097 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3ccc(Cl)cn3)s2)N1 ZINC000587854099 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854101 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854106 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854110 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854113 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(Br)cccc3s2)N1 ZINC000587854116 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(Br)cccc3s2)N1 ZINC000587854118 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(Br)cccc3s2)N1 ZINC000587854120 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(Br)cccc3s2)N1 ZINC000587854123 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 ZINC000587854131 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854139 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854150 JK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854151 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854152 JK Annotated Mild COC1=Cc2ccccc2[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccsc21 ZINC000587854157 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587854161 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587854162 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587854163 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)c2nc(-c3ccccc3)cs2)N1 ZINC000587854164 JK Annotated Reactive COC1=Cc2ccccc2[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccsc21 ZINC000587854166 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccsc21 ZINC000587854170 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccsc21 ZINC000587854172 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587854201 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587854202 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587854203 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587854205 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854229 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854230 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854231 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854233 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854246 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854248 JK Annotated Mild Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587854251 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854252 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854253 JK Annotated Mild Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587854254 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587854257 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587854260 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCOc1ccc(Cl)cc1C ZINC000587854262 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccs1 ZINC000587854272 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccs1 ZINC000587854275 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccs1 ZINC000587854277 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccs1 ZINC000587854279 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587854286 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587854295 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587854298 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587854300 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587854301 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587854302 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]c2ccccc2c1Br ZINC000587854307 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587854309 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587854311 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587854320 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587854321 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587854322 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2nccc(-c3cccs3)n2)N1 ZINC000587854323 JK Annotated Anodyne CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854324 JK Annotated Mild CSc1sc(C#N)c2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854325 JK Annotated Mild CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854326 JK Annotated Mild CSc1sc(C#N)c2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854329 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587854343 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587854349 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587854350 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587854352 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587854380 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587854383 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587854386 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587854388 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccs1 ZINC000587854396 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccs1 ZINC000587854398 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccs1 ZINC000587854399 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccs1 ZINC000587854400 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1csc(C)n1 ZINC000587854401 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1csc(C)n1 ZINC000587854402 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1csc(C)n1 ZINC000587854403 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1csc(C)n1 ZINC000587854404 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854413 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854414 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854416 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854417 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000587854421 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000587854422 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587854433 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587854434 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587854435 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587854436 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000587854440 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000587854448 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854474 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000587854475 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587854476 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587854477 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854478 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587854485 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587854486 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587854487 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587854488 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587854510 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587854512 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587854515 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587854516 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587854517 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000587854528 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587854546 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587854547 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587854548 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587854549 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587854550 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587854551 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587854552 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587854554 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587854564 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587854567 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587854569 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(Br)cc3)s2)N1 ZINC000587854571 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000587854581 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587854601 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587854606 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)N1 ZINC000587854624 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)N1 ZINC000587854627 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587854684 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C(F)(F)F)cc1C ZINC000587854689 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587854702 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587854703 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587854705 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587854706 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000587854709 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000587854713 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(=O)Nc1cccc(Cl)c1C ZINC000587854722 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854730 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854731 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854732 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854733 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854736 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854737 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854738 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854739 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854741 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854742 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854743 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)N1 ZINC000587854744 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587854766 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587854767 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587854768 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587854769 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587854771 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587854774 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587854776 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2c(N)sc3c2CCCC3)N1 ZINC000587854778 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc(Br)c(C)n1 ZINC000587854779 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854781 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854791 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)N1 ZINC000587854793 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)N1 ZINC000587854794 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854795 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587854798 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1cccc(C)c1C ZINC000587854799 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)c1cccc(C)c1C ZINC000587854800 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854801 JK Annotated Anodyne CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1cccc(C)c1C ZINC000587854802 JK Annotated Anodyne CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)c1cccc(C)c1C ZINC000587854803 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854804 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854805 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854806 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854808 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854809 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854811 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C)c(Br)c1C ZINC000587854812 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854814 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587854817 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)N1 ZINC000587854820 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587854833 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587854839 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587854843 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587854846 JK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587854877 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587854884 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587854886 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587854887 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587854889 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccs1 ZINC000587854891 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587854892 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587854895 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2c(C)c(Br)ccc2n1 ZINC000587854918 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854925 JK Annotated Clean Cc1cnc(SC[C@@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854928 JK Annotated Clean Cc1cnc(SC[C@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854929 JK Annotated Clean Cc1cnc(SC[C@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854932 JK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587854948 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587854951 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587854955 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587854959 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587854963 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587854966 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587854968 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587854969 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Sc3ccccc3)nc2Cl)N1 ZINC000587854970 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587854972 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587854975 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587854977 JK Annotated Reactive COc1cccc(N(C(C)=O)c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587854978 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587854979 JK Annotated Reactive COc1cccc(N(C(C)=O)c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587854980 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587854982 JK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587855013 JK Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587855016 JK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587855018 JK Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587855020 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855021 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855023 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855026 JK Annotated Anodyne COc1ccc(-c2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855030 JK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 ZINC000587855055 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 ZINC000587855056 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 ZINC000587855057 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 ZINC000587855058 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587855080 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587855081 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587855082 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=O)n(-c3ccccc3)c2Cl)N1 ZINC000587855083 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 ZINC000587855089 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000587855100 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587855101 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000587855121 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2nc3ccccc3s2)N1 ZINC000587855123 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2nc3ccccc3s2)N1 ZINC000587855124 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2nc3ccccc3s2)N1 ZINC000587855125 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2nc3ccccc3s2)N1 ZINC000587855126 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000587855134 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(N)sc1-c1cccc(F)c1 ZINC000587855140 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000587855142 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587855145 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587855149 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587855150 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000587855154 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587855160 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000587855167 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000587855170 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Cl ZINC000587855171 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000587855172 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cccc(Cl)c2)n1 ZINC000587855182 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000587855185 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000587855193 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(F)c(Br)c1 ZINC000587855199 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000587855200 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000587855205 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnn1COc1ccc(Cl)cc1 ZINC000587855207 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1-c1nc(-c2cccc(F)c2)no1 ZINC000587855215 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Cl)cc1Cl ZINC000587855231 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 ZINC000587855232 JK Annotated Reactive C[C@H](Cl)[C@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855233 JK Annotated Reactive C[C@H](Cl)[C@@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855234 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 ZINC000587855235 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000587855239 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855248 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855249 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855253 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855256 JK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)Sc2ccc(OC)cc21 ZINC000587855271 JK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)Sc2ccc(OC)cc21 ZINC000587855274 JK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)Sc2ccc(OC)cc21 ZINC000587855276 JK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)Sc2ccc(OC)cc21 ZINC000587855277 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Br)cc2n[nH]cc12 ZINC000587855286 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587855295 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587855298 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587855301 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587855303 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587855310 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587855312 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587855313 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 ZINC000587855314 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855316 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855319 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855321 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855323 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3sccc3c2)N1 ZINC000587855330 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587855331 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587855332 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587855333 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587855334 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3sccc3c2)N1 ZINC000587855336 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3sccc3c2)N1 ZINC000587855337 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3sccc3c2)N1 ZINC000587855339 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587855381 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587855383 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587855386 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Cl)N1 ZINC000587855388 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)c(Cl)o1 ZINC000587855391 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587855428 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587855432 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587855433 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587855434 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587855435 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587855436 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587855437 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587855440 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)N1 ZINC000587855445 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)N1 ZINC000587855447 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587855451 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H](c3ccccc3)S[C@@H](c3ccccc3)C2)N1 ZINC000587855452 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](c3ccccc3)S[C@H](c3ccccc3)C2)N1 ZINC000587855454 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587855461 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587855464 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587855471 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587855477 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587855482 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587855484 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc4sccc4c3)o2)N1 ZINC000587855485 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855502 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855508 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855511 JK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855512 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C)c(Br)c1 ZINC000587855513 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 ZINC000587855519 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 ZINC000587855521 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 ZINC000587855523 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1cccs1 ZINC000587855525 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnn1COc1ccccc1Cl ZINC000587855532 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855533 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855541 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855545 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855547 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855553 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855556 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855559 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587855562 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587855598 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587855611 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587855612 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587855613 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587855614 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587855615 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000587855620 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587855622 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(Cl)ccc2nc1Cl ZINC000587855627 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587855630 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000587855631 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000587855632 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587855633 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000587855634 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000587855636 JK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1=C(C)N[C@@H]2C=CC(Cl)=CN12 ZINC000587855637 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1=C(C)N[C@H]2C=CC(Cl)=CN12 ZINC000587855638 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccccc1C(F)(F)F ZINC000587855640 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587855641 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C(F)(F)F)nc2ccccc12 ZINC000587855643 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cccc(OC)c2)cc(C(F)F)n1 ZINC000587855644 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000587855645 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(F)cc2)n1 ZINC000587855660 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000587855661 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(F)cc(Br)c1 ZINC000587855663 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587855667 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000587855668 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000587855670 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587855672 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(F)ccc1Br ZINC000587855673 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 ZINC000587855675 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587855679 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587855681 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587855682 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587855683 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccsc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587855684 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000587855685 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccsc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587855686 JK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccsc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587855687 JK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccsc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587855688 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587855713 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 ZINC000587855714 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587855715 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587855717 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587855718 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 ZINC000587855725 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587855730 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587855731 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587855732 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000587855733 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000587855734 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587855744 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587855751 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587855769 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1 ZINC000587855770 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587855774 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C(F)(F)F)cccc2s1 ZINC000587855776 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855781 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855784 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855789 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855792 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000587855801 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855809 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855812 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587855815 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855816 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587855819 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3cnc(Cl)s3)c2)N1 ZINC000587855820 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587855823 JK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587855827 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587855828 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587855830 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587855831 JK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587855832 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587855843 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587855853 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587855855 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587855858 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855875 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855878 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855880 JK Annotated Anodyne Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587855882 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 ZINC000587855893 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 ZINC000587855894 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 ZINC000587855896 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 ZINC000587855898 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(Br)cc(C)c2n1 ZINC000587855899 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587855901 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587855902 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587855903 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587855904 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587855905 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000587855906 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3cc(Cl)ccc3SC2)N1 ZINC000587855908 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587855909 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587855910 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587855911 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587855914 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587855916 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587855918 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587855920 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587855921 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000587855927 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000587855941 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000587855943 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587855969 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587855970 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587855972 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(Br)ccc2n1 ZINC000587855973 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Oc3ccccc3)nc2Cl)N1 ZINC000587855974 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587855976 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587855978 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587855980 JK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587855982 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(Br)cn2ccnc12 ZINC000587855983 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587855993 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587855997 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587856000 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587856001 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587856003 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587856004 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2s1 ZINC000587856005 JK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587856006 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587856007 JK Annotated Reactive Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587856008 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587856009 JK Annotated Reactive Cc1nc2ccc(NC(=O)C[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2s1 ZINC000587856010 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587856012 JK Annotated Reactive Cc1nc2ccc(NC(=O)C[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2s1 ZINC000587856013 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3S2)N1 ZINC000587856014 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000587856015 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000587856016 JK Annotated Anodyne C[C@H](Cl)[C@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856017 JK Annotated Reactive C[C@H](Cl)[C@@]1(/C(C#N)=C2\Nc3ccccc3S2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856018 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 ZINC000587856019 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C2\Nc3ccccc3S2)([C@@H](C)Cl)N1 ZINC000587856020 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Br)cc1 ZINC000587856021 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-n2cncn2)cc1Cl ZINC000587856023 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2s1 ZINC000587856025 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587856037 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587856039 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587856041 JK Annotated Bother CCc1cc(CC)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587856043 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587856044 JK Annotated Bother CCc1cc(CC)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587856053 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587856058 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587856061 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587856092 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587856093 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587856094 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc(Br)c3)n2)N1 ZINC000587856095 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cccs1)CC/C2=C\c1cccs1 ZINC000587856096 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1cccs1)CC/C2=C\c1cccs1 ZINC000587856097 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1cccs1)CC/C2=C\c1cccs1 ZINC000587856098 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cccs1)CC/C2=C\c1cccs1 ZINC000587856099 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856100 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856101 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856102 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856103 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856116 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856117 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(C(F)(F)F)ccc2n1 ZINC000587856153 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1cccc(C(F)(F)F)c1 ZINC000587856161 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccccc2F)n1 ZINC000587856163 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000587856218 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587856230 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587856232 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587856234 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)N1 ZINC000587856236 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(OC(F)(F)F)cc1 ZINC000587856237 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000587856250 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587856264 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587856265 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587856266 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)sc3ccc(Cl)cc23)N1 ZINC000587856267 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000587856285 JK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000587856308 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(Br)cc1Cl ZINC000587856357 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000587856359 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C)c(Br)c1C ZINC000587856365 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc(OC)c(F)c2)n1 ZINC000587856369 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cl)c(Br)c1 ZINC000587856370 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587856375 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587856377 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587856380 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587856382 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000587856390 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)c(Cl)cc1C(C)C ZINC000587856398 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2s1 ZINC000587856409 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2s1 ZINC000587856410 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2s1 ZINC000587856412 JK Annotated Anodyne Cc1nc2ccc(NC(=O)C[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2s1 ZINC000587856414 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000587856415 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ncc(C(F)(F)F)cc1Cl ZINC000587856416 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587856417 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587856418 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856419 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587856420 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)N1 ZINC000587856421 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856423 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856424 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856426 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000587856431 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)c2cccnc12 ZINC000587856435 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587856439 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587856441 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587856443 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587856446 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587856449 JK Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)ccc1OC(F)F ZINC000587856451 JK Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587856461 JK Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587856465 JK Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587856469 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000587856471 JK Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587856472 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856473 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856476 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856481 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587856483 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4ccccc4c3)nc3sccn23)N1 ZINC000587856485 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000587856495 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000587856510 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856513 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856515 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856518 JK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856520 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000587856526 JK Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856547 JK Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856550 JK Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856552 JK Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856554 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Br)c(C)c1 ZINC000587856575 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587856587 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587856589 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587856591 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587856593 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587856600 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587856604 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(Br)cc2[nH]1 ZINC000587856605 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587856606 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587856607 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587856608 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587856609 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(Cl)ccc1Cl ZINC000587856610 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856618 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856619 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856624 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856625 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856626 JK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856627 JK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 ZINC000587856648 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 ZINC000587856649 JK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 ZINC000587856650 JK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccs1 ZINC000587856651 JK Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587856664 JK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587856665 JK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587856666 JK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccs1 ZINC000587856667 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587856672 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587856673 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587856674 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nc(C(C)(C)C)cs3)cc2)N1 ZINC000587856675 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856688 JK Annotated Anodyne CC(C)Cc1ccc([C@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856689 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856690 JK Annotated Anodyne CC(C)Cc1ccc([C@@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856691 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587856692 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587856693 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587856694 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Nc3ccccc3)nc2Cl)N1 ZINC000587856695 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587856704 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3=C2[C@@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587856705 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587856706 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3=C2[C@H](c2cccs2)C(C#N)=C(N)O3)N1 ZINC000587856707 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 ZINC000587856719 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 ZINC000587856739 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000587856770 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000587856779 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587856784 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587856786 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587856787 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cnc(Cl)s2)N1 ZINC000587856788 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856797 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856798 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856799 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587856800 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587856841 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587856842 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3sccc3c2)N1 ZINC000587856847 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3sccc3c2)N1 ZINC000587856848 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3sccc3c2)N1 ZINC000587856849 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3sccc3c2)N1 ZINC000587856850 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc(Br)c(C)n1 ZINC000587856884 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc(Br)c(C)n1 ZINC000587856894 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000587856910 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587856917 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587856924 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000587856973 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000587856978 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000587856983 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1nc(C)c(Cl)c1C ZINC000587856988 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)n1nc(C)c(Cl)c1C ZINC000587857004 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000587857028 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc(Cl)c2)o1 ZINC000587857051 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000587857059 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857068 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857073 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857077 JK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587857084 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000587857099 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(F)cc2)cc1 ZINC000587857105 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587857121 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587857123 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587857126 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(COc3ccc(Cl)cc3)n2)N1 ZINC000587857128 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587857133 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587857136 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587857138 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587857141 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=C(c3ccccc3)SC(c3ccccc3)=C2)N1 ZINC000587857146 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857150 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857152 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 ZINC000587857153 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=C(c3ccccc3)SC(c3ccccc3)=C2)N1 ZINC000587857154 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857155 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/NC(c3cccs3)=CS2)N1 ZINC000587857157 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3c(Br)cccc23)N1 ZINC000587857159 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857160 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 ZINC000587857161 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3c(Br)cccc23)N1 ZINC000587857162 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857163 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\NC(c3cccs3)=CS2)N1 ZINC000587857164 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3c(Br)cccc23)N1 ZINC000587857165 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857166 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3c(Br)cccc23)N1 ZINC000587857168 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857170 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857173 JK Annotated Anodyne Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 ZINC000587857180 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 ZINC000587857181 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 ZINC000587857182 JK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)n1 ZINC000587857183 JK Annotated Reactive COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2sc3ccccc3n12 ZINC000587857204 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2sc3ccccc3n12 ZINC000587857209 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2sc3ccccc3n12 ZINC000587857210 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2sc3ccccc3n12 ZINC000587857211 JK Annotated Anodyne Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587857248 JK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587857249 JK Annotated Clean Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587857250 JK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587857251 JK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587857283 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587857285 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587857286 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cnc(Cl)s3)cc2)N1 ZINC000587857287 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1N ZINC000587857331 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1N ZINC000587857332 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1N ZINC000587857333 JK Annotated Anodyne CCOC(=O)c1sc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1N ZINC000587857334 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857445 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857446 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857447 JK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857449 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857451 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857453 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857455 JK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857457 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3ccc(Br)cc32)N1 ZINC000587857459 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587857460 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587857462 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587857463 JK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587857464 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3ccc(Br)cc32)N1 ZINC000587857465 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3ccc(Br)cc32)N1 ZINC000587857467 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(N)ccc1S2 ZINC000587857468 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3ccc(Br)cc32)N1 ZINC000587857469 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(N)ccc1S2 ZINC000587857470 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(N)ccc1S2 ZINC000587857473 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(N)ccc1S2 ZINC000587857476 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2nc3ccccc3s2)N1 ZINC000587857477 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587857478 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2nc3ccccc3s2)N1 ZINC000587857479 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2nc3ccccc3s2)N1 ZINC000587857480 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2nc3ccccc3s2)N1 ZINC000587857482 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587857489 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587857491 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587857493 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 ZINC000587857495 JK Annotated Bother Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(N)ccc1S2 ZINC000587857508 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(N)ccc1S2 ZINC000587857510 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(N)ccc1S2 ZINC000587857512 JK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(N)ccc1S2 ZINC000587857515 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587857521 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587857522 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587857523 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587857525 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587857532 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587857533 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587857534 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCOC3)N1 ZINC000587857536 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587857554 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587857557 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587857559 JK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587857560 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857571 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(=O)Nc1ccccc1Cl ZINC000587857576 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 ZINC000587857577 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 ZINC000587857578 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3cc(Cl)ccc3S2)N1 ZINC000587857579 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Nc3cc(Cl)ccc3S2)N1 ZINC000587857580 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857583 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857585 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857587 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587857601 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587857602 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587857604 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587857606 JK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857615 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857616 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857619 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587857622 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587857623 JK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587857624 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 ZINC000587857625 JK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857641 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587857652 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587857655 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587857656 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587857657 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CSC3=NCCS3)c2)N1 ZINC000587857658 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1ncc(Br)c1C ZINC000587857663 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(CC)cc1Br ZINC000587857672 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587857673 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587857674 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587857675 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587857681 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587857683 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587857685 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587857687 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587857691 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587857692 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587857693 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCSC3)N1 ZINC000587857694 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857704 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857705 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857706 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)N1 ZINC000587857707 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2csc3ccccc23)N1 ZINC000587857716 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2csc3ccccc23)N1 ZINC000587857717 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2csc3ccccc23)N1 ZINC000587857718 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2csc3ccccc23)N1 ZINC000587857719 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)N1 ZINC000587857737 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)N1 ZINC000587857739 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)N1 ZINC000587857741 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)N1 ZINC000587857743 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587857763 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587857764 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587857765 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587857768 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)S1 ZINC000587857770 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)S1 ZINC000587857772 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)S1 ZINC000587857773 JK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)S1 ZINC000587857775 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000587857776 JK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587857787 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587857789 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587857790 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587857792 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C)c(Br)c1C ZINC000587857798 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587857802 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587857803 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587857804 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Sc3nc4ccccc4s3)CCCC2)N1 ZINC000587857805 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C)c(Br)c1C ZINC000587857808 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC)c(Br)c1 ZINC000587857809 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000587857811 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000587857813 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857824 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857825 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857826 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)N1 ZINC000587857827 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1Br ZINC000587857828 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587857829 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587857830 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587857831 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3sccn23)N1 ZINC000587857832 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(Cl)c1Cl ZINC000587857833 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857834 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857835 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCNC(=O)OC(C)(C)C ZINC000587857838 JK Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc(OCC)c1OCC ZINC000587857875 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587857876 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000587857878 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000587857884 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857891 JK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857894 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2sc3ccccc3n12 ZINC000587857896 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2sc3ccccc3n12 ZINC000587857898 JK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2sc3ccccc3n12 ZINC000587857900 JK Annotated Anodyne COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2sc3ccccc3n12 ZINC000587857903 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1cc(Br)cn1 ZINC000587857907 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)n1cc(Br)cn1 ZINC000587857908 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000587857916 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000587857929 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000587857931 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857945 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857947 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857949 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc4nsnc4c3)cc2)N1 ZINC000587857951 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857973 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000587857980 JK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1SC[C@@H]2C ZINC000587857982 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857984 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1SC[C@@H]2C ZINC000587857985 JK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)o2)cc1 ZINC000587858000 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587858013 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587858015 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587858018 JK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587858021 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Br)cccc1Br ZINC000587858025 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858056 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858059 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858061 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858063 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587858064 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587858065 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587858066 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc3ccccc3s2)(C2CC2)N1 ZINC000587858067 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587858085 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587858088 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587858089 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3sc4ccccc4n23)N1 ZINC000587858090 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587858095 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587858096 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587858097 JK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Sc3ccccc3N2C)N1 ZINC000587858098 JK Annotated Reactive CCN1/C(=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)Sc2ccc(OC)cc21 ZINC000587858100 JK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)Sc2ccc(OC)cc21 ZINC000587858102 JK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)Sc2ccc(OC)cc21 ZINC000587858105 JK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)Sc2ccc(OC)cc21 ZINC000587858106 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000587858112 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000587858127 JK Annotated Anodyne CCOC(=O)c1ccc(OCC(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 ZINC000587858129 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000587858147 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000587858148 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587858152 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587858158 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000587858160 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858176 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1SC[C@@H]2C ZINC000587858177 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587858178 JK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858179 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587858180 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587858181 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1SC[C@@H]2C ZINC000587858182 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(C(C)(C)C)cc3)nc3sccn23)N1 ZINC000587858183 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587858185 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587858188 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587858190 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=Nc4ccc(N(C)C)cc4SC3=C2)N1 ZINC000587858192 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587858196 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587858198 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587858201 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Sc1ccc(Cl)cc12 ZINC000587858204 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc(Br)cn1 ZINC000587858207 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc(Br)cn1 ZINC000587858209 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587858219 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587858221 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587858224 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587858226 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587858228 JK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(Br)c(C)cc2n1 ZINC000587858229 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587858230 JK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587858232 JK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000587858234 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587858235 JK Annotated Mild Cc1ccc2nc(-n3cccc3[C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)sc2c1 ZINC000587858243 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)sc2c1 ZINC000587858246 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2c1 ZINC000587858248 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2c1 ZINC000587858250 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587858272 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587858273 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587858274 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nnsc3Cl)cc2)N1 ZINC000587858275 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C2CCCCC2)cc1 ZINC000587858310 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(c1ccccc1)c1ccccc1 ZINC000587858334 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(I)cc1 ZINC000587858340 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCCCCCCC(=O)NN ZINC000587858349 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000587858351 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc2cc(OC)ccc2c1 ZINC000587858372 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(CC)cc2)cc1 ZINC000587858388 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)nc2ccccc12 ZINC000587858394 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000587858395 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858432 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858433 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858434 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858435 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2csc3ccccc23)N1 ZINC000587858460 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2csc3ccccc23)N1 ZINC000587858461 JK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2csc3ccccc23)N1 ZINC000587858462 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2csc3ccccc23)N1 ZINC000587858463 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H](c3ccccc3)S[C@@H](c3ccccc3)C2)N1 ZINC000587858476 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)N1 ZINC000587858477 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)N1 ZINC000587858478 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](c3ccccc3)S[C@H](c3ccccc3)C2)N1 ZINC000587858479 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587858480 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587858481 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587858482 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587858483 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587858496 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587858497 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587858498 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587858499 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587858500 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587858501 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2ccccc12 ZINC000587858542 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)nc2onc(C)c12 ZINC000587858549 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587858558 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(Br)sc32)N1 ZINC000587858559 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnc(NC(=O)C(C)(C)C)c1 ZINC000587858560 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858596 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858597 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858598 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CCC3)N1 ZINC000587858599 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)(C)CC)cc1 ZINC000587858606 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(C)c(C)c2)o1 ZINC000587858607 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587858611 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587858612 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587858613 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587858614 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587858628 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587858629 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587858631 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587858632 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000587858651 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000587858654 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000587858655 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000587858689 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587858696 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587858697 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000587858706 JK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c1 ZINC000587858725 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587858773 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587858774 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587858775 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587858776 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587858793 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587858794 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587858796 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587858797 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587858802 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587858803 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587858805 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3cc(Br)ccc3s2)N1 ZINC000587858806 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(OC)cc2)o1 ZINC000587858822 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587858839 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587858841 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587858842 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Nc3nc4ccccc4s3)cc2)N1 ZINC000587858843 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587858845 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587858846 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587858851 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 ZINC000587858853 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2csc3ccccc23)N1 ZINC000587858855 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 ZINC000587858861 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000587858865 JK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587858867 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN(CC2CCCCC2)C1 ZINC000587858881 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000587858882 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN(CC2CCCCC2)C1 ZINC000587858883 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 ZINC000587858884 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccncc2)nc2ccccc12 ZINC000587858892 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000587858894 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587858895 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587858896 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(C)c(C)c2)cc1 ZINC000587858897 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000587858907 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000587858913 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000587858928 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(ccc3ccccc32)o1 ZINC000587858938 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2onc(C)c12 ZINC000587858943 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCCCCC(=O)NN ZINC000587858947 JK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587858967 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587858968 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587858969 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587858970 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc(C)c2C)o1 ZINC000587858971 JK Annotated Anodyne C=C1C=C(n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)n2ncc(-c3ccccc3)c2N1 ZINC000587858972 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000587859003 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000587859015 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859019 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859023 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859025 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859026 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3ccc(Br)cc32)N1 ZINC000587859046 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3ccc(Br)cc32)N1 ZINC000587859048 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3ccc(Br)cc32)N1 ZINC000587859049 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3ccc(Br)cc32)N1 ZINC000587859050 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587859081 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587859083 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587859085 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587859087 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587859099 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587859100 JK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587859105 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587859106 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587859107 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=O)n(Cc3ccccc3)c2Cl)N1 ZINC000587859108 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587859114 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587859115 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587859116 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3s2)(c2ccccc2)N1 ZINC000587859117 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 ZINC000587859147 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc(C)c2)o1 ZINC000587859148 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(Cl)ccc1Cl ZINC000587859151 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000587859162 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccccc2OC)[nH]n1 ZINC000587859165 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000587859174 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C ZINC000587859182 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000587859260 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587859277 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(C(C)C)cc2)n1 ZINC000587859331 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccccc2)o1 ZINC000587859342 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000587859371 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587859374 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000587859381 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000587859386 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000587859415 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000587859456 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000587859459 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3c(Br)cccc23)N1 ZINC000587859475 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3c(Br)cccc23)N1 ZINC000587859476 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3c(Br)cccc23)N1 ZINC000587859477 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3c(Br)cccc23)N1 ZINC000587859478 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 ZINC000587859490 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587859498 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587859499 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(CC)cc2)o1 ZINC000587859510 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cc(C)ccc2C)o1 ZINC000587859520 JK Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1OCC ZINC000587859523 JK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c(OC)c1 ZINC000587859525 JK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c(OC)c1 ZINC000587859526 JK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc(OC)c2)o1 ZINC000587859531 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000587859535 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(=O)Nc1ccc(C)cc1C ZINC000587859536 JK Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 ZINC000587859540 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000587859541 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000587859542 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(I)cc1 ZINC000587859545 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccccc2C)n1 ZINC000587859568 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccsc21 ZINC000587859616 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccsc21 ZINC000587859617 JK Annotated Anodyne COC1=Cc2ccccc2[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccsc21 ZINC000587859619 JK Annotated Anodyne COC1=Cc2ccccc2[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccsc21 ZINC000587859620 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859622 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859623 JK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859624 JK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859625 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)cc2C)o1 ZINC000587859628 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587859633 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000587859635 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587859636 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587859638 JK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587859639 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859674 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859678 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859679 JK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859680 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587859689 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587859690 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587859691 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccc(Br)cc3s2)N1 ZINC000587859692 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859693 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859694 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859695 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859696 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)c(S(C)(=O)=O)cc1Cl ZINC000587859744 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C(C)C)c(=O)c2ccccc12 ZINC000587859749 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000587859753 JK Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c2ccccc2c1=O ZINC000587859769 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cc(OC)ccc2OC)[nH]n1 ZINC000587859787 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCCN(C)c1ccccc1 ZINC000587859798 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000587859801 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000587859819 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587859822 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587859823 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2c1c(C)nn2CC ZINC000587859851 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(Cl)cc1Cl ZINC000587859859 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859875 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859876 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859877 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)c2nc3ccccc3s2)N1 ZINC000587859878 JK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587859883 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587859884 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587859885 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(-c4ccccc4)nn(C)c3s2)N1 ZINC000587859886 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587859907 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587859908 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587859909 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587859910 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=C(c3ccccc3)SC(c3ccccc3)=C2)N1 ZINC000587859947 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=C(c3ccccc3)SC(c3ccccc3)=C2)N1 ZINC000587859948 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859961 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859962 JK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859963 JK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000587859964 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nc2ccccc2n1C ZINC000587859969 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1S(=O)(=O)NC(C)(C)C ZINC000587859973 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)NC1=CCCN1C2=O ZINC000587859991 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587860007 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)sc2c1 ZINC000587860031 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)sc2c1 ZINC000587860033 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2c1 ZINC000587860035 JK Annotated Anodyne Cc1ccc2nc(-n3cccc3[C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2c1 ZINC000587860036 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587860043 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587860044 JK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587860045 JK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587860046 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587860081 JK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587860082 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587860083 JK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(Br)cc3s2)N1 ZINC000587860084 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC000587860091 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000587860139 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 ZINC000587860148 JK Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c2ccccc2c1=O ZINC000587860153 JK Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)n[nH]2)cc1 ZINC000587860172 JK Annotated Anodyne CCOCCCn1c(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)nc2ccccc2c1=O ZINC000587860175 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC(c1ccccc1)c1ccccc1 ZINC000587860191 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000587860218 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)OC(C)(C)c1cc(OC)cc(OC)c1 ZINC000587860243 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cn(CC)nc2C)on1 ZINC000587860248 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2c1[nH]c1cc(OC)c(OC)cc12 ZINC000587860260 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000587860269 JK Annotated Bother CCOC(=O)c1ccc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c([N+](=O)[O-])c1 ZINC000587860270 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccccc2)n1 ZINC000587860272 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1[C@](C)(Cc1ccc(O)c(OC)c1)C(=O)O ZINC000587860273 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1[C@@](C)(Cc1ccc(O)c(OC)c1)C(=O)O ZINC000587860274 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(C)(=O)=O)cc1Br ZINC000587860294 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C ZINC000587860314 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000587860321 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000587860324 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000587860325 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000587860327 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587860333 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000587860357 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000587860372 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000587860393 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000587860395 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000587860405 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000587860406 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1cc(Cl)ccc1Cl ZINC000587860423 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587860427 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587860428 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CSc2nncn2C)cc1 ZINC000587860435 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1cccc2cccnc12 ZINC000587860442 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(OC)c(OC)c(OC)c1 ZINC000587860449 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000587860456 JK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc2c(n1)-c1ccc(OC)cc1CC2 ZINC000587860469 JK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)cc(C)nc21 ZINC000587860476 JK Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c2ccccc2c1=O ZINC000587860494 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000587860509 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(OC)cc2)n1 ZINC000587860510 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587860513 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)c(Cc2ccccc2)c(O)n1 ZINC000587860514 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2nc1Cc1ccccc1 ZINC000587860526 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587860534 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587860535 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(Br)c1 ZINC000587860541 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1c(Cl)cccc1Cl ZINC000587860552 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000587860557 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587860574 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587860575 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc3ccccc3c2)n1 ZINC000587860578 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000587860591 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cc(C)ccc2C)n1 ZINC000587860598 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2c1cnn2-c1ccccc1 ZINC000587860615 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587860623 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587860624 JK Annotated Bother CCOc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1OC(F)F ZINC000587860635 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587860639 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587860646 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587860652 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc(Cl)c2)o1 ZINC000587860669 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587860675 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000587860677 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 ZINC000587860681 JK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587860684 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587860686 JK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cnn1-c1ccc(Cl)cc1 ZINC000587860702 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587860709 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000587860712 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cccc(Cl)c2)n1 ZINC000587860717 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587860726 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)cc1Br ZINC000587860729 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Br)ccc1Br ZINC000587860744 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(C)c1-c1ccccc1 ZINC000587860752 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587860757 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnn1COc1ccccc1Cl ZINC000587860759 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000587860772 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Br)c2ccccc12 ZINC000587860776 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(Br)cc2s1 ZINC000587860782 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000587860787 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000587860810 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000587860815 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000587860818 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000587860823 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587860829 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587860830 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000587860833 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000587860836 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000587860839 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587860845 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(OC(F)(F)C(F)F)c1 ZINC000587860847 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000587860853 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587860860 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 ZINC000587860865 JK Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cn1 ZINC000587860868 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587860882 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587860883 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000587860885 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000587860890 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000587860900 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCOc1ccc(Cl)cc1C ZINC000587860904 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000587860906 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587860924 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2cccc(Cl)c2)c1 ZINC000587860925 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000587860930 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000587860937 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccs2)nc2onc(C)c12 ZINC000587860946 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2c(C)cccc2Cl)o1 ZINC000587860949 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000587860950 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000587860951 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000587860957 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000587860958 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C(C)C)cc1Br ZINC000587860961 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000587860967 JK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2ccccc2c1-n1cccc1 ZINC000587860972 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000587860977 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000587860978 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000587860979 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc(C)ccc2c1Cl ZINC000587860986 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(OC)ccc(Cl)c2s1 ZINC000587860989 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(C)c1-c1ccc(C)cc1 ZINC000587860995 JK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc(C)c(Br)c1C ZINC000587861003 JK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc(C)c(Br)c1C ZINC000587861004 JK Annotated Anodyne CCc1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c(Br)c1 ZINC000587861008 JK Annotated Anodyne COc1cccc(-c2cc(C(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c1 ZINC000587861023 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587861027 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000587861038 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1-c1nc(-c2cccc(F)c2)no1 ZINC000587861040 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc(F)cc2F)c1 ZINC000587861046 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000587861052 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-c2ccc(OC)cc2)s1 ZINC000587861054 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000587861059 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000587861061 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587861074 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 ZINC000587861077 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Cl)cc2C)o1 ZINC000587861086 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587861092 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587861093 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000587861101 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000587861102 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000587861135 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(-c2ccccc2)nc1C ZINC000587861136 JK Annotated Anodyne COc1ccc(Br)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587861138 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Br)cc1Cl ZINC000587861139 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2scc(-c3ccc(OC)cc3)c12 ZINC000587861140 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000587861141 JK Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1Br ZINC000587861146 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000587861162 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 ZINC000587861165 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2scc(-c3ccc(C)cc3)c12 ZINC000587861167 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)c(Br)c1 ZINC000587861174 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccs2)nc2ccccc12 ZINC000587861177 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587861180 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587861181 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C=C1\NC(=O)c2c(sc(C)c2C)N1 ZINC000587861187 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C=C1/NC(=O)c2c(sc(C)c2C)N1 ZINC000587861188 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1cccc(Cl)c1C ZINC000587861190 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(Cl)cccc2s1 ZINC000587861197 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2ccc(Br)cc12 ZINC000587861201 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000587861208 JK Annotated Anodyne COc1ccc(Br)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1C ZINC000587861210 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)nc2sc(-c3ccccc3)cc12 ZINC000587861212 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)c(Br)cc1Br ZINC000587861213 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2c(C)nc3ccccn23)cs1 ZINC000587861215 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(-c2cccs2)n1 ZINC000587861217 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cc(C)ccc2Cl)n1 ZINC000587861222 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000587861226 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 ZINC000587861231 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000587861234 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000587861237 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000587861246 JK Annotated Anodyne CCn1ncc(-c2cc(C(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c1C ZINC000587861251 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000587861254 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587861260 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc(Cl)c2)cc1 ZINC000587861265 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccnc1SCCC(F)=C(F)F ZINC000587861268 JK Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c(C)n1 ZINC000587861269 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 ZINC000587861273 JK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c1 ZINC000587861291 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587861301 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000587861302 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000587861316 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000587861339 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2ccc(Cl)cc2s1 ZINC000587861397 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(OC(C)C)cc1 ZINC000587861403 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000587861415 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(Br)c(C)c1 ZINC000587861429 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(Br)cccc2s1 ZINC000587861430 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(CC)nc2sc3c(c12)CCC3 ZINC000587861440 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(-c2ccccc2)cc1N ZINC000587861478 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(-c2ccc(OC)cc2)cc1N ZINC000587861481 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)o1 ZINC000587861483 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Nc1nc2ccccc2s1 ZINC000587861486 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Nc1nc2ccccc2s1 ZINC000587861487 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2sc(-c3ccccc3)cc12 ZINC000587861493 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000587861497 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000587861498 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000587861499 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1nc(-c2ccccc2)cs1 ZINC000587861500 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000587861506 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000587861521 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(Br)cc1Cl ZINC000587861527 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]c2ccccc2c1Br ZINC000587861528 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C ZINC000587861530 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587861534 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587861535 JK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1 ZINC000587861538 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000587861539 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 ZINC000587861543 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587861548 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000587861558 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnn1COc1ccc(Cl)cc1 ZINC000587861562 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000587861579 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000587861587 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587861594 JK Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc(OCC)c1OCC ZINC000587861597 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Cl)cc2C)n1 ZINC000587861613 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc(C)cc2C)c1 ZINC000587861623 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587861644 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587861646 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587861649 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587861653 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCCNC(=O)OC(C)(C)C ZINC000587861654 JK Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)c(=O)oc2c1 ZINC000587861669 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000587861684 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccco2)nc2ccccc12 ZINC000587861685 JK Annotated Anodyne CCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)o2)cc1 ZINC000587861686 JK Annotated Anodyne CCn1ncc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c1C ZINC000587861699 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(Cl)ccc(Cl)c2s1 ZINC000587861700 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Br)cccc1Br ZINC000587861706 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000587861708 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000587861712 JK Annotated Anodyne COc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)o2)cc1 ZINC000587861737 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(-c2ccc(CC)cc2)n1 ZINC000587861738 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000587861747 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587861753 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587861755 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)nc2sc3c(c12)CCCC3 ZINC000587861766 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587861769 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)c(CC)s1 ZINC000587861770 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc(CC)ccc2c1Cl ZINC000587861785 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2cc(Br)ccc2s1 ZINC000587861791 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(-c2ccc(Cl)cc2)cc1N ZINC000587861819 JK Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC ZINC000587861846 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C)c(C)c2)cc1 ZINC000587861853 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000587861864 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000587861878 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000587861880 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000587861886 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587861900 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000587861922 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sccc1-c1ccc(C)cc1 ZINC000587861932 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587861933 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587861937 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587861938 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000587861943 JK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)o1 ZINC000587861944 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587861971 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sccc1OCc1ccc(F)cc1 ZINC000587861972 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000587861973 JK Annotated Clean COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(F)c(Cl)c2)n1 ZINC000587861987 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587861992 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(OC(F)(F)F)cc1 ZINC000587862003 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C)c(Br)c1C ZINC000587862012 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C)c(Br)c1C ZINC000587862013 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1ccccc1Cl ZINC000587862016 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000587862024 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000587862029 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)cc(Br)cc1Cl ZINC000587862033 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2sc(C)nc2C)cs1 ZINC000587862038 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1nc(C)c(Br)c1C ZINC000587862044 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1nc(C)c(Br)c1C ZINC000587862045 JK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2ccccc2c1Cl ZINC000587862050 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000587862056 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)c(Br)o1 ZINC000587862060 JK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)o2)cc1 ZINC000587862120 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C(C)C)cc2)cc1 ZINC000587862135 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc(C)c2C)o1 ZINC000587862166 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000587862167 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587862176 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587862177 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000587862195 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000587862217 JK Annotated Anodyne COc1ccccc1OCc1cccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587862223 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)ccc2C)o1 ZINC000587862242 JK Annotated Anodyne COc1ccc2cc(OCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)ccc2c1 ZINC000587862316 JK Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1OCCC(C)C ZINC000587862317 JK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)o2)cc1 ZINC000587862325 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587862328 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000587862331 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C)cc2C)cc1 ZINC000587862337 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000587862352 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccncc2)nc2ccccc12 ZINC000587862369 JK Annotated Anodyne COc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc2)cc1 ZINC000587862375 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000587862380 JK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c(OC)c1 ZINC000587862392 JK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c(OC)c1 ZINC000587862393 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000587862408 JK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587862423 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000587862434 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1c(C)nn(-c2ccccc2)c1C ZINC000587862436 JK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862473 JK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862475 JK Annotated Mild COc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)o1 ZINC000587862494 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000587862511 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000587862539 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587862540 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000587862543 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000587862556 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587862558 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C ZINC000587862569 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000587862599 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 ZINC000587862603 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2cc(C)ccc2C)c1 ZINC000587862640 JK Annotated Anodyne COc1cccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)o2)c1 ZINC000587862642 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000587862672 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccco2)nc2onc(C)c12 ZINC000587862680 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1nc(-c2ccccc2C)no1 ZINC000587862698 JK Annotated Anodyne COc1cc(OC)cc(C(C)(C)OC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587862713 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000587862735 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000587862749 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000587862767 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000587862769 JK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc(C)nc21 ZINC000587862780 JK Annotated Anodyne CCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc2)cc1 ZINC000587862811 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc(C)c2)o1 ZINC000587862826 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587862839 JK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc2)cc1 ZINC000587862841 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 ZINC000587862842 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000587862849 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C)c(C)c2)o1 ZINC000587862864 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000587862917 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cc(C)ccc2C)n1 ZINC000587862919 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(C(C)C)cc2)n1 ZINC000587862923 JK Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc1-2 ZINC000587862990 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC(c1ccccc1)c1ccccc1 ZINC000587863001 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000587863023 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000587863024 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000587863061 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000587863099 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000587863125 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1cc(Cl)ccc1Cl ZINC000587863128 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2c(=O)n1-c1cccc(C)c1C ZINC000587863129 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587863135 JK Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)c3ccccc3n2)cn1 ZINC000587863149 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2nc1Cc1ccccc1 ZINC000587863153 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000587863170 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587863211 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000587863217 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587863259 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000587863260 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 ZINC000587863272 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1 ZINC000587863328 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000587863338 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000587863339 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000587863482 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000587863508 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C)c(Br)c1C ZINC000587863521 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C)c(Br)c1C ZINC000587863522 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000587863548 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2cc(Br)c(C)cc2n1 ZINC000587863551 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(Br)ccc2s1 ZINC000587863561 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000587863566 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000587863567 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(Cl)ccc1Cl ZINC000587863574 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(Br)cccc2s1 ZINC000587863575 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(Br)cc1 ZINC000587863588 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000587863604 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sccc1OCc1ccc(C)cc1 ZINC000587863605 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000587863613 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2c(C)nc3ccccn23)cs1 ZINC000587863615 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587863636 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587863637 JK Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n[nH]2)cc1 ZINC000587863653 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 ZINC000587863674 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000587863693 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(N2CCCCC2)cc1Cl ZINC000587863696 JK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2ccccc21 ZINC000587863707 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587863717 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc(Br)cc2s1 ZINC000587863755 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000587863759 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000587863760 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000587863765 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000587863766 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2cc(Br)cc(C)c2n1 ZINC000587863772 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(Br)cc1Cl ZINC000587863773 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2cc(Br)ccc2n1 ZINC000587863774 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2sc(-c3ccccc3)cc12 ZINC000587863775 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(C)c1-c1ccc(C)cc1 ZINC000587863784 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)nc2onc(C)c12 ZINC000587863785 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587863789 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000587863821 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000587863822 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC)c(Br)c1 ZINC000587863825 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cccc(C)c2C)o1 ZINC000587863830 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000587863835 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Br)ccc1Br ZINC000587863842 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(I)cc1 ZINC000587863848 JK Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1 ZINC000587863858 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000587863878 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000587863881 JK Annotated Clean CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000587863897 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(=O)Nc1ccc(C)cc1C ZINC000587863915 JK Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c2ccccc2c1=O ZINC000587863947 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(F)cc1Br ZINC000587863974 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000587863980 JK Annotated Mild CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587863984 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sccc1OCc1ccc(F)cc1 ZINC000587864010 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1cc(Br)cn1 ZINC000587864096 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1cc(Br)cn1 ZINC000587864097 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000587864101 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000587864104 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000587864107 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2c(C)c(Br)ccc2n1 ZINC000587864116 JK Annotated Anodyne CCc1ccc2c(Cl)c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)sc2c1 ZINC000587864119 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(F)c(Br)c1 ZINC000587864121 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(C(F)(F)F)ccc2s1 ZINC000587864122 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000587864128 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)nc2ccccc12 ZINC000587864156 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000587864158 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Br)ccc(OC)c1C ZINC000587864163 JK Annotated Anodyne COc1ccc(-c2cc(N)c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)s2)cc1 ZINC000587864175 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000587864176 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCNC(=O)OC(C)(C)C ZINC000587864182 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnc(NC(=O)C(C)(C)C)c1 ZINC000587864186 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 ZINC000587864188 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2cc(C)ccc2C)c1 ZINC000587864207 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000587864216 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(F)cc2)n1 ZINC000587864221 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(Br)cc1 ZINC000587864223 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(Br)cc2[nH]1 ZINC000587864232 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000587864236 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1nc(C)c(Br)c1C ZINC000587864246 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1nc(C)c(Br)c1C ZINC000587864248 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc(-c2ccc(Cl)cc2)cc1N ZINC000587864257 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C)c(Br)c1C ZINC000587864288 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc(Br)c1 ZINC000587864307 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000587864317 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccccc1Br ZINC000587864333 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC000587864361 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1ccnc2cc(Cl)ccc12 ZINC000587864375 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000587864379 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587864382 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C1CC1 ZINC000587864383 JK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1ccccc1 ZINC000587864397 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 ZINC000587864404 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(N)sc1-c1cccc(F)c1 ZINC000587864414 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000587864428 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587864432 JK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c(OC)c1 ZINC000587864446 JK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c(OC)c1 ZINC000587864448 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cccc(C)c2)o1 ZINC000587864451 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587864457 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000587864464 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000587864473 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2onc(C)c12 ZINC000587864480 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000587864481 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000587864486 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000587864494 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000587864496 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587864497 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cccc(OC)c2)cc(C(F)F)n1 ZINC000587864498 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587864503 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587864506 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccccc2F)n1 ZINC000587864512 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000587864521 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587864537 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587864538 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000587864542 JK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587864544 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000587864546 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587864548 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)ccc1O ZINC000587864563 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000587864564 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2ccccc2c1-n1cccc1 ZINC000587864566 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Br)cc2n[nH]cc12 ZINC000587864575 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000587864588 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000587864596 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000587864612 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cccc(OC)c2)o1 ZINC000587864623 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587864633 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)c(Cl)o1 ZINC000587864636 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)ccc1Br ZINC000587864639 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000587864644 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)c(Br)c1 ZINC000587864648 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587864657 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587864658 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1nc(C)c(Cl)c1C ZINC000587864661 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1nc(C)c(Cl)c1C ZINC000587864662 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2scc(-c3ccc(C)cc3)c12 ZINC000587864665 JK Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cnc2s1 ZINC000587864672 JK Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cnc2s1 ZINC000587864673 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc(Br)c(C)n1 ZINC000587864674 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc(Br)c(C)n1 ZINC000587864675 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(Br)cc1Cl ZINC000587864682 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1Br ZINC000587864683 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cc(C)ccc2c1Cl ZINC000587864684 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(=O)Nc1cccc(Cl)c1C ZINC000587864686 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1 ZINC000587864696 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000587864698 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 ZINC000587864699 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000587864702 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000587864709 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000587864710 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C ZINC000587864716 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C ZINC000587864717 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 ZINC000587864720 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)nc2ccccc12 ZINC000587864729 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc(OC)c(F)c2)n1 ZINC000587864739 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587864767 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1nc(-c2ccccc2C)no1 ZINC000587864771 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000587864774 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000587864805 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 ZINC000587864808 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000587864811 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000587864829 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(F)ccc1Br ZINC000587864831 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000587864833 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587864843 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000587864846 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C(F)(F)F)nc2ccccc12 ZINC000587864857 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sccc1OCc1ccc(Cl)cc1 ZINC000587864893 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(Cl)cc1Cl ZINC000587864901 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587864904 JK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000587864909 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1c(Br)ccc(OC)c1N ZINC000587864915 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)c2cccnc12 ZINC000587864931 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)nc2sc(-c3ccccc3)cc12 ZINC000587864932 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Br)cc1Cl ZINC000587864934 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnn1COc1ccccc1Cl ZINC000587864939 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000587864946 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]c2ccccc2c1Br ZINC000587864953 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(N)sc1-c1ccc(Cl)cc1 ZINC000587864960 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)c(Br)c1 ZINC000587864961 JK Annotated Anodyne CCc1ccc(-c2nc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cs2)cc1 ZINC000587864963 JK Annotated Anodyne CCc1sc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1Br ZINC000587864966 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sccc1OCc1ccccc1 ZINC000587864967 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000587864973 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000587864974 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000587864978 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000587864993 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1nc(C)c(Br)c1C ZINC000587864997 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2cc(C(F)(F)F)ccc2n1 ZINC000587864998 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000587864999 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 ZINC000587865000 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587865001 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000587865002 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587865005 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(Cl)ccc2nc1Cl ZINC000587865007 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000587865018 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2ccccc2OC)c1 ZINC000587865020 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000587865028 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000587865036 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000587865047 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 ZINC000587865048 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587865052 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000587865066 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000587865076 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587865084 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(N)sc1-c1ccc(F)cc1 ZINC000587865099 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587865101 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587865113 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1nc(C)c(Br)c1C ZINC000587865120 JK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000587865126 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587865143 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587865150 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(Cl)c1Cl ZINC000587865172 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C(F)(F)F)cc1C ZINC000587865176 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587865178 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000587865201 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Br)cccc1Br ZINC000587865204 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587865207 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc([N+](=O)[O-])cc1Br ZINC000587865208 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587865210 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(I)c1 ZINC000587865220 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000587865223 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cc(C)ccc2C)o1 ZINC000587865235 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCCCCCCC(=O)NN ZINC000587865238 JK Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)nc2onc(C)c12 ZINC000587865239 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000587865240 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccccc2OC)o1 ZINC000587865259 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C2CCCCC2)cc1 ZINC000587865270 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587865283 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000587865289 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000587865297 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cccc(Cl)c2)n1 ZINC000587865304 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000587865317 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000587865318 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000587865319 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587865326 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C ZINC000587865327 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000587865336 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnn1COc1ccc(Cl)cc1 ZINC000587865340 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(F)cc(Br)c1 ZINC000587865350 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587865353 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587865354 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1-c1nc(-c2cccc(F)c2)no1 ZINC000587865357 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000587865360 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000587865361 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000587865363 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587865365 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587865367 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Cl ZINC000587865371 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587865378 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587865380 JK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000587865382 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 ZINC000587865396 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000587865397 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(Br)cc1F ZINC000587865406 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587865409 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 ZINC000587865411 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ncc(C(F)(F)F)cc1Cl ZINC000587865418 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)cc2C)o1 ZINC000587865556 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000587865574 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000587865581 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000587865582 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000587865599 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)OC(C)(C)c1cc(OC)cc(OC)c1 ZINC000587865619 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccccc2C)n1 ZINC000587865629 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000587865721 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(C(C)C)cc2)n1 ZINC000587865737 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587865739 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587865740 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000587865763 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(ccc3ccccc32)o1 ZINC000587865786 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000587865797 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587865801 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000587865803 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587865821 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000587865833 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000587865842 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC000587865850 JK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)cc(C)nc21 ZINC000587865860 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000587865875 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000587865889 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2CC ZINC000587865892 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000587865914 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc2c(n1)-c1ccc(OC)cc1CC2 ZINC000587865919 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2nc1Cc1ccccc1 ZINC000587865959 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000587865960 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000587865978 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2c1[nH]c1cc(OC)c(OC)cc12 ZINC000587866020 JK Annotated Anodyne CCOCCCn1c(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)nc2ccccc2c1=O ZINC000587866044 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSCc1ccccc1Cl ZINC000587866055 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000587866077 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000587866125 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc3ccccc3c2)n1 ZINC000587866129 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000587866151 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000587866185 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C ZINC000587866213 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)c(Cc2ccccc2)c(O)n1 ZINC000587866216 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cc(C)ccc2C)n1 ZINC000587866238 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000587866258 JK Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c2ccccc2c1=O ZINC000587866284 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(Br)cc1Cl ZINC000587866310 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2c1cnn2-c1ccccc1 ZINC000587866313 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(C)c1-c1ccc(C)cc1 ZINC000587866314 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000587866316 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587866337 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587866341 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587866342 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587866344 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2sc(-c3ccccc3)cc12 ZINC000587866345 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000587866351 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587866359 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587866360 JK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(N)sc1-c1ccc(Cl)cc1 ZINC000587866390 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1c(Cl)cccc1Cl ZINC000587866404 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc(-c2ccc(Cl)cc2)cc1N ZINC000587866421 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2ccccc2c1-n1cccc1 ZINC000587866429 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000587866435 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587866445 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(OC)ccc(Cl)c2s1 ZINC000587866447 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2ccccc2c1Cl ZINC000587866448 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c(S(C)(=O)=O)cc1Cl ZINC000587866455 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nc2ccccc2n1CC ZINC000587866462 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 ZINC000587866476 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nc2ccccc2n1C ZINC000587866478 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)c(Br)cc1Br ZINC000587866520 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Cl)cc1Br ZINC000587866535 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000587866552 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(-c2ccc(CC)cc2)n1 ZINC000587866584 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)c(CC)s1 ZINC000587866636 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000587866637 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(Cl)ccc(Cl)c2s1 ZINC000587866643 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2c(C)cccc2Cl)o1 ZINC000587866654 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)c(Cl)cc1C(C)C ZINC000587866678 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sccc1-c1ccc(C)cc1 ZINC000587866683 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000587866687 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1cc(Cl)ccc1Cl ZINC000587866752 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 ZINC000587866761 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 ZINC000587866772 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000587866826 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)nc2sc(-c3ccccc3)cc12 ZINC000587866834 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cc(Br)ccc2s1 ZINC000587866843 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cc(OC)ccc2OC)[nH]n1 ZINC000587866854 JK Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c2ccccc2c1=O ZINC000587866866 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000587866867 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000587866869 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Br)ccc1Br ZINC000587866875 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)cc(Br)cc1Cl ZINC000587866877 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sccc1OCc1ccc(C)cc1 ZINC000587866887 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1S(=O)(=O)NC(C)(C)C ZINC000587866898 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(Cl)cccc2s1 ZINC000587866900 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2ccc(Cl)cc2s1 ZINC000587866901 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(OC)c(OC)c(OC)c1 ZINC000587866910 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCc1ccc(Cl)cc1 ZINC000587866919 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000587866932 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000587866936 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2c(C)nc3ccccn23)cs1 ZINC000587866951 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587866961 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000587866962 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2sc(C)nc2C)cs1 ZINC000587866964 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000587866966 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000587866967 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000587866993 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000587867000 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)c(Br)c1 ZINC000587867004 JK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c1 ZINC000587867030 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc(-c2ccc(OC)cc2)cc1N ZINC000587867038 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000587867041 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Br)cccc1Br ZINC000587867047 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)nc2sc3c(c12)CCCC3 ZINC000587867048 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)o1 ZINC000587867050 JK Annotated Anodyne C=C1C=C(n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)n2ncc(-c3ccccc3)c2N1 ZINC000587867072 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(Cl)ccc1Cl ZINC000587867077 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000587867078 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000587867080 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000587867096 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1ccnc2cc(Cl)ccc12 ZINC000587867121 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Br)c2ccccc12 ZINC000587867129 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587867139 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(Br)cc2s1 ZINC000587867144 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCCN(C)c1ccccc1 ZINC000587867166 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000587867183 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Br)cc1Cl ZINC000587867211 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587867231 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587867235 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000587867247 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C ZINC000587867257 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000587867264 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000587867267 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000587867269 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000587867271 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cccc(C)c2C)o1 ZINC000587867272 JK Annotated Anodyne CCc1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(Br)c1 ZINC000587867289 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc(-c2ccccc2)cc1N ZINC000587867290 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc(CC)ccc2c1Cl ZINC000587867293 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(Br)cccc2s1 ZINC000587867306 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000587867307 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccs2)nc2onc(C)c12 ZINC000587867320 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1nc(-c2ccccc2)cs1 ZINC000587867350 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(Cl)cc1Cl ZINC000587867354 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587867355 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1-c1ccccc1 ZINC000587867365 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2scc(-c3ccc(OC)cc3)c12 ZINC000587867370 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(Br)c1 ZINC000587867372 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2scc(-c3ccc(C)cc3)c12 ZINC000587867374 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000587867383 JK Annotated Anodyne COc1cccc(OCc2cccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c2)c1 ZINC000587867394 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)C)cc1Br ZINC000587867397 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc(C)ccc2c1Cl ZINC000587867401 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)ccc2C)o1 ZINC000587867403 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000587867404 JK Annotated Bother CCCCCCCCCCCCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867411 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N2CCCCC2)cc1Cl ZINC000587867420 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000587867427 JK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000587867439 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587867475 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587867476 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000587867513 JK Annotated Mild C=C1C=C(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587867526 JK Annotated Anodyne COc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867537 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 ZINC000587867566 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)nc2ccccc12 ZINC000587867579 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000587867591 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587867628 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccnc1SCCC(F)=C(F)F ZINC000587867634 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccc(C)cc2C)c1 ZINC000587867639 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2C)o1 ZINC000587867658 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2scc(-c3ccc(F)cc3)c12 ZINC000587867681 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000587867686 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 ZINC000587867693 JK Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ccc1OCCC(C)C ZINC000587867697 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2c(C)cccc2C)cc1 ZINC000587867712 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587867715 JK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1 ZINC000587867719 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(C)cc2C)cc1 ZINC000587867729 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000587867734 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000587867758 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587867760 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000587867825 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000587867832 JK Annotated Clean COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1Cc1ccccc1 ZINC000587867844 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1OCCOc1ccccc1 ZINC000587867852 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000587867892 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000587867950 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000587867959 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587867966 JK Annotated Anodyne COc1ccc(-c2csc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1F ZINC000587867967 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587867971 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587867972 JK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cnn1-c1ccc(Cl)cc1 ZINC000587867981 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587867989 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587867992 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C ZINC000587867993 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 ZINC000587868021 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000587868029 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000587868030 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587868042 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000587868046 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000587868056 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587868098 JK Annotated Anodyne COc1ccccc1OCc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587868104 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000587868125 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000587868180 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587868183 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587868185 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000587868201 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1OCc1ccc(F)cc1 ZINC000587868213 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000587868229 JK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587868234 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587868287 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCOc1ccc(Cl)cc1C ZINC000587868312 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000587868321 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587868327 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2cc(C)ccc2C)c1 ZINC000587868333 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2cccc(Cl)c2)c1 ZINC000587868337 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587868390 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1 ZINC000587868399 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587868423 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587868437 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000587868449 JK Annotated Anodyne CCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)o2)cc1 ZINC000587868462 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2nc1Cc1ccccc1 ZINC000587868479 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2Cl)cc1 ZINC000587868531 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000587868554 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587868567 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000587868579 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587868597 JK Annotated Mild COc1cccc(-c2cc(C(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c1 ZINC000587868599 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000587868608 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000587868729 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587868760 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F ZINC000587868764 JK Annotated Mild COc1ccccc1-c1cc(C(F)(F)F)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868780 JK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)o2)cc1 ZINC000587868797 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000587868808 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000587868818 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000587868819 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587868821 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587868846 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000587868855 JK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587868893 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000587868908 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587868916 JK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)o1 ZINC000587868943 JK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)o2)cc1 ZINC000587868945 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000587868963 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(C(C)C)cc2)n1 ZINC000587868974 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587869008 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccc(F)cc2F)c1 ZINC000587869015 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000587869027 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587869029 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1-c1nc(-c2cccc(F)c2)no1 ZINC000587869038 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 ZINC000587869060 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2c(=O)n1-c1cccc(C)c1C ZINC000587869072 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 ZINC000587869091 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000587869156 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000587869166 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000587869170 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2c(C)cccc2Cl)o1 ZINC000587869185 JK Annotated Anodyne CCc1ccc2c(Cl)c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)sc2c1 ZINC000587869210 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000587869225 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)o1 ZINC000587869237 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cc(C)ccc2c1Cl ZINC000587869241 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000587869253 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000587869258 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000587869282 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000587869283 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)cc1Br ZINC000587869302 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2scc(-c3ccc(C)cc3)c12 ZINC000587869311 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2ccccc2c1-n1cccc1 ZINC000587869327 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2ccccc2c1Br ZINC000587869372 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000587869385 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccs2)nc2onc(C)c12 ZINC000587869390 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000587869429 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cc(C)c(Cl)c(C)c2)n1 ZINC000587869456 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc(-c2ccc(Cl)cc2)cc1N ZINC000587869499 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(Br)cc1Br ZINC000587869500 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000587869509 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000587869511 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000587869528 JK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1OCc1ccc(Cl)cc1 ZINC000587869564 JK Annotated Anodyne COc1ccc(-c2csc3ncnc(-n4nc(-c5ccc(C(F)(F)F)nc5)cc4OC)c23)cc1 ZINC000587869573 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000587869578 JK Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c3ccccc3n2)cn1 ZINC000587869583 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587869631 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2sc(-c3ccccc3)cc12 ZINC000587869635 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2ccc(Br)cc12 ZINC000587869638 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000587869686 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1cc(Cl)ccc1Cl ZINC000587869692 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000587869699 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(C)C)cc1Br ZINC000587869704 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587869711 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1OCc1ccc(C)cc1 ZINC000587869712 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000587869733 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1OCc1ccccc1 ZINC000587869736 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000587869746 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ccnc2cc(Cl)ccc12 ZINC000587869752 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(Br)cccc2s1 ZINC000587869762 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2ccccc2Br)c1 ZINC000587869793 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000587869800 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587869804 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000587869808 JK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587869814 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000587869831 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000587869850 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000587869862 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000587869863 JK Annotated Anodyne CCc1sc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1Br ZINC000587869924 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Cl)cc1Br ZINC000587869928 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 ZINC000587869929 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc(Br)ccc2s1 ZINC000587869936 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 ZINC000587869937 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2c(C)nc3ccccn23)cs1 ZINC000587869939 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)cc1 ZINC000587869952 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000587869956 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(C)c1-c1ccc(C)cc1 ZINC000587869985 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC(c1ccccc1)c1ccccc1 ZINC000587869989 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000587869997 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(Br)cc2s1 ZINC000587870005 JK Annotated Anodyne CCc1ccc(-c2nc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cs2)cc1 ZINC000587870014 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000587870024 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000587870061 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000587870062 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000587870075 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000587870076 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc2sc(-c3ccccc3)cc12 ZINC000587870087 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000587870088 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)cc1Cl ZINC000587870089 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)c(Br)cc1C(C)C ZINC000587870093 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2s1 ZINC000587870107 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000587870124 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000587870206 JK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC000587870207 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000587870210 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587870246 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc3cccnc23)cc1 ZINC000587870331 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587870338 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587870340 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587870365 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587870368 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000587870419 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(c1c(C)noc1C)(C3)C2 ZINC000587870422 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000587870429 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587870469 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000587870498 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2Cl)cc1 ZINC000587870506 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccccc2OC)cc(C(F)(F)F)n1 ZINC000587870538 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 ZINC000587870618 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000587870620 JK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cnn1-c1ccc(Cl)cc1 ZINC000587870633 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000587870639 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cn(CC)nc2C)cc(C(F)(F)F)n1 ZINC000587870641 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587870706 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000587870736 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1 ZINC000587870745 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587870756 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000587870791 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 ZINC000587870797 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 ZINC000587870826 JK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587870829 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587870867 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587870877 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000587870911 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2C)o1 ZINC000587870933 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C(C)C)cc2)cc1 ZINC000587870945 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 ZINC000587870960 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000587870999 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 ZINC000587871001 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000587871014 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587871017 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 ZINC000587871049 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587871086 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587871096 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587871127 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000587871137 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587871153 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000587871158 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C ZINC000587871201 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccnc1SCCC(F)=C(F)F ZINC000587871218 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000587871242 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000587871251 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000587871282 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587871287 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000587871289 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000587871290 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000587871317 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000587871323 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587871335 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F ZINC000587871388 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F ZINC000587871389 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F ZINC000587871391 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F ZINC000587871394 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587871437 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000587871454 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000587871471 JK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)o1 ZINC000587871499 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cnn(CC)c2C)cc(C(F)(F)F)n1 ZINC000587871511 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(Cl)c2)cc1 ZINC000587871522 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587871536 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000587871558 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1 ZINC000587871563 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587871564 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000587871565 JK Annotated Anodyne O=C(c1ccc(COc2c(Cl)cccc2Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587871723 JK Annotated Anodyne O=C(COc1ccc(Br)cc1Br)n1nc2cc1oc1ccc(F)cc21 ZINC000587871741 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 ZINC000587871755 JK Annotated Anodyne O=C(c1cccc(COc2ccc(Br)cc2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587871764 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cnn(CC)c2C)nc2ccccc12 ZINC000587871798 JK Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)c(C)c1Br ZINC000587871805 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000587871806 JK Annotated Anodyne O=C(c1cccc(COc2cccc(Br)c2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587871816 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2CC ZINC000587871820 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587871829 JK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)o2)cc1 ZINC000587871843 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000587871848 JK Annotated Anodyne O=C(c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587871884 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000587871902 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587871925 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000587871929 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587871955 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C ZINC000587871959 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)c(Br)s1 ZINC000587872055 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 ZINC000587872079 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1OCc1ccc(Cl)cc1 ZINC000587872081 JK Annotated Anodyne O=C(c1cccc(COc2ccccc2Br)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872097 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(N)sc1-c1ccc(C(C)(C)C)cc1 ZINC000587872106 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587872140 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872141 JK Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1COc1ccc(Br)cc1 ZINC000587872166 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000587872324 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 ZINC000587872337 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12 ZINC000587872346 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000587872355 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000587872409 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000587872432 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000587872470 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000587872473 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000587872495 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1scc(Br)c1Br ZINC000587872499 JK Annotated Anodyne Cc1cc(Br)cc(Br)c1OCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587872554 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2c(=O)n1-c1cccc(C)c1C ZINC000587872643 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 ZINC000587872690 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000587872721 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C ZINC000587872728 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC000587872729 JK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872738 JK Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Br)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872827 JK Annotated Anodyne O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872893 JK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2cc(Br)ccc2c1Cl ZINC000587872910 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1 ZINC000587873013 JK Annotated Anodyne O=C(c1cccc(COc2cc(Cl)ccc2Cl)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873186 JK Annotated Anodyne O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873245 JK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587873279 JK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873295 JK Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873297 JK Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)c(C)c1Br ZINC000587873307 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000587873347 JK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2Cl)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873358 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000587873374 JK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000587873388 JK Annotated Anodyne O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873462 JK Annotated Anodyne O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873465 JK Annotated Anodyne O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873466 JK Annotated Anodyne O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873467 JK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873480 JK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873484 JK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873485 JK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873486 JK Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1C ZINC000587873500 JK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1C ZINC000587873503 JK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1C ZINC000587873504 JK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1C ZINC000587873505 JK Annotated Anodyne O=C(c1cccc(COc2cccc(Cl)c2Cl)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873522 JK Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1COc1cccc(Cl)c1Cl ZINC000587873541 JK Annotated Anodyne O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873556 JK Annotated Anodyne O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873662 JK Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)n4nc5cc4oc4ccc(F)cc54)c3N2)cc1 ZINC000587873735 JK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)n4nc5cc4oc4ccc(F)cc54)c3N2)cc1 ZINC000587873737 JK Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)n4nc5cc4oc4ccc(F)cc54)c3N2)cc1 ZINC000587873738 JK Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)n4nc5cc4oc4ccc(F)cc54)c3N2)cc1 ZINC000587873739 JK Annotated Anodyne Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587873891 JK Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1COc1ccccc1Cl ZINC000587873920 JK Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1COc1ccc(Cl)cc1 ZINC000587873925 JK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873976 JK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873978 JK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873980 JK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873981 JK Annotated Anodyne O=C(c1cc(F)c(Cl)cc1F)N1CCC(C(=O)n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587873982 JK Annotated Anodyne O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)n1nc2cc1oc1ccc(F)cc21 ZINC000587874032 JK Annotated Anodyne CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccccc1OC(F)F ZINC000587874038 JK Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1COc1ccc(Cl)c(C)c1 ZINC000587874044 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)cc1OC ZINC000587874046 JK Annotated Anodyne Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2c(C)nn(Cc3ccc(Cl)cc3)c2n1 ZINC000587874121 JK Annotated Anodyne O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874141 JK Annotated Anodyne Cc1ccc(-n2nc(C(F)(F)F)cc2OCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874146 JK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc(-c4ccc(Br)cc4)cc(C(F)F)n3)c2c1 ZINC000587874180 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc1 ZINC000587874222 JK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587874359 JK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3)c2c1 ZINC000587874364 JK Annotated Anodyne Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)n1 ZINC000587874381 JK Annotated Anodyne O=C(c1ccc(COc2ccc(Cl)cc2Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874403 JK Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874410 JK Annotated Anodyne COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\CCCCOCc1ccccc1 ZINC000587874561 JK Annotated Mild COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C/CCCCOCc1ccccc1 ZINC000587874564 JK Annotated Mild Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587874696 JK Annotated Anodyne CCn1nc(C)c2c(C(=O)n3nc4cc3oc3ccc(F)cc43)cc(-c3ccc(C)cc3)nc21 ZINC000587874699 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)ccc1Cl ZINC000587874729 JK Annotated Anodyne CCCCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CBr ZINC000587874765 JK Annotated Reactive O=C(c1ccn(COc2ccc(-c3ccccc3)cc2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874780 JK Annotated Anodyne CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccc(Cl)cc1 ZINC000587874793 JK Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587874845 JK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587875049 JK Annotated Mild CC[C@@H](C)COc1cc([N+](=O)[O-])c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587875050 JK Annotated Mild CC(C)(C#N)c1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(C)(C)C#N)c1 ZINC000587875058 JK Annotated Mild O=[N+]([O-])c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587875154 JK Annotated Bother CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587875358 JK Annotated Anodyne CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587875362 JK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/CCBr)cc1 ZINC000587875367 JK Annotated Reactive CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587875368 JK Annotated Anodyne CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587875371 JK Annotated Anodyne O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875374 JK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)c(C)c1 ZINC000587875375 JK Annotated Anodyne O=[N+]([O-])c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000587875383 JK Annotated Bother O=C(n1nc2cc1oc1ccc(F)cc21)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587875403 JK Annotated Anodyne O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875699 JK Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587875705 JK Annotated Bother COc1ccc(-n2nc(C)c3c(C(=O)n4nc5cc4oc4ccc(F)cc54)cc(C4CC4)nc32)cc1 ZINC000587875709 JK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc3cc2oc2ccc(F)cc32)c(C)c1 ZINC000587875744 JK Annotated Bother Cc1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccc(C)cc2)cc1 ZINC000587875811 JK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3s2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875827 JK Annotated Anodyne O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12)n1nc2cc1oc1ccc(F)cc21 ZINC000587875866 JK Annotated Anodyne CCn1c(-n2nc3cc2oc2ccc(F)cc32)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587875871 JK Annotated Anodyne O=C1C(C(=O)C(c2ccccc2)c2ccccc2)=C(n2nc3cc2oc2ccc(F)cc32)c2ccccc21 ZINC000587875900 JK Annotated Mild O=C(c1ccc(COc2ccccc2Cc2ccccc2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876003 JK Annotated Anodyne O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)n1nc2cc1oc1ccc(F)cc21 ZINC000587876096 JK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncnc4cc(-c5ccc(Br)cc5)sc34)c2c1 ZINC000587876122 JK Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccccc1 ZINC000587876163 JK Annotated Anodyne Cc1c(N)c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl ZINC000587876195 JK Annotated Mild Cc1ccccc1-n1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nc2ccccc2c1=O ZINC000587876217 JK Annotated Anodyne O=C(CSc1nnc(SCc2ccccc2Cl)s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876294 JK Annotated Anodyne Cc1ccc(CSc2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)s2)cc1 ZINC000587876297 JK Annotated Anodyne O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876301 JK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(C(=O)c2ccccc2)oc2ccccc12 ZINC000587876348 JK Annotated Mild Cc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2ccncc2)cc1 ZINC000587876350 JK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccccc2)cc1 ZINC000587876389 JK Annotated Anodyne Cc1c(Cl)cc(Br)c(N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876400 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1\CC[C@@H](c2cccc3ccccc23)C(=O)O1 ZINC000587876476 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1/CC[C@@H](c2cccc3ccccc23)C(=O)O1 ZINC000587876477 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1/CC[C@H](c2cccc3ccccc23)C(=O)O1 ZINC000587876478 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1\CC[C@H](c2cccc3ccccc23)C(=O)O1 ZINC000587876479 JK Annotated Mild O=C(c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876497 JK Annotated Anodyne CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000587876526 JK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000587876550 JK Annotated Bother O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876587 JK Annotated Anodyne Cc1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1Cl ZINC000587876600 JK Annotated Mild CC(C)(C)OC(=O)n1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000587876651 JK Annotated Mild O=C1c2cccc3cccc(c23)N1Cc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876672 JK Annotated Anodyne Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1Cl ZINC000587876767 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc2cccc(CBr)c12 ZINC000587876792 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)cc2cccnc12 ZINC000587876815 JK Annotated Mild O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876877 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587876879 JK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)c2ncccc2c1 ZINC000587876890 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2ccc(CBr)cc2c1 ZINC000587876892 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2cc(CBr)ccc2c1 ZINC000587876936 JK Annotated Reactive Cc1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccccc2)cc1 ZINC000587876941 JK Annotated Anodyne COc1ccc2ccccc2c1-c1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)on1 ZINC000587876942 JK Annotated Mild O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877054 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2ccccc2)cc1 ZINC000587877091 JK Annotated Anodyne Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c(Cl)c1Cl ZINC000587877120 JK Annotated Mild CCCCc1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877251 JK Annotated Mild CCCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1C=O ZINC000587877252 JK Annotated Mild CC(C)c1cc(Br)c(N=C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877255 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(C(=O)c2ccccc2)c1O ZINC000587877370 JK Annotated Mild COc1ccc(CNc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 ZINC000587877387 JK Annotated Mild CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCc1ccccc1 ZINC000587877428 JK Annotated Mild CC(C)(C)c1cc(Br)c(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877432 JK Annotated Mild CC(C)(C)c1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877467 JK Annotated Mild CC(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1Cl ZINC000587877476 JK Annotated Mild CC(C)(C)c1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877480 JK Annotated Mild CCCCOc1c(Br)cc(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877535 JK Annotated Mild CC(C)c1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877538 JK Annotated Mild CCOc1cc(NCc2ccccc2)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877571 JK Annotated Mild CCCNc1cc(OCCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877631 JK Annotated Mild CCCCNc1cc(OCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877682 JK Annotated Mild COc1ccc(CNc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])cc1 ZINC000587877716 JK Annotated Mild CCCOc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587877732 JK Annotated Mild CC(C)(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000587877749 JK Annotated Mild CCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877792 JK Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCl)cc1OCC ZINC000587877796 JK Annotated Reactive Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877816 JK Annotated Mild CCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587877818 JK Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587877823 JK Annotated Mild CCCOc1cc(NC(C)(C)C)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877906 JK Annotated Mild COc1cc(Br)c(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877959 JK Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1C(=O)Nc1ccccc1C#N ZINC000587878033 JK Annotated Mild CCOc1cc(NC2CCCCC2)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878125 JK Annotated Mild CCOc1cc(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCCC(C)C ZINC000587878131 JK Annotated Mild Cc1cc(NC(=O)OC(C)(C)C)c(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878192 JK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)OC(C)(C)C)cc1C ZINC000587878198 JK Annotated Mild CCCOc1cc(NC2CCCCC2)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878209 JK Annotated Mild COc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878245 JK Annotated Mild CC(C)COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587878276 JK Annotated Mild CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878282 JK Annotated Mild COc1cc(NC2CCCCC2)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878298 JK Annotated Mild CCCOc1cc(NC(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878333 JK Annotated Mild CC(C)(C)OC(=O)Nc1cc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO ZINC000587878357 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)cc1OC[C@@H]1CCCCO1 ZINC000587878386 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)cc1OC[C@H]1CCCCO1 ZINC000587878387 JK Annotated Mild CC(C)(C)Oc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878407 JK Annotated Mild O=Cc1cccn1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878473 JK Annotated Mild Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878568 JK Annotated Mild CC(C)(C)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878707 JK Annotated Mild O=Cc1cccn1-c1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878712 JK Annotated Mild Cc1cc(-n2c(C)cc(C=O)c2C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878810 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000587878891 JK Annotated Mild O=Cc1cccc(OCc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878925 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc(-c2ccccc2Cl)n1 ZINC000587878987 JK Annotated Mild CCCC(=O)Oc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c12 ZINC000587879021 JK Annotated Mild COc1ccc(C=O)cc1COc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879031 JK Annotated Mild Nc1ccc(Oc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000587879035 JK Annotated Mild COC(=O)c1ccc(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587879073 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1/C=C\c1ccc2cccc(O)c2n1 ZINC000587879112 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1/C=C/c1ccc2cccc(O)c2n1 ZINC000587879113 JK Annotated Mild CC(C)[C@@H]1N=C(c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)OC1(C)C ZINC000587879119 JK Annotated Mild Cc1ccc([N+](=O)[O-])c(Oc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879223 JK Annotated Mild C[C@H](NC(=O)OC(C)(C)C)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879228 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000587879281 JK Annotated Mild Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879291 JK Annotated Mild Cc1ccc(Oc2ccc3ncccc3c2N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879325 JK Annotated Mild COc1ccc(C(=O)Cc2ccccc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879368 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 ZINC000587879483 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000587879568 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc(-c2ccccc2)n1 ZINC000587879569 JK Annotated Mild Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879629 JK Annotated Mild NC1CCC(Oc2ccc(Cl)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587879891 JK Annotated Mild Cc1ccc(Oc2ncccc2C#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879931 JK Annotated Mild COc1ccc(C(=O)Cc2ccccc2C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879953 JK Annotated Mild Cc1ccc(Oc2ccc(N)cc2Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880207 JK Annotated Mild CCCCN(CCCC)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880223 JK Annotated Mild Cc1cc(C)cc(COc2ccc(C=O)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880242 JK Annotated Mild Cc1ccccc1NC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880426 JK Annotated Mild CC(C)COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)c1OC(C)C ZINC000587880455 JK Annotated Mild CC(C)(C)OC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587880585 JK Annotated Mild CCCOc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC ZINC000587880634 JK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1NC(=O)OC(C)(C)C ZINC000587880714 JK Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000587880810 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(OCc2cccnc2)c1 ZINC000587880880 JK Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)c1ccccc1Cl ZINC000587880921 JK Annotated Mild CC[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl)C(=O)Cl ZINC000587880945 JK Annotated Reactive CC[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl)C(=O)Cl ZINC000587880946 JK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587880967 JK Annotated Mild Cc1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C=O)cc1 ZINC000587880992 JK Annotated Mild CC(C)(C)OC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl ZINC000587881036 JK Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000587881187 JK Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)c1cccc(C#N)c1 ZINC000587881201 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(Nc2ccccc2)c1 ZINC000587881299 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCCc2ccccc2)c(C(=O)O)c1 ZINC000587881301 JK Annotated Mild CC(C)=CCC/C(C)=C\COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587881394 JK Annotated Mild CC(C)=CCC/C(C)=C/COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587881395 JK Annotated Mild O=Cc1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Cl)o1 ZINC000587881432 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000587881435 JK Annotated Mild COc1ccc(CNc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 ZINC000587881491 JK Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccc2)nc1Cl ZINC000587881513 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2ncc(-c3ccco3)o2)c1 ZINC000587881955 JK Annotated Mild CC(=O)c1ccc(Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587881972 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2C=C(NOC3CCC3)C2)c1 ZINC000587881982 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2C=C(NOC3CCC3)C2)c1 ZINC000587881983 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2[nH]c3ccccc3c2C(=O)O)c1 ZINC000587882066 JK Annotated Mild Cc1cc(C(=O)CCl)c(C)n1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882137 JK Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882269 JK Annotated Mild C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882270 JK Annotated Mild O=Cc1c(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)[nH]c2ccccc12 ZINC000587882327 JK Annotated Mild COc1cccc(C=O)c1OCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882387 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nnc(C3CCCCC3)o2)c1 ZINC000587882388 JK Annotated Mild O=Cc1cn(Cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c2ccccc12 ZINC000587882410 JK Annotated Mild CC(C)(C)OC(=O)NC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587882429 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nc(-c3ccc(O)cc3)no2)c1 ZINC000587882439 JK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1-c1nc(CN=[N+]=[N-])c(C)o1 ZINC000587882502 JK Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OCc2ccccc2)c1 ZINC000587882570 JK Annotated Mild COc1c(C)cc(C(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1C ZINC000587882659 JK Annotated Mild Cc1ccccc1/C=C\C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882791 JK Annotated Mild Cc1ccccc1/C=C/C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882792 JK Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Oc1ccc(Cl)cc1 ZINC000587883010 JK Annotated Mild CC(C)(C)OC(=O)NC(C)(C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883032 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C(=O)c2ccccc2Cl)c1 ZINC000587883039 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(OCc2ccccc2)c1 ZINC000587883043 JK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000587883112 JK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)c1ccccc1C ZINC000587883122 JK Annotated Mild CC(C)(C)C(=O)Nc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883152 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000587883188 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COc2ccc(Cl)cc2)cc1 ZINC000587883207 JK Annotated Mild O=C(O)/C=C\c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883214 JK Annotated Mild O=C(O)/C=C/c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883215 JK Annotated Mild O=Cc1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cnc1Cl ZINC000587883248 JK Annotated Mild COc1cccc(C=O)c1OCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883254 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cccc3c2oc2ccccc23)cc1 ZINC000587883255 JK Annotated Mild CC(C)(C)OC(=O)n1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587883259 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(O)c3ccccc23)cc1 ZINC000587883279 JK Annotated Mild C=C1C=C(C)n2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cc2N1 ZINC000587883331 JK Annotated Mild CC(=O)c1ccc(OCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883332 JK Annotated Mild CCCCc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883334 JK Annotated Mild CC(C)(C)c1onc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C(=O)O ZINC000587883344 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CCCCCC2)cc1 ZINC000587883377 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1 ZINC000587883396 JK Annotated Mild Nc1cccc(-c2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)no2)c1 ZINC000587883399 JK Annotated Mild CC(C)N(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883405 JK Annotated Mild C[C@H](NC(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883407 JK Annotated Mild C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883408 JK Annotated Mild Cc1ccc(-c2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)no2)cc1 ZINC000587883424 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000587883446 JK Annotated Mild CC(C)(C)OC(=O)n1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cn1 ZINC000587883455 JK Annotated Mild CCCCC[C@@H]1CC[C@@H](c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883463 JK Annotated Mild CCCCCC1CCC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883464 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587883465 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587883466 JK Annotated Mild CC(C)Oc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883593 JK Annotated Mild CCN(CC)c1ccc(N=Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883594 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C=C(c2ccccc2)c2ccccc2)cc1 ZINC000587883614 JK Annotated Mild O=Cc1ccc(OCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883621 JK Annotated Mild CC(C)(C)OC(=O)NC1CC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000587883637 JK Annotated Mild Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883653 JK Annotated Mild O=Cc1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc2cc(Cl)ccn12 ZINC000587883659 JK Annotated Mild N#C/C(=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000587883663 JK Annotated Reactive N#C/C(=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000587883664 JK Annotated Reactive CC(C)(C)OC(=O)NC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883688 JK Annotated Mild Cc1ccc2c(c1)NC(c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc1)=CO2 ZINC000587883702 JK Annotated Mild CCCCC1CCC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883720 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1 ZINC000587883722 JK Annotated Mild Cc1cccn2c(C=O)c(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cc12 ZINC000587883742 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(-c3ccccc3)n2)cc1 ZINC000587883743 JK Annotated Mild CC(C)(C)OC(=O)NC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCC1 ZINC000587883755 JK Annotated Mild COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883776 JK Annotated Mild CCOC(=O)/C=C/c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883781 JK Annotated Mild CCOC(=O)/C=C\c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883782 JK Annotated Mild CN(C)c1ccc(N=Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883795 JK Annotated Mild O=Cc1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[nH]c2ccccc12 ZINC000587883807 JK Annotated Mild Cc1ccc(NCCC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883847 JK Annotated Mild CCCCCC[C@H](C)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883850 JK Annotated Mild CCCCCC[C@@H](C)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883851 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587883936 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2 ZINC000587884084 JK Annotated Mild CC(C)(C)OC(=O)n1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884088 JK Annotated Mild CC(C)c1ccc(/C=C(/C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884130 JK Annotated Reactive CC(C)c1ccc(/C=C(\C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884133 JK Annotated Reactive CC(=O)Nc1ccc(NCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884156 JK Annotated Mild CN(CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)OC(C)(C)C ZINC000587884159 JK Annotated Mild N#C/C(=C/c1cccc2ccccc12)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884209 JK Annotated Reactive N#C/C(=C\c1cccc2ccccc12)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884217 JK Annotated Reactive Cc1ccc(-c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)o1 ZINC000587884292 JK Annotated Mild COc1ccc(/C=C(/C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884391 JK Annotated Reactive COc1ccc(/C=C(\C#N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884392 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000587884427 JK Annotated Mild CCCCCCc1ccc2c(c1)Cc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1-2 ZINC000587884434 JK Annotated Mild Cc1c(C2CC2)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1C(=O)O ZINC000587884455 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884472 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1 ZINC000587884520 JK Annotated Mild CC(C)(NCc1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884554 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587884562 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587884563 JK Annotated Mild CC1(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2-c2ccc3ccccc3c21 ZINC000587884597 JK Annotated Mild CCC1(CC)c2ccccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884738 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000587884889 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000587884892 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)Cc1ccc(Br)cc1C2 ZINC000587884934 JK Annotated Mild CC(=O)c1cccc(N2COc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3C2)c1 ZINC000587884955 JK Annotated Mild CCCCCCN[C@H](CC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884972 JK Annotated Mild CCCCCCN[C@@H](CC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884974 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1 ZINC000587885137 JK Annotated Mild N#C/C(=C/c1ccccc1Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885147 JK Annotated Reactive N#C/C(=C\c1ccccc1Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885148 JK Annotated Reactive CCc1ccc(NCCC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885181 JK Annotated Mild CC(C)(C)OC(=O)n1cc(C=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587885232 JK Annotated Mild COc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2cc1Cc1ccccc1 ZINC000587885278 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CNc2ccc(Cl)cc2)cc1 ZINC000587885346 JK Annotated Mild COC(=O)c1ccc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885726 JK Annotated Mild C=C1Nc2ccccc2C(=O)N1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885778 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)cc1 ZINC000587885824 JK Annotated Mild N#Cc1ccc2cc(Br)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1 ZINC000587885977 JK Annotated Mild CC(C)N(CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(C)C ZINC000587886009 JK Annotated Mild Cc1c(C(=O)O)oc2c(Cl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886125 JK Annotated Mild CCOC(=O)c1cnc2c(C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1Cl ZINC000587886158 JK Annotated Mild CCOC(=O)c1ccc(Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587886170 JK Annotated Mild O=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886180 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c([C@@H]3CCCCO3)c(O)ccc2c1 ZINC000587886233 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c([C@H]3CCCCO3)c(O)ccc2c1 ZINC000587886234 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC2C3CC4CC(C3)CC2C4)cc1 ZINC000587886235 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000587886246 JK Annotated Mild Cc1nnc(-c2ccc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3c2)o1 ZINC000587886253 JK Annotated Mild COC(=O)c1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587886407 JK Annotated Mild CC1(C)CC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Cl)c2O1 ZINC000587886409 JK Annotated Mild CCCOc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)ncn2C(C)(C)C ZINC000587886412 JK Annotated Mild N#Cc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Br)cc2c1 ZINC000587886418 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(CNC3CC3)cc2)cc1 ZINC000587886438 JK Annotated Mild CC(C)(C)OC(=O)n1ccc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886441 JK Annotated Mild O=Cc1ccc(COc2ccc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3c2)o1 ZINC000587886462 JK Annotated Mild CC(C)(C)OC(=O)Nc1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886479 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1 ZINC000587886488 JK Annotated Mild Cc1cc(C(=O)CCl)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886515 JK Annotated Reactive Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886633 JK Annotated Mild CC(C)(C)OC(=O)c1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886646 JK Annotated Mild CCCc1nnc(-c2ccc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3c2)o1 ZINC000587886694 JK Annotated Mild CCO[C@H](C)Oc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886716 JK Annotated Mild CCO[C@@H](C)Oc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886717 JK Annotated Mild Cc1ccc(N=NNc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587886784 JK Annotated Mild CCOc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)ncn2C(C)(C)C ZINC000587886864 JK Annotated Mild COc1ccc(Cn2cnc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)cc1 ZINC000587886873 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 ZINC000587886923 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3ccc4ccccc4c3c2c1 ZINC000587886973 JK Annotated Mild CCCCOc1cc2oc(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886986 JK Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Cl)c2[nH]1 ZINC000587886990 JK Annotated Mild C[C@H](Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000587887471 JK Annotated Mild C[C@@H](Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000587887472 JK Annotated Mild CCCN(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887547 JK Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Cl ZINC000587887583 JK Annotated Mild CCCCN(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887594 JK Annotated Mild CC(C)(C)OC(=O)Nc1cc(Cl)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887687 JK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccc(C=O)cc21 ZINC000587887799 JK Annotated Mild COC(=O)c1cc(Cl)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc(C)c2n1 ZINC000587887979 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587887987 JK Annotated Mild Cc1c(C(=O)O)oc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Cl)cc12 ZINC000587888019 JK Annotated Mild COc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cccnc12 ZINC000587888102 JK Annotated Mild COc1ccccc1-c1c[nH]c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587888172 JK Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)ncn2C1CCCCC1 ZINC000587888289 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c3c(ccc(Br)c13)CC2 ZINC000587888314 JK Annotated Mild CC(C)(C)OC(=O)n1cc(C=O)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc21 ZINC000587888329 JK Annotated Mild COC(=O)c1cc(Cl)c2cc(Cl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587888361 JK Annotated Mild CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000587888372 JK Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c2cccnc12 ZINC000587888473 JK Annotated Mild CC(C)(C)OC(=O)n1ccc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888487 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ncccc12 ZINC000587888499 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c(-c3cccc4ncccc34)nc2c1 ZINC000587888548 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc21 ZINC000587888629 JK Annotated Mild Cc1ccc(-n2c(C)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c3c2CCCC3=O)cc1 ZINC000587888635 JK Annotated Mild Cc1cccc2c1c(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)cn2C(=O)OC(C)(C)C ZINC000587888740 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000587888798 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c(-c3cc(Cl)ccc3O)nc2c1 ZINC000587888886 JK Annotated Mild COc1c(O)c(Br)c2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888904 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000587888995 JK Annotated Mild CC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2n1C(=O)OC(C)(C)C ZINC000587889004 JK Annotated Mild CCCCn1c(C)nc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587889037 JK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C#N)ccc21 ZINC000587889084 JK Annotated Mild Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889093 JK Annotated Mild CC(C)(C)NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000587889127 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c(C(=O)O)cc(-c3cccnc3)nc12 ZINC000587889210 JK Annotated Mild COc1c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2c1Br ZINC000587889282 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(ccc3cc(Br)cnc32)c1 ZINC000587889358 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587889388 JK Annotated Mild CC(C)(C)OC(=O)Nc1cnc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2c1 ZINC000587889413 JK Annotated Mild CCOC(=O)c1cc2cc(C(C)C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587889428 JK Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n(C(=O)OC(C)(C)C)c2ccccc12 ZINC000587889880 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(Cl)nc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889930 JK Annotated Mild CC(C)(C)OC(=O)n1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(Cl)c21 ZINC000587890099 JK Annotated Mild Cc1ccc(-c2nc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cn3c2C=O)cc1 ZINC000587890633 JK Annotated Mild COC(=O)c1ccc2c(C3CCCCC3)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587890953 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)CBr)cc1 ZINC000587891131 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc2sc(S)nc12 ZINC000587891360 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000587891424 JK Annotated Mild N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1N1CCC(C(F)(F)F)CC1 ZINC000587891427 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1Br ZINC000587891429 JK Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891431 JK Annotated Mild CCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891433 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000587891439 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1Br ZINC000587891455 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000587891467 JK Annotated Mild CCC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891476 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1CBr ZINC000587891510 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CC(F)(F)C2(Cl)Cl)cc1 ZINC000587891538 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CC(F)(F)C2(Cl)Cl)cc1 ZINC000587891539 JK Annotated Mild N#Cc1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c[nH]c2cc1C(F)(F)F ZINC000587891558 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)c2nc(S)sc2c1 ZINC000587891567 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(OC(F)(F)F)c1 ZINC000587891573 JK Annotated Mild Cc1cc(C(F)(F)F)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nsc2n1 ZINC000587891577 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000587891616 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1N=C=S ZINC000587891689 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(CCl)c1 ZINC000587891723 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC000587891766 JK Annotated Mild CC(=O)/C=C/c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891780 JK Annotated Mild CC(=O)/C=C\c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891781 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000587891782 JK Annotated Mild Cc1ccc(F)c(NC(=O)OC(C)(C)C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891805 JK Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587891809 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587891833 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000587891837 JK Annotated Mild O=Cc1c[nH]c2cc(C(F)(F)F)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587891853 JK Annotated Mild C=CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)c1 ZINC000587891886 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(F)(F)F)nc(Cl)c2c1 ZINC000587891897 JK Annotated Mild N#Cc1cc(C(F)(F)F)cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c[nH]c12 ZINC000587891950 JK Annotated Mild Nc1cc(C(F)(F)F)ccc1Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587891971 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(OC(F)(F)F)c1 ZINC000587892015 JK Annotated Reactive C=CCOc1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587892022 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1OC(F)(F)F ZINC000587892063 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(N=C=S)c(Br)c1 ZINC000587892068 JK Annotated Reactive COc1ccc2nc(C(F)(F)F)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000587892081 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(OC(F)(F)F)ccc1Br ZINC000587892123 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)cc2sc(S)nc12 ZINC000587892151 JK Annotated Mild CC(C)Oc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587892152 JK Annotated Mild CCOc1cc(CC#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(F)(F)F ZINC000587892155 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC000587892173 JK Annotated Mild Cc1ccc(NC(=O)OCC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587892174 JK Annotated Mild Nc1c(F)cc(Br)c(C(F)(F)F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892178 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(OC(F)F)c1 ZINC000587892179 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)F)cc(Br)c1Cl ZINC000587892183 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(OC(F)F)c1 ZINC000587892190 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)ccc1C(F)(F)F ZINC000587892197 JK Annotated Reactive Cc1cc(NC(=O)OCC(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892202 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cc1C(F)(F)F ZINC000587892246 JK Annotated Reactive O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCC(F)(F)F ZINC000587892247 JK Annotated Mild Nc1c(Br)cc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892254 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(C(F)(F)F)c1 ZINC000587892266 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)OCC(F)(F)F)c(Cl)c1 ZINC000587892291 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1OC(F)F ZINC000587892293 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(SC(F)(F)F)cc2ncoc12 ZINC000587892300 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(NC2CCCCC2)c(F)c1F ZINC000587892336 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1CBr ZINC000587892404 JK Annotated Reactive Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892435 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(CC(F)(F)F)c1 ZINC000587892449 JK Annotated Mild CC(C)COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587892463 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(C(F)(F)F)ccc1Br ZINC000587892479 JK Annotated Mild CCOC(=O)/C=C/c1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892497 JK Annotated Mild CCOC(=O)/C=C\c1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892498 JK Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1C(F)(F)F ZINC000587892507 JK Annotated Mild COC(OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892545 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(NCc2ccccc2)cc1F ZINC000587892695 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c2cccnc12 ZINC000587892750 JK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)OCC(F)(F)F ZINC000587893020 JK Annotated Mild Nc1cc(C(F)(F)F)c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893033 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(C(F)(F)F)c(Br)c1 ZINC000587893044 JK Annotated Mild COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893050 JK Annotated Mild COc1cc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587893082 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(Br)c(C(F)(F)F)c1 ZINC000587893091 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)C(F)(F)F)cc1C(F)(F)F ZINC000587893094 JK Annotated Mild N#Cc1cccc(F)c1-c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000587893120 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c(Br)c1 ZINC000587893141 JK Annotated Mild Nc1cc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587893187 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc(Br)c1O ZINC000587893197 JK Annotated Mild CC(C)(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893247 JK Annotated Mild COc1ccc(C(F)(F)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893265 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000587893302 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000587893303 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c(C(F)(F)F)c1 ZINC000587893334 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(NC2CCCCC2)cc1F ZINC000587893397 JK Annotated Mild COc1ccc(C(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1F ZINC000587893830 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(CO)cc2F)cc1 ZINC000587893869 JK Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000587894150 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(C(=O)O)cc2F)cc1 ZINC000587894240 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894245 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC000587894289 JK Annotated Mild CC(C)(C)OC(=O)NCCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894371 JK Annotated Mild CC(=O)/C=C/c1ccccc1Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894472 JK Annotated Mild CC(=O)/C=C\c1ccccc1Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894473 JK Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(F)c1F ZINC000587894552 JK Annotated Mild CC(C)(C)OC(=O)Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(Cl)c1F ZINC000587894553 JK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894647 JK Annotated Mild COc1ccc(CSc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2F)cc1 ZINC000587894651 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@H](C(=O)O)c2ccccc2)c(F)c1 ZINC000587894778 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)c(F)c1 ZINC000587894779 JK Annotated Mild Nc1ccc(S(F)(F)(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894809 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(S(F)(F)(F)(F)F)c1 ZINC000587894861 JK Annotated Reactive CCOP(=O)(Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)OCC ZINC000587894919 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1N=C=S ZINC000587895231 JK Annotated Reactive Cc1c(S(=O)(=O)Cl)sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587895260 JK Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000587895290 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c2ncc(Br)cc2c1 ZINC000587895302 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C2CCCCC2)c(Br)s1 ZINC000587895349 JK Annotated Mild Nc1cc(S(F)(F)(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587895368 JK Annotated Reactive CC(C)c1ccc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895560 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)cc2ncoc12 ZINC000587895613 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(N=C=S)c1 ZINC000587895720 JK Annotated Reactive CCCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587895817 JK Annotated Mild Cc1c(Br)sc(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895849 JK Annotated Mild CCCCCCCCCCc1ccsc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895853 JK Annotated Mild Nc1cc(S(F)(F)(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587895855 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)cc2nc[nH]c12 ZINC000587895945 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(Br)cc1C1CCCCC1 ZINC000587896038 JK Annotated Mild O=Cc1cccnc1Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896099 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CSc2ncccc2C(=O)O)c1 ZINC000587896107 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)cc1Br ZINC000587896325 JK Annotated Reactive CSc1nc(Cl)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587896327 JK Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Sc2ccc(Cl)cc2)o1 ZINC000587896390 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(F)cc(Br)cc2c1 ZINC000587896451 JK Annotated Mild CCCCc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896470 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CSc2ccccc2C(=O)O)cc1 ZINC000587896582 JK Annotated Mild Cc1cc(C(=O)O)sc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896586 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CSc2ncccc2C(=O)O)cc1 ZINC000587896674 JK Annotated Mild CCOC(CSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)OCC ZINC000587896758 JK Annotated Mild CCCCCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587896826 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(S)n2C2CCCCC2)cc1 ZINC000587896848 JK Annotated Mild CC(C)Cn1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cnc1S ZINC000587896852 JK Annotated Mild CCCCCCc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896918 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(N=C=S)ccc1Br ZINC000587896932 JK Annotated Reactive Cc1ccc(Sc2oc(C=O)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897051 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(-c2cccs2)sc1-c1cccs1 ZINC000587897084 JK Annotated Mild Nc1ccc(CSc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587897105 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(Br)c1 ZINC000587897125 JK Annotated Reactive CCOC(=O)CCCSc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897166 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1N=C=S ZINC000587897237 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1-c1sccc1Br ZINC000587897242 JK Annotated Mild CCCCCCCCCCCCc1ccsc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897266 JK Annotated Mild CC(C)c1cnc(S)n1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897285 JK Annotated Mild O=Cc1ccc(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c([N+](=O)[O-])c1 ZINC000587897300 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SCCc2ccncc2)cc1 ZINC000587897336 JK Annotated Mild CCOC(CSc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCC ZINC000587897342 JK Annotated Mild CC(=O)c1sc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1C ZINC000587897379 JK Annotated Mild CCOC(=O)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897392 JK Annotated Mild CC1CCN(c2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cs2)CC1 ZINC000587897396 JK Annotated Mild Cc1ccc(CNCc2cccs2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897405 JK Annotated Mild CCOC(=O)c1csc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000587897407 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nnc(-c3cccs3)o2)c1 ZINC000587897418 JK Annotated Mild CCOC(=O)c1csc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587897432 JK Annotated Mild O=C(O)CSc1csc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897444 JK Annotated Mild CCOC(=O)c1sc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1N ZINC000587897456 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(C(=O)c3cccs3)cc2c1 ZINC000587897461 JK Annotated Mild COC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897490 JK Annotated Mild Cc1nc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1[C@H](C)N ZINC000587897496 JK Annotated Mild Cc1nc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1[C@@H](C)N ZINC000587897497 JK Annotated Mild CCOC(=O)c1nc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cs1 ZINC000587897500 JK Annotated Mild Cc1nc(-c2ccc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cc2)cs1 ZINC000587897507 JK Annotated Mild CCOC(=O)c1sc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)nc1C ZINC000587897509 JK Annotated Mild Cc1nc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1[C@H](C)O ZINC000587897534 JK Annotated Mild Cc1nc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1[C@@H](C)O ZINC000587897535 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(/C=C\C(=O)c2ccc(Cl)cc2)c1 ZINC000587897543 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(/C=C/C(=O)c2ccc(Cl)cc2)c1 ZINC000587897544 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000587897585 JK Annotated Mild CCOC(=O)c1csc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897598 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3)s1 ZINC000587897606 JK Annotated Mild Nc1nc(-c2ccc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cc2)cs1 ZINC000587897609 JK Annotated Mild O=C(O)/C=C\c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587897616 JK Annotated Mild O=C(O)/C=C/c1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587897617 JK Annotated Mild CCCCCCCCCCCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897630 JK Annotated Mild CCOC(=O)c1nc(-c2ccccc2)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897638 JK Annotated Mild Cc1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)sc1[C@H](C)O ZINC000587897668 JK Annotated Mild Cc1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)sc1[C@@H](C)O ZINC000587897669 JK Annotated Mild O=Cc1ccc(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587897690 JK Annotated Mild Cc1ccc(C(=O)O)cc1OCc1csc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897704 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C(\C(=O)O)c2cccs2)cc1 ZINC000587897712 JK Annotated Mild CCOC(=O)c1sc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1N ZINC000587897730 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C\c2ccc3cccc(O)c3n2)s1 ZINC000587897789 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/c2ccc3cccc(O)c3n2)s1 ZINC000587897790 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000587897796 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)O ZINC000587897843 JK Annotated Mild CCCCCCc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)s1 ZINC000587897874 JK Annotated Mild CCCCCCCCCc1ccsc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897883 JK Annotated Mild O=C(O)/C=C\c1ccc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)s1 ZINC000587897921 JK Annotated Mild O=C(O)/C=C/c1ccc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)s1 ZINC000587897922 JK Annotated Mild Nc1ccc(-c2nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3s2)cc1 ZINC000587898045 JK Annotated Mild CCOC(=O)Cc1csc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587898084 JK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc(CC#Cc4cc(Cl)ccc4OC)cc3)c(=O)oc2c1 ZINC000587898097 JK Annotated Mild CSC1=N/C(=C\c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C(=O)S1 ZINC000587898100 JK Annotated Mild CSC1=N/C(=C/c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C(=O)S1 ZINC000587898103 JK Annotated Mild Cc1ccc(C(=O)c2c(N)sc3c2CCC3)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587898137 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cc3nc[nH]c(=S)c3s2)cc1 ZINC000587898268 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc2scc(Br)c12 ZINC000587898344 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nc2c(s1)C(=O)CCC2 ZINC000587898357 JK Annotated Mild COc1ccc(Cl)cc1C#CCc1c(C)c(CBr)c(C)c(CBr)c1C ZINC000587898442 JK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c2sc(Cl)nc12 ZINC000587898551 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(s1)-c1sc(Br)cc1C2 ZINC000587898564 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2nc(S)sc2c1 ZINC000587898666 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2sc(S)nc12 ZINC000587898693 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc3ncnc(Cl)c23)cc1 ZINC000587898761 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587898930 JK Annotated Mild COc1ccc(Cl)cc1C#CCC(CBr)=C(CBr)CBr ZINC000587899069 JK Annotated Reactive CCOC(=O)c1sc2ccsc2c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587899141 JK Annotated Mild CC(C)(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(S)sc2c1 ZINC000587899142 JK Annotated Mild CSC1=N/C(=C\c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C(=O)S1 ZINC000587899143 JK Annotated Mild CSC1=N/C(=C/c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C(=O)S1 ZINC000587899144 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc3c(s2)C(=O)CCC3)cc1 ZINC000587899165 JK Annotated Mild Nc1sc2c(c1C(=O)c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc1)CCC2 ZINC000587899192 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cc(O)cc3sc(=O)oc23)cc1 ZINC000587899203 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)sc2ccccc12 ZINC000587899221 JK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc3c(O)ncnc23)cc1 ZINC000587899235 JK Annotated Mild CC(C)(C)OC(=O)N1CCc2scc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1 ZINC000587899269 JK Annotated Mild C=C(C)C(=O)Oc1c(Br)cc(Br)cc1C#Cc1cc(Cl)ccc1OC ZINC000587899626 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cc1Br ZINC000587899899 JK Annotated Mild C=CC(=O)Oc1c(Br)cc(Br)cc1C#Cc1cc(Cl)ccc1OC ZINC000587900108 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c(C(=O)c2c(C)cc(OC)c(OC)c2OC)c1C ZINC000587900301 JK Annotated Mild COc1ccc(-c2ccc(OC)c(C#Cc3cc(Cl)ccc3OC)c2)cc1Br ZINC000587900363 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(Br)c1OCc1ccccc1 ZINC000587900496 JK Annotated Mild C=CCOc1c(Br)cc(Br)cc1C#Cc1cc(Cl)ccc1OC ZINC000587900530 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000587900912 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(Br)cc2)cc1Br ZINC000587901497 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587901536 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2ccc(Br)cc2)ccc1Br ZINC000587901794 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000587902113 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587902180 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12 ZINC000587902647 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1NN/C(=C\c1ccccc1)c1ccccc1 ZINC000587902952 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1NN/C(=C/c1ccccc1)c1ccccc1 ZINC000587902954 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N=Nc2ccc(N)cc2N)c(Br)c1 ZINC000587903057 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cnc1N=Nc1ccc(N)cc1N ZINC000587903785 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(-c2ccc(Br)cc2)c1 ZINC000587904158 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)O)c1 ZINC000587904662 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)O)c1 ZINC000587904664 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-n2cc(C=O)c(C34CC5CC(CC(C5)C3)C4)n2)c1 ZINC000587905029 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 ZINC000587906536 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2[nH]nc(-c3ccc(Br)cc3)c2C)cc1 ZINC000587906591 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2[nH]nc(-c3ccc(Br)cc3)c2Cl)cc1 ZINC000587906779 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2nc(-c3ccc(Br)cc3)cc2N)cc1 ZINC000587906786 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(C(=O)O)c(C)n2-c2cccc(Cl)c2C)cc1 ZINC000587906822 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1 ZINC000587906888 JK Annotated Mild COC(=O)c1c(OC)c(C#Cc2cc(Cl)ccc2OC)cc2cc(Br)ccc12 ZINC000587906999 JK Annotated Mild CCOC(=O)c1cc2ccc(C#Cc3cc(Cl)ccc3OC)cc2n1C(=O)OC(C)(C)C ZINC000587907214 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000587907247 JK Annotated Mild CCOC(=O)c1oc2ccc(C#Cc3cc(Cl)ccc3OC)cc2c1NC(=O)OC(C)(C)C ZINC000587908044 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Br)C(=O)c1ccccc1C2=O ZINC000587908257 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccc(C(C)(C)C)cc3)cc(C(=O)O)c2c1 ZINC000587908547 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccc(C(C)(C)C)cc3)cc(C(=O)O)c2c1 ZINC000587908548 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CN2 ZINC000587908554 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587908571 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587908572 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C1(CC=CC1)c1cc(Br)ccc1-2 ZINC000587908594 JK Annotated Mild CCc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#Cc4cc(Cl)ccc4OC)ccc3n2)cc1 ZINC000587908783 JK Annotated Mild CCc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#Cc4cc(Cl)ccc4OC)ccc3n2)cc1 ZINC000587908784 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)COC1(CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587908859 JK Annotated Mild COc1ccc(N2COc3ccc4cc(C#Cc5cc(Cl)ccc5OC)ccc4c3C2)cc1 ZINC000587908862 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccc(C)cc3)cc(C(=O)O)c2c1 ZINC000587908866 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccc(C)cc3)cc(C(=O)O)c2c1 ZINC000587908867 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)cc(C(=O)O)c2c1 ZINC000587908882 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccc(N(C)C)cc3)cc(C(=O)O)c2c1 ZINC000587908883 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1 ZINC000587908902 JK Annotated Mild C=C[C@@H]1C[C@]12c1cc(Br)ccc1-c1ccc(C#Cc3cc(Cl)ccc3OC)cc12 ZINC000587908943 JK Annotated Mild C=C[C@H]1C[C@@]12c1cc(Br)ccc1-c1ccc(C#Cc3cc(Cl)ccc3OC)cc12 ZINC000587908945 JK Annotated Mild C=C[C@H]1C[C@]12c1cc(Br)ccc1-c1ccc(C#Cc3cc(Cl)ccc3OC)cc12 ZINC000587908948 JK Annotated Mild C=C[C@@H]1C[C@@]12c1cc(Br)ccc1-c1ccc(C#Cc3cc(Cl)ccc3OC)cc12 ZINC000587908951 JK Annotated Mild CCOC(=O)c1cc2cc(C#Cc3cc(Cl)ccc3OC)ccc2n1C(=O)OC(C)(C)C ZINC000587909073 JK Annotated Mild CCOc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#Cc4cc(Cl)ccc4OC)ccc3n2)cc1 ZINC000587909080 JK Annotated Mild CCOc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#Cc4cc(Cl)ccc4OC)ccc3n2)cc1 ZINC000587909081 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc([N+](=O)[O-])c(=Nc3ccc(C(C)(C)C#N)cc3)c2c1 ZINC000587909117 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C1(CCOCC1)c1cc(Br)ccc1-2 ZINC000587909125 JK Annotated Mild CCCC1(CCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587909302 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(N)c(=Nc3ccc(C(C)(C)C#N)cc3)c2c1 ZINC000587909414 JK Annotated Mild CCCCn1c2ccc(Br)cc2c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587909472 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@H]1CO1 ZINC000587909475 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H]1CO1 ZINC000587909476 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccccc3C)cc(C(=O)O)c2c1 ZINC000587909544 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccccc3C)cc(C(=O)O)c2c1 ZINC000587909545 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12 ZINC000587910182 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1C(=NOCC1CCCCC1)C(=O)N2 ZINC000587910201 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12 ZINC000587910336 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1 ZINC000587910562 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(NC(=O)OC(C)(C)C)cc1NC(=O)C(C)(C)C ZINC000587910822 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000587910838 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1 ZINC000587911037 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1NCC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587911145 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(NC(=O)C(C)(C)C)c2nc(N)oc12 ZINC000587911379 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2oc(N)nc2c1NC(=O)C(C)(C)C ZINC000587911484 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2[nH]cnc12 ZINC000587911670 JK Annotated Mild CCOC(=O)c1c(C)oc2cc(C#Cc3cc(Cl)ccc3OC)c(O)c(Br)c12 ZINC000587911671 JK Annotated Mild CCOC(=O)c1c(C)oc2cc(Br)c(O)c(C#Cc3cc(Cl)ccc3OC)c12 ZINC000587911807 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)nc(Br)n1Cc1ccccc1 ZINC000587911926 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1Br ZINC000587912485 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)(F)C(F)(F)C(F)(F)F)nn(C(C)=O)c1C ZINC000587912859 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(NC(=O)OC(C)(C)C)c2oc(C(C)(C)C)nc12 ZINC000587912878 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000587913546 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc(Br)c1C(F)(F)F ZINC000587913697 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1nnc(S)n1-c1cccc(C(F)(F)F)c1 ZINC000587913970 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(C(F)(F)F)c(Br)c1O ZINC000587914121 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Br)c1C(F)(F)F ZINC000587914129 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1S(=O)(=O)NCc1ccccc1 ZINC000587914403 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)F)nn(Cc2cc(C=O)ccc2OC)c1C(F)F ZINC000587914407 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(C=O)c(C(F)(F)F)nn2C)cc1 ZINC000587914545 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OC(F)(F)F)c1N=C=S ZINC000587914557 JK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Br)c(N=C=S)c(OC(F)(F)F)c1 ZINC000587914570 JK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Br)c(NC(=O)C(C)(C)C)c([N+](=O)[O-])c1F ZINC000587914623 JK Annotated Mild CCOC(=O)Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C#Cc1cc(Cl)ccc1OC ZINC000587915010 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)s1 ZINC000587915405 JK Annotated Mild CCOCn1c(-c2ccc(Cl)cc2)c(C#N)c(C#Cc2cc(Cl)ccc2OC)c1C(F)(F)F ZINC000587915653 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(F)c([N+](=O)[O-])c1NC(=O)C(C)(C)C ZINC000587915661 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccc(F)cc3)cc(C(=O)O)c2c1 ZINC000587916305 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cn3cc(-c4ccc(F)cc4)sc3n2)cc1 ZINC000587916444 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)ccc1-n1c(-c2ccc(C)c(C)c2)cc(C(=O)O)c1C ZINC000587916497 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(OC)c([C@H](O)c3ccc(F)c(Cl)c3)cc2c1 ZINC000587916630 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(OC)c([C@@H](O)c3ccc(F)c(Cl)c3)cc2c1 ZINC000587916632 JK Annotated Mild COc1ccc(Cl)cc1C#C/C=C(/OP(=O)(OC)OC)c1ccc(Cl)cc1Cl ZINC000587917105 JK Annotated Mild COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587917249 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C)c1I ZINC000587917278 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(I)c(Br)c1F ZINC000587917279 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(I)cc1CBr ZINC000587917324 JK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(I)ccc1OC(F)(F)F ZINC000587917346 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(I)c[nH]c2cc1C(F)(F)F ZINC000587917360 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(I)c(Br)c1 ZINC000587917383 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1I ZINC000587917421 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(F)cc1Br ZINC000587917453 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(F)ccc12 ZINC000587917570 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(I)cc1NC(=O)OC(C)(C)C ZINC000587917583 JK Annotated Mild CCOP(=O)(OCC)O/C(=C/C#Cc1cc(Cl)ccc1OC)c1ccc(Cl)cc1Cl ZINC000587917639 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CS(C)(=O)=O)ccc1Nc1ccc(Cl)cc1 ZINC000587917690 JK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(Br)cc(I)c1 ZINC000587917729 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)c1I ZINC000587917744 JK Annotated Mild COc1ccc(Cl)cc1C#CCc1cccc(I)c1Br ZINC000587917749 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)cc2oc(C(C)(C)C)nc12 ZINC000587917754 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1I ZINC000587917796 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(F)c1I ZINC000587917808 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(I)cc1Br ZINC000587917841 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(I)cc(Cl)c(F)c1Cl ZINC000587917866 JK Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(Br)cc1I ZINC000587917887 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)cc(OC(F)(F)F)c1 ZINC000587917893 JK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(I)ccc1Br ZINC000587917897 JK Annotated Mild COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(C#Cc2cc(Cl)ccc2OC)cc1Cl ZINC000587917900 JK Annotated Mild COC(=O)c1cc2nc[nH]c2c(F)c1Nc1ccc(C#Cc2cc(Cl)ccc2OC)cc1Cl ZINC000587917913 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(I)c(Br)c1 ZINC000587917945 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)ccc1OC(=O)OC(C)(C)C ZINC000587917978 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cn3cc(I)ccc3n2)cc1 ZINC000587918015 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)c(Cl)c(Cl)c1OC ZINC000587918036 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000587918052 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)c(Br)cc(F)c1I ZINC000587918059 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(I)cc1OC(=O)OC(C)(C)C ZINC000587918067 JK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(Br)ccc1I ZINC000587918086 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1S(=O)(=O)Cl ZINC000587918281 JK Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccc(C)cc1NS(=O)(=O)c1cc(N)ccc1Cl ZINC000587918322 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)N(C)Cc2cccc(C)c2)c(C)s1 ZINC000587918402 JK Annotated Mild CCOc1ccc(-n2c(S)nnc2COc2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1 ZINC000587918633 JK Annotated Mild CCCCCCCCCCc1cc(C#Cc2cc(Cl)ccc2OC)sc1Br ZINC000587918741 JK Annotated Mild CCCCCCCCCCCCc1cc(C#Cc2cc(Cl)ccc2OC)sc1Br ZINC000587918789 JK Annotated Mild CCOC(=O)c1sc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1NC(=O)CCl ZINC000587918860 JK Annotated Reactive CCn1c(S)nnc1-c1cc(Br)c(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587918867 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587918887 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n(CCC3=CCCCC3)c(=O)c2c1 ZINC000587919042 JK Annotated Mild CCn1c(S)nnc1-c1cccc(COc2ccccc2C#Cc2cc(Cl)ccc2OC)c1 ZINC000587919058 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1nnc(S)n1-c1ccc(Cl)c(Cl)c1 ZINC000587919103 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(SSc2cccc(Br)c2N)c1N ZINC000587919105 JK Annotated Reactive COc1ccc(-n2c(S)nnc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)cc1Cl ZINC000587919115 JK Annotated Mild CCn1c(S)nnc1-c1cc(C#Cc2cc(Cl)ccc2OC)c(Br)s1 ZINC000587919224 JK Annotated Mild CCCCCCCCn1c(S)nnc1COc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587919248 JK Annotated Mild CCCCCCc1c(Br)sc(C#Cc2cc(Cl)ccc2OC)c1CCCCCC ZINC000587919287 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(CO)c(-c3ccccc3)nn2C)cc1 ZINC000587919687 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c(NC(=S)c2ccccc2)c1 ZINC000587919724 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(C=O)c(-c3ccccc3)nn2C)cc1 ZINC000587919770 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(Cl)nc(Cl)nc2n1S(=O)(=O)c1ccccc1 ZINC000587919780 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1NC(=S)c1ccccc1 ZINC000587919815 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(CCl)c(-c3ccccc3)nn2C)cc1 ZINC000587919879 JK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1 ZINC000587920154 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)cc1 ZINC000587920155 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000587920166 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000587920167 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(Br)Br)c2nsnc12 ZINC000587920183 JK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 ZINC000587920312 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000587920333 JK Annotated Mild CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587920423 JK Annotated Anodyne CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587920425 JK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1ccc(SCc2nc(Cl)c3c(C)c(C)sc3n2)cc1 ZINC000587920519 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000587920570 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000587920571 JK Annotated Mild Cc1ccc(-c2csc([C@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)cc1C ZINC000587920578 JK Annotated Anodyne Cc1ccc(-c2csc([C@@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)cc1C ZINC000587920584 JK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1ccc(/C=C/c2nc(Cl)c3c4c(sc3n2)CCCC4)cc1 ZINC000587920783 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc([C@@H]2SCC(=O)N2c2cc(Cl)ccc2O)c1 ZINC000587920819 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc([C@H]2SCC(=O)N2c2cc(Cl)ccc2O)c1 ZINC000587920820 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 ZINC000587920822 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1 ZINC000587920826 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c2sc(-c3ccccc3)nc12 ZINC000587920829 JK Annotated Mild CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C(C)(C)C)c1O ZINC000587920886 JK Annotated Reactive CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(C(C)(C)C)c1O ZINC000587920887 JK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(-c3csc(-c4cccnc4)n3)cc2)cc1 ZINC000587920921 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc3n2NC(c2ccc(O)c(O)c2)=CS3)cc1 ZINC000587921030 JK Annotated Mild CCCCCCCN1C(=O)c2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2C1=O ZINC000587921107 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c2nc(-c3ccccc3)sc12 ZINC000587921248 JK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000587921355 JK Annotated Mild Clc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587921376 JK Annotated Anodyne Clc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587921377 JK Annotated Anodyne Fc1ccc(F)c(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)c1 ZINC000587921532 JK Annotated Anodyne Fc1ccc(F)c(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)c1 ZINC000587921533 JK Annotated Anodyne CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587921560 JK Annotated Anodyne CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587921561 JK Annotated Anodyne CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3cc(F)ccc3F)cs2)cc(C(C)(C)C)c1O ZINC000587921797 JK Annotated Reactive CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3cc(F)ccc3F)cs2)cc(C(C)(C)C)c1O ZINC000587921798 JK Annotated Reactive Cc1cc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587921803 JK Annotated Clean Cc1cc(-c2csc(-c3ccccc3I)n2)c(C)n1-c1ccccc1F ZINC000587921811 JK Annotated Clean Cc1cc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c(C)n1-c1ccccc1F ZINC000587921835 JK Annotated Clean Cc1cc(-c2csc(-c3ccccc3S(=O)(=O)N(C)C)n2)c(C)n1-c1ccccc1F ZINC000587921880 JK Annotated Clean Cc1cc(-c2csc(COc3cccc(OC(F)(F)F)c3)n2)c(C)n1-c1ccccc1F ZINC000587921882 JK Annotated Clean CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C(C)(C)C)c1O ZINC000587921953 JK Annotated Reactive CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(C(C)(C)C)c1O ZINC000587921954 JK Annotated Reactive Cc1cc(-c2csc(COc3ccc(OC(F)(F)F)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922025 JK Annotated Clean Cc1cc(-c2csc(-c3cccc(CNC(=O)OC(C)(C)C)c3)n2)c(C)n1-c1ccccc1F ZINC000587922052 JK Annotated Clean Cc1cc(-c2csc(-c3ccc(I)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922078 JK Annotated Clean CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587922102 JK Annotated Anodyne CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587922103 JK Annotated Anodyne Cc1cc(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922145 JK Annotated Clean Fc1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1F ZINC000587922171 JK Annotated Anodyne Fc1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1F ZINC000587922172 JK Annotated Anodyne COc1ccccc1Oc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587922217 JK Annotated Clean Cc1cc(-c2csc(-c3ccc4[nH]c(-c5cccs5)nc4c3)n2)c(C)n1-c1ccccc1F ZINC000587922221 JK Annotated Clean Cc1cc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C)n1-c1ccccc1F ZINC000587922259 JK Annotated Clean Cc1cc(-c2csc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922285 JK Annotated Clean Cc1cc(C(F)(F)F)n(CCc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 ZINC000587922306 JK Annotated Anodyne CCCCc1ccc(-c2ccc(-c3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)cc2)cc1 ZINC000587922334 JK Annotated Clean Cc1cc(-c2csc([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)n2)c(C)n1-c1ccccc1F ZINC000587922337 JK Annotated Clean Cc1cc(-c2csc([C@H]3CCCN(C(=O)OCc4ccccc4)C3)n2)c(C)n1-c1ccccc1F ZINC000587922339 JK Annotated Clean CCN(c1ccc(-c2csc(COc3cccc(OC(F)(F)F)c3)n2)cc1)S(C)(=O)=O ZINC000587922341 JK Annotated Anodyne Cc1nn(CCc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c(C)c1Cl ZINC000587922347 JK Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)c1C ZINC000587922349 JK Annotated Reactive Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000587922351 JK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000587922356 JK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000587922359 JK Annotated Anodyne CCN(c1ccc(-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587922363 JK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000587922378 JK Annotated Anodyne CCN(c1ccc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O ZINC000587922383 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(Oc4ccccc4OC)cc3)n2)cc1)S(C)(=O)=O ZINC000587922461 JK Annotated Anodyne Cc1cc(-c2csc(-c3cccnc3Nc3ccc(C(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922470 JK Annotated Clean Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COc3ccc(F)cc3Cl)n2)cc1 ZINC000587922548 JK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 ZINC000587922582 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(Nc4nc(C)cs4)cc3)n2)cc1)S(C)(=O)=O ZINC000587922585 JK Annotated Anodyne Cc1cc(-c2csc([C@H]3CN(C(=O)OCc4ccccc4)CCO3)n2)c(C)n1-c1ccccc1F ZINC000587922610 JK Annotated Clean Cc1cc(-c2csc([C@@H]3CN(C(=O)OCc4ccccc4)CCO3)n2)c(C)n1-c1ccccc1F ZINC000587922611 JK Annotated Clean CCN(c1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)cs3)n2)cc1)S(C)(=O)=O ZINC000587922617 JK Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1C ZINC000587922625 JK Annotated Reactive CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1C ZINC000587922631 JK Annotated Reactive COc1ccc(Br)c(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 ZINC000587922639 JK Annotated Clean Cc1cc(-c2csc(COc3ccccc3-c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922692 JK Annotated Clean Cc1cc(-c2csc(-c3cccc(I)c3)n2)c(C)n1-c1ccccc1F ZINC000587922712 JK Annotated Clean COc1ccc(CCNC(=O)Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1OC ZINC000587922764 JK Annotated Clean Cc1cc(-c2csc(-c3ccc(C(N)=S)c4ccccc34)n2)c(C)n1-c1ccccc1F ZINC000587922783 JK Annotated Clean COc1ccc(Br)cc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922787 JK Annotated Clean Cc1cc(-c2csc([C@@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)c(C)n1-c1ccccc1F ZINC000587922793 JK Annotated Clean Cc1cc(-c2csc([C@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)c(C)n1-c1ccccc1F ZINC000587922794 JK Annotated Clean Cc1cc(-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)c(C)n1-c1ccccc1F ZINC000587922798 JK Annotated Clean Cc1cc(-c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922808 JK Annotated Clean Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3nccn3Cc3ccccc3)n2)cc1 ZINC000587922822 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1)S(C)(=O)=O ZINC000587922868 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(Br)cc3F)n2)cc1)S(C)(=O)=O ZINC000587922882 JK Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1C ZINC000587922888 JK Annotated Reactive CCN(c1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1)S(C)(=O)=O ZINC000587922895 JK Annotated Anodyne CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1C ZINC000587922897 JK Annotated Reactive CCN(c1ccc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)cc1)S(C)(=O)=O ZINC000587922900 JK Annotated Anodyne Cc1cc(-c2csc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)c(C)n1-c1ccccc1F ZINC000587922909 JK Annotated Clean Cc1cc(-c2csc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)c(C)n1-c1ccccc1F ZINC000587922910 JK Annotated Clean CCOC(=O)COc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587922916 JK Annotated Clean Cc1cc(-c2csc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922933 JK Annotated Clean CCN(c1ccc(-c2csc(COc3ccccc3-c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587922941 JK Annotated Anodyne Cc1cc(-c2csc(-c3ccc(NC(=O)CC4CCCC4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922961 JK Annotated Clean Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000587922968 JK Annotated Anodyne Cc1cc(-c2csc(CCCN3C(=O)c4ccccc4C3=O)n2)c(C)n1-c1ccccc1F ZINC000587922973 JK Annotated Clean O=C1CN(c2ncccc2-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)CCN1 ZINC000587922984 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)cc1)S(C)(=O)=O ZINC000587923030 JK Annotated Bother CCN(c1ccc(-c2csc(-c3ccc(Br)cc3C)n2)cc1)S(C)(=O)=O ZINC000587923076 JK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COc3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000587923082 JK Annotated Anodyne Nc1nnc(-c2cccc(-c3nc(-c4c(-c5ccc(F)cc5)[nH]c5ccccc45)cs3)c2)o1 ZINC000587923155 JK Annotated Anodyne Cc1cc2ncn(CCc3nc(-c4c(-c5ccc(F)cc5)[nH]c5ccccc45)cs3)c2cc1C ZINC000587923174 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 ZINC000587923214 JK Annotated Anodyne Cc1nnc(N2CCCC2)c(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1C ZINC000587923222 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(C(N)=S)c4ccccc34)n2)cc1)S(C)(=O)=O ZINC000587923385 JK Annotated Anodyne CCCCc1ccc(-c2ccc(-c3nc(-c4ccc(N(CC)S(C)(=O)=O)cc4)cs3)cc2)cc1 ZINC000587923421 JK Annotated Anodyne O=C(CC1CCCC1)Nc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 ZINC000587923434 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923475 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923477 JK Annotated Anodyne CCN(c1ccc(-c2csc([C@@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)cc1)S(C)(=O)=O ZINC000587923498 JK Annotated Anodyne CCN(c1ccc(-c2csc([C@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)cc1)S(C)(=O)=O ZINC000587923499 JK Annotated Anodyne CCN(c1ccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587923509 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1)S(C)(=O)=O ZINC000587923531 JK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc4[nH]c(-c5cccs5)nc4c3)n2)cc1 ZINC000587923546 JK Annotated Anodyne CCN(c1ccc(-c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923577 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(C)cc3Br)n2)cc1)S(C)(=O)=O ZINC000587923588 JK Annotated Anodyne C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923592 JK Annotated Anodyne C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923593 JK Annotated Anodyne CCN(c1ccc(-c2csc(-c3cccc(CNC(=O)OC(C)(C)C)c3)n2)cc1)S(C)(=O)=O ZINC000587923601 JK Annotated Anodyne CN(c1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923610 JK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923631 JK Annotated Anodyne CN(c1ccc(-c2csc(-c3cccnc3Nc3ccc(C(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923637 JK Annotated Anodyne Cc1ccc(-c2csc(Cc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)n2)cc1 ZINC000587923651 JK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923676 JK Annotated Anodyne Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587923753 JK Annotated Anodyne Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587923754 JK Annotated Anodyne CN(C)c1cccc(Oc2ccc(-c3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cc2)c1 ZINC000587923916 JK Annotated Anodyne CCCCc1ccc(-c2ccc(-c3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cc2)cc1 ZINC000587923918 JK Annotated Anodyne COc1ccccc1Oc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923935 JK Annotated Anodyne CN(c1ccc(-c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923951 JK Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1C ZINC000587924019 JK Annotated Reactive COc1ccccc1Oc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924032 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCn4nc(C)c(Cl)c4C)n3)c2C)c1 ZINC000587924039 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4cccc(C(F)(F)F)c4)n3)c2C)c1 ZINC000587924042 JK Annotated Clean COCCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cn1 ZINC000587924054 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(F)cc4Cl)n3)c2C)c1 ZINC000587924055 JK Annotated Clean COCCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924056 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(-c5nnc(N)o5)c4)n3)c2C)c1 ZINC000587924067 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCN(C)C(=O)OC(C)(C)C)n3)c2C)c1 ZINC000587924072 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Oc5ccccc5)cc4)n3)c2C)c1 ZINC000587924073 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(Br)cc4)n3)c2C)c1 ZINC000587924080 JK Annotated Clean COc1cc(N)c(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OC ZINC000587924084 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4cn5cc(Cl)cc(Cl)c5n4)n3)c2C)c1 ZINC000587924094 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)c2C)c1 ZINC000587924099 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(S(=O)(=O)N(C)C)cc4)n3)c2C)c1 ZINC000587924110 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(S(N)(=O)=O)c4)n3)c2C)c1 ZINC000587924112 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccccc4-c4ccccc4)n3)c2C)c1 ZINC000587924117 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)cc4Br)n3)c2C)c1 ZINC000587924120 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCn4nc(C(F)(F)F)cc4C)n3)c2C)c1 ZINC000587924121 JK Annotated Clean CC(C)(C)c1ccc(Nc2ncccc2-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587924124 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Br)cc4F)n3)c2C)c1 ZINC000587924126 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/C=C/c4ccccc4)n3)c2C)c1 ZINC000587924134 JK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/C=C\c4ccccc4)n3)c2C)c1 ZINC000587924135 JK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4NC(=O)c4ccco4)n3)c2C)c1 ZINC000587924136 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(Br)c4)n3)c2C)c1 ZINC000587924138 JK Annotated Clean COc1ccc(Cc2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OC ZINC000587924140 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(S(N)(=O)=O)cc4)n3)c2C)c1 ZINC000587924142 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4cccc(OC(F)(F)F)c4)n3)c2C)c1 ZINC000587924146 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(-c5ccc(O)cc5)cc4)n3)c2C)c1 ZINC000587924149 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(Oc5ccccc5)c4)n3)c2C)c1 ZINC000587924150 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(Cl)cc4Cl)n3)c2C)c1 ZINC000587924157 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C[C@@H](C)NC(=O)OC(C)(C)C)n3)c2C)c1 ZINC000587924158 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(=C\c4ccccc4O)C(=O)O)n3)c2C)c1 ZINC000587924159 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(=C/c4ccccc4O)C(=O)O)n3)c2C)c1 ZINC000587924160 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(F)(F)F)c(F)c4)n3)c2C)c1 ZINC000587924167 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OCc5ccccc5)cc4)n3)c2C)c1 ZINC000587924170 JK Annotated Clean COc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 ZINC000587924176 JK Annotated Clean CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1C ZINC000587924181 JK Annotated Reactive CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1C ZINC000587924182 JK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(C[C@H](C)n4ccc(C(F)(F)F)n4)n3)c2C)c1 ZINC000587924189 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C[C@@H](C)n4ccc(C(F)(F)F)n4)n3)c2C)c1 ZINC000587924190 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4Br)n3)c2C)c1 ZINC000587924191 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(-c5ccc(C)cc5)cc4)n3)c2C)c1 ZINC000587924195 JK Annotated Clean CNS(=O)(=O)c1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924204 JK Annotated Clean CCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OC ZINC000587924212 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(NC(=O)C5CC5)cc4)n3)c2C)c1 ZINC000587924228 JK Annotated Clean COc1ccc(Br)cc1-c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 ZINC000587924242 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)CNC(=O)c4ccccc4)n3)c2C)c1 ZINC000587924250 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)CNC(=O)c4ccccc4)n3)c2C)c1 ZINC000587924251 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCN4C(=O)c5ccccc5C4=O)n3)c2C)c1 ZINC000587924262 JK Annotated Clean COc1ccccc1Oc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587924266 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(SC(C)(C)C)nc4)n3)c2C)c1 ZINC000587924269 JK Annotated Clean COc1ccc2cc(-c3nc(-c4cc(C)n(-c5cccc(SC)c5)c4C)cs3)ccc2c1 ZINC000587924271 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(NC(=O)C5CC5)c4)n3)c2C)c1 ZINC000587924272 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccc(Cl)cc4)n3)c2C)c1 ZINC000587924277 JK Annotated Clean CC[C@H](OC(=O)c1ccccc1)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 ZINC000587924278 JK Annotated Clean CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 ZINC000587924279 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Br)cc4)n3)c2C)c1 ZINC000587924285 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4nccn4Cc4ccccc4)n3)c2C)c1 ZINC000587924297 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4c5ccccc5cc5ccccc45)n3)c2C)c1 ZINC000587924298 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/c4ccc(O)c(O)c4)n3)c2C)c1 ZINC000587924299 JK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C\c4ccc(O)c(O)c4)n3)c2C)c1 ZINC000587924300 JK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(-c5ccccc5)cc4)n3)c2C)c1 ZINC000587924305 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OCCN(C)C)cc4)n3)c2C)c1 ZINC000587924306 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCCNC(=O)OC(C)(C)C)n3)c2C)c1 ZINC000587924311 JK Annotated Clean COc1ccc(Br)c(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 ZINC000587924315 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ncc(C(F)(F)F)cc4Cl)n3)c2C)c1 ZINC000587924316 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCCN4C(=O)c5ccccc5C4=O)n3)c2C)c1 ZINC000587924321 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCn4nc(C)cc4C(F)(F)F)n3)c2C)c1 ZINC000587924331 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(N)=S)c5ccccc45)n3)c2C)c1 ZINC000587924373 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccc(C)cc4C)n3)c2C)c1 ZINC000587924384 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccccc4Br)n3)c2C)c1 ZINC000587924385 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(OC(F)(F)F)cc4)n3)c2C)c1 ZINC000587924387 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)CN(C)C(=O)c4ccccc4)n3)c2C)c1 ZINC000587924391 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)CN(C)C(=O)c4ccccc4)n3)c2C)c1 ZINC000587924392 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(C(C)(C)C)cc4)n3)c2C)c1 ZINC000587924393 JK Annotated Clean CS(=O)(=O)Nc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 ZINC000587924402 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4S(=O)(=O)N(C)C)n3)c2C)c1 ZINC000587924403 JK Annotated Clean CCOC(=O)COc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924409 JK Annotated Clean CCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OCC ZINC000587924412 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4cccc(C(F)(F)F)c4)n3)c2C)c1 ZINC000587924414 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4c(N5CCCC5)nnc(C)c4C)n3)c2C)c1 ZINC000587924415 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(SC(C)(C)C)cc4)n3)c2C)c1 ZINC000587924424 JK Annotated Clean CN(C)c1cccc(Oc2ccc(-c3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)cc2)c1 ZINC000587924444 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(/C(=C/c4ccccc4O)C(N)=O)n3)c2C)c1 ZINC000587924453 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(=C\c4ccccc4O)C(N)=O)n3)c2C)c1 ZINC000587924454 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Br)cc4C)n3)c2C)c1 ZINC000587924456 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(F)(F)F)cc4)n3)c2C)c1 ZINC000587924460 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(S(C)(=O)=O)cc4)n3)c2C)c1 ZINC000587924462 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCn4cnc5cc(C)c(C)cc54)n3)c2C)c1 ZINC000587924467 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C(c4ccccc4)c4ccccc4)n3)c2C)c1 ZINC000587924470 JK Annotated Clean COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(SC)cc3)cs2)cc1 ZINC000587924496 JK Annotated Anodyne COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(SC)cc3)cs2)cc1 ZINC000587924497 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)c2C)c1 ZINC000587924517 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)c2C)c1 ZINC000587924518 JK Annotated Clean COC(=O)c1ccc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)c(O[C@H]2CCOC2)c1 ZINC000587924529 JK Annotated Clean COC(=O)c1ccc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)c(O[C@@H]2CCOC2)c1 ZINC000587924530 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)c2C)c1 ZINC000587924560 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)c2C)c1 ZINC000587924647 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCN(C(=O)OC(C)(C)C)C4)n3)c2C)c1 ZINC000587924648 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5[nH]c(-c6cccs6)nc5c4)n3)c2C)c1 ZINC000587924650 JK Annotated Clean COc1ccc(CCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587924698 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2cc1Br ZINC000587924751 JK Annotated Mild CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CN(Cc5ccccc5)CCO4)n3)c2C)c1 ZINC000587924786 JK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CN(Cc5ccccc5)CCO4)n3)c2C)c1 ZINC000587924787 JK Annotated Clean CSc1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1 ZINC000587924796 JK Annotated Reactive CSc1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1 ZINC000587924797 JK Annotated Reactive COC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(O[C@H]2CCOC2)c1 ZINC000587924802 JK Annotated Clean COC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(O[C@@H]2CCOC2)c1 ZINC000587924803 JK Annotated Clean CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587924853 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587924929 JK Annotated Clean COc1ccc(CCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587924956 JK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cccc(-c3cccc(OC)c3)c2)c1OCC ZINC000587925072 JK Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)=C1CC ZINC000587925098 JK Annotated Clean C/C=C1\NNC(=O)C(c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)=C1CC ZINC000587925104 JK Annotated Clean COc1ccc(CCCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587925217 JK Annotated Anodyne CSc1ccc(-c2csc([C@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587925305 JK Annotated Anodyne CSc1ccc(-c2csc([C@@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587925307 JK Annotated Anodyne COc1cc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)ccc1C ZINC000587925324 JK Annotated Anodyne COc1cc(C)ccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587925371 JK Annotated Bother COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000587925390 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587925450 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587925453 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587925532 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587925533 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(O)c2)cc1OC ZINC000587925534 JK Annotated Bother CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587925605 JK Annotated Anodyne COc1ccc(CCCc2nc3c(Br)ccc(Br)c3[nH]2)cc1OC ZINC000587925626 JK Annotated Anodyne CSc1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587925638 JK Annotated Anodyne CSc1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587925645 JK Annotated Anodyne COC(=O)c1ccc(-n2c(-c3ccc(OC)cc3)cc3c2CC(C)(C)CC3=O)c(O[C@H]2CCOC2)c1 ZINC000587925658 JK Annotated Clean COC(=O)c1ccc(-n2c(-c3ccc(OC)cc3)cc3c2CC(C)(C)CC3=O)c(O[C@@H]2CCOC2)c1 ZINC000587925660 JK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(O)c2)cc1OC ZINC000587925726 JK Annotated Anodyne COc1ccc(CCCc2nc3cc(Br)c(Br)cc3[nH]2)cc1OC ZINC000587925795 JK Annotated Anodyne COc1cc(C2(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CC2)ccc1C ZINC000587925858 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(O)c2)cc1OC ZINC000587925862 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(O)c2)cc1OC ZINC000587925880 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Nc5nc(C)cs5)cc4)n3)c2C)c1 ZINC000587925883 JK Annotated Clean COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1OC ZINC000587925904 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c(O)c2)cc1OC ZINC000587925946 JK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587926094 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587926096 JK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(OC)c(Br)c4)c3O)c2)c1 ZINC000587926107 JK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000587926236 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000587926237 JK Annotated Anodyne COc1ccc(CCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587926277 JK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc(-c5ccc(C)cc5)cs4)n3)c2C)c1 ZINC000587926441 JK Annotated Clean COc1ccc(-c2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(O)c2)cc1OC ZINC000587926487 JK Annotated Clean COc1ccc(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(O)c2)cc1OC ZINC000587926567 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587926579 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587926580 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(O)c2)cc1OC ZINC000587926595 JK Annotated Bother COc1ccc(C[C@H](C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587926638 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587926641 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(O)c2)cc1OC ZINC000587926666 JK Annotated Reactive COc1ccc(C[C@H](C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1OC ZINC000587926721 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1OC ZINC000587926722 JK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cccc(-c3cccc(OC)c3)c2)c1OCC ZINC000587926808 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926818 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587926857 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587926858 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587926883 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587926947 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587926956 JK Annotated Anodyne CCCOc1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cc1Br ZINC000587926995 JK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1OC ZINC000587927030 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1OC ZINC000587927032 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587927041 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587927043 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(c6ccc(C)c(OC)c6)CC5)[nH]c4c3)o2)cc1 ZINC000587927096 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(O)c2)cc1OC ZINC000587927184 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(I)cc4[nH]3)c(O)c2)cc1OC ZINC000587927215 JK Annotated Anodyne COc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587927339 JK Annotated Reactive COc1ccc(C[C@H](C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587927370 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587927372 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587927391 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587927392 JK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1OC ZINC000587927469 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1OC ZINC000587927471 JK Annotated Anodyne COc1cc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1C ZINC000587927516 JK Annotated Reactive COc1ccc(-c2cc(O)n(-c3ccc(O)c(-c4ccccc4)c3)c2O)cc1Br ZINC000587927520 JK Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1OC ZINC000587927542 JK Annotated Reactive COc1ccc(-c2ccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c(O)c2)cc1OC ZINC000587927606 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587927609 JK Annotated Mild COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(O)c2)cc1OC ZINC000587927630 JK Annotated Anodyne COc1cc(C2(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CC2)ccc1C ZINC000587927652 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927671 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927672 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587927705 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587927708 JK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587927713 JK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587927714 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cccc(-c4cccc(OC)c4)c2)CC(C)(C)CC3=O)cc1 ZINC000587927823 JK Annotated Clean CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587927867 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587927869 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587927923 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)cc1OC ZINC000587928024 JK Annotated Bother CCCCOc1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cc1Br ZINC000587928030 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587928036 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587928115 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587928119 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(O)c2)cc1OC ZINC000587928142 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(O)c2)cc1OC ZINC000587928162 JK Annotated Anodyne COc1ccc(CCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(OC)c1 ZINC000587928284 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2C)c(OC)c1 ZINC000587928319 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)cc1OC ZINC000587928333 JK Annotated Anodyne COc1ccc(CCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(OC)c1 ZINC000587928356 JK Annotated Anodyne CCCCCOc1cc2nc(CCCc3ccc(OC)cc3OC)[nH]c2cc1Br ZINC000587928385 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2C)c(OC)c1 ZINC000587928415 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587928420 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2C)c(OC)c1 ZINC000587928438 JK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2cc1Br ZINC000587928454 JK Annotated Anodyne COc1ccc(CCCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(OC)c1 ZINC000587928547 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccc(OC)cc4OC)c3C)nc2c1 ZINC000587928599 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2C)c(OC)c1 ZINC000587928608 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2C)c(OC)c1 ZINC000587928610 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928633 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928635 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928637 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928639 JK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2C)c(OC)c1 ZINC000587928642 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2C)c(OC)c1 ZINC000587928661 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2C)c(OC)c1 ZINC000587928686 JK Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(OC)c1 ZINC000587928787 JK Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(OC)c1 ZINC000587928791 JK Annotated Anodyne COc1ccc(CCCc2nc3cc(Br)c(Br)cc3[nH]2)c(OC)c1 ZINC000587928793 JK Annotated Anodyne COc1ccc(CCCc2nc3c(Br)ccc(Br)c3[nH]2)c(OC)c1 ZINC000587928805 JK Annotated Anodyne COC(=O)c1cc2nc(CCCc3ccc(OC)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587928847 JK Annotated Anodyne COc1ccc(/C=C/Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(OC)c1 ZINC000587928913 JK Annotated Anodyne COc1ccc(/C=C\Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(OC)c1 ZINC000587928916 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2C)c(OC)c1 ZINC000587929048 JK Annotated Clean COc1ccc(CCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(OC)c1 ZINC000587929063 JK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587929189 JK Annotated Reactive COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587929190 JK Annotated Reactive COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587929191 JK Annotated Reactive COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587929192 JK Annotated Reactive COc1ccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2C)c(OC)c1 ZINC000587929298 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2C)c(OC)c1 ZINC000587929309 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1OC ZINC000587929605 JK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1OC ZINC000587929608 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2C)c(OC)c1 ZINC000587929640 JK Annotated Bother COc1ccc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2C)c(OC)c1 ZINC000587929681 JK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccc(OC)cc4OC)c3C)nc2c1 ZINC000587929685 JK Annotated Anodyne COc1ccc(/C=C/Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(OC)c1 ZINC000587929689 JK Annotated Anodyne COc1ccc(/C=C\Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(OC)c1 ZINC000587929691 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2C)c(OC)c1 ZINC000587929722 JK Annotated Reactive COc1ccc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2C)c(OC)c1 ZINC000587929728 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587929755 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(F)c(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929843 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(OC(C)C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929851 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)OCCO5)CCCC(C)(C)[C@@H]1CC2 ZINC000587929854 JK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587929885 JK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587929888 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)cc(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929889 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)c(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929930 JK Annotated Anodyne CCOC(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587929937 JK Annotated Anodyne COc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1Cl ZINC000587929938 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929939 JK Annotated Anodyne COc1cccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CCCC2)c1 ZINC000587929961 JK Annotated Anodyne COc1cccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587929975 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(C)=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930006 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930012 JK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587930089 JK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587930091 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930138 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(F)cnc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930159 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930181 JK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587930195 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)cc(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930196 JK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587930198 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2C)c(OC)c1 ZINC000587930221 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2C)c(OC)c1 ZINC000587930254 JK Annotated Anodyne COC(=O)c1cc2nc(C/C=C/c3ccc(OC)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587930322 JK Annotated Anodyne COC(=O)c1cc2nc(C/C=C\c3ccc(OC)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587930324 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930379 JK Annotated Anodyne COC(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2n1 ZINC000587930386 JK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587930387 JK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587930388 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587930413 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cc(O)cc(OC)c4)c3)nc2c1 ZINC000587930442 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(-n5cnnn5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930460 JK Annotated Anodyne COc1cccc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CCCC2)c1 ZINC000587930536 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc5ncccc5c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930538 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587930563 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587930565 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1 ZINC000587930591 JK Annotated Anodyne COc1cccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587930627 JK Annotated Reactive COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)c(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930628 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(O)nc(S)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930629 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2C)c(OC)c1 ZINC000587930673 JK Annotated Anodyne COc1cccc(C2(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CCCC2)c1 ZINC000587930708 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2C)c(OC)c1 ZINC000587930722 JK Annotated Anodyne COC(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587930732 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)nc(C#N)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930750 JK Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930784 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CCCC(C)(C)[C@@H]1CC2 ZINC000587930801 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(N)=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930826 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2C)c(OC)c1 ZINC000587930878 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Cl)ccnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930880 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(C)cnc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930939 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930944 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2C)c(OC)c1 ZINC000587930952 JK Annotated Anodyne COc1cccc(C2(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CCCC2)c1 ZINC000587931103 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587931118 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931166 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2cc1Br ZINC000587931194 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587931203 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2cc1Br ZINC000587931291 JK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2cc1Br ZINC000587931300 JK Annotated Mild COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587931329 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc([N+](=O)[O-])c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931443 JK Annotated Bother CCCCOc1cc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2cc1Br ZINC000587931454 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931465 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(C)(C)C)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931478 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587931482 JK Annotated Anodyne COC(=O)c1cccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c12 ZINC000587931484 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)nc12 ZINC000587931490 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccnc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931497 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cnc(Cl)[nH]c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931502 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587931514 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931519 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)nc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931533 JK Annotated Anodyne CCCOc1cc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587931537 JK Annotated Anodyne CCCOc1cc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587931538 JK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587931559 JK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587931561 JK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587931563 JK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587931566 JK Annotated Anodyne C=CCc1cccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c12 ZINC000587931567 JK Annotated Mild COc1cccc(-c2cc(O)cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587931577 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931586 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587931608 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587931609 JK Annotated Anodyne COc1cccc(C2(c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)CCCC2)c1 ZINC000587931623 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(c5cccc(OC)c5)CCCC4)[nH]c3c2)cc1 ZINC000587931625 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587931633 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587931635 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C#N)cc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931650 JK Annotated Mild CCCCCOc1cc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587931653 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@]5(C)c5ccccc5OC)[nH]c4c3)o2)cc1 ZINC000587931664 JK Annotated Anodyne CCCOc1cc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587931665 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@]5(C)c5ccccc5OC)[nH]c4c3)o2)cc1 ZINC000587931666 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587931668 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@]5(C)c5ccccc5OC)[nH]c4c3)o2)cc1 ZINC000587931670 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@]5(C)c5ccccc5OC)[nH]c4c3)o2)cc1 ZINC000587931673 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587931701 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587931702 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(CCO)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931705 JK Annotated Anodyne COc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1C ZINC000587931735 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931739 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Cl)c(Cl)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931763 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C(C)(C)C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931772 JK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Br ZINC000587931780 JK Annotated Mild COc1cccc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587931900 JK Annotated Anodyne COc1cccc(C2(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587931953 JK Annotated Anodyne COc1cccc(C2(c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587932036 JK Annotated Anodyne COc1cccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCCC2)c1 ZINC000587932039 JK Annotated Reactive COC(=O)c1cc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587932046 JK Annotated Anodyne CCCCCOc1cc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2cc1Br ZINC000587932056 JK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2cc1Br ZINC000587932103 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587932109 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932137 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cc(O)cc(OC)c4)c3)nc2c1 ZINC000587932144 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932158 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587932169 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CCCC(C)(C)[C@@H]1CC2 ZINC000587932184 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)cc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932320 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932330 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932332 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5ccccc5cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932352 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000587932408 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587932423 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(O)cc(-c4cccc(OC)c4)c3)nc2c1 ZINC000587932426 JK Annotated Anodyne CCCCOc1cc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587932433 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccnc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932467 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2cc1Br ZINC000587932481 JK Annotated Mild COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587932490 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587932494 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3cccc(OC)c3)[nH]c2cc1Br ZINC000587932510 JK Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Cl)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932512 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587932514 JK Annotated Anodyne COc1cccc(C2(c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)CCCC2)c1 ZINC000587932519 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)cc(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932535 JK Annotated Anodyne COc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1F ZINC000587932551 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932568 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)OCCCO5)CCCC(C)(C)[C@@H]1CC2 ZINC000587932575 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)NN)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932578 JK Annotated Reactive COc1cccc(C2(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CCCC2)c1 ZINC000587932582 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Cl)cnc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932589 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587932590 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587932599 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587932601 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Br)ccnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932614 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(F)c(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932626 JK Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587932704 JK Annotated Reactive COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc5c(c4[nH]3)CCCC5)CCCC(C)(C)[C@@H]1CC2 ZINC000587932730 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CCCC(C)(C)[C@@H]1CC2 ZINC000587932731 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587932764 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(S)nc(S)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932790 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587932804 JK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2cc1Br ZINC000587932820 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932835 JK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)ncc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932857 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=N)N)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932861 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932883 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587932921 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587932929 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)c(Cl)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932930 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)ncc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932943 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587932945 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncc([N+](=O)[O-])c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932947 JK Annotated Bother COc1cc(O)cc(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587932961 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932965 JK Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587933018 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587933019 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933020 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c1 ZINC000587933071 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c1 ZINC000587933072 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc5nc(C)ccc5c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933094 JK Annotated Anodyne COc1cccc(C2(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CCCC2)c1 ZINC000587933131 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587933136 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587933138 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933147 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933148 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933160 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933163 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Cl)c(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933177 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933184 JK Annotated Bother COc1cc(OC)c2[nH]c([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)nc2c1 ZINC000587933187 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)c(F)c(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933204 JK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587933224 JK Annotated Reactive COc1cccc([C@H](C)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587933225 JK Annotated Reactive COC(=O)c1cc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587933231 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5cn[nH]c5cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933236 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cnc5ccccc5c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933254 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(SC)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933256 JK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587933277 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(C)(=O)=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933282 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933283 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C(=O)O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933285 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)ncc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933289 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933311 JK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Cl)ncnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933322 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933330 JK Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587933343 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587933345 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587933353 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)cc(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933370 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933401 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587933402 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587933406 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C#N)c(C#N)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933417 JK Annotated Mild COc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1OC ZINC000587933465 JK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587933471 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccccc3)c3ccc(OC)cc3)nc2c1 ZINC000587933484 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](c3ccccc3)c3ccc(OC)cc3)nc2c1 ZINC000587933485 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587933494 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587933496 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587933508 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587933509 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4nc(Br)c[nH]c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933514 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933520 JK Annotated Anodyne COC(=O)c1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cn1 ZINC000587933525 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933533 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(C)(C)C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933535 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)OCO5)CCCC(C)(C)[C@@H]1CC2 ZINC000587933537 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933541 JK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587933544 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933546 JK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4nc(Cl)c[nH]c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933550 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587933556 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(O)cc(-c4cccc(OC)c4)c3)nc2c1 ZINC000587933558 JK Annotated Anodyne COc1cccc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CCCC2)c1 ZINC000587933561 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587933581 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587933582 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587933623 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587933645 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587933662 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587933794 JK Annotated Anodyne CCCCOc1cc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587933800 JK Annotated Anodyne CCCCOc1cc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587933801 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(c6cccc(OC)c6)CCCC5)[nH]c4c3)o2)cc1 ZINC000587933824 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587933828 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587933838 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587933844 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587933845 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587933876 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587933884 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587933885 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccccc3)c3ccc(OC)cc3)nc2c1 ZINC000587933895 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](c3ccccc3)c3ccc(OC)cc3)nc2c1 ZINC000587933896 JK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587933910 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)ccc2c1 ZINC000587933972 JK Annotated Anodyne COC(=O)c1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587933979 JK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587933992 JK Annotated Anodyne CCCCOc1cc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2cc1Br ZINC000587934018 JK Annotated Anodyne COc1ccc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934050 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1c(N)cccc1Br ZINC000587934085 JK Annotated Clean CCCCCCCCOc1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934092 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934096 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934097 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934099 JK Annotated Mild CCCCCOc1cc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2cc1Br ZINC000587934158 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(Br)cc3)c2O)cn1 ZINC000587934187 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(CCC(=O)O)ccc2-c2ccccc2)cn1 ZINC000587934202 JK Annotated Clean N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587934212 JK Annotated Mild Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2OCCCc2ccccc2)cn1 ZINC000587934213 JK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587934235 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)ccc2c1 ZINC000587934237 JK Annotated Anodyne CCCCCCCCOc1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2cc1Br ZINC000587934246 JK Annotated Mild COc1ccc2cc([C@@H](C)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)ccc2c1 ZINC000587934248 JK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587934325 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934356 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)cn1 ZINC000587934418 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(CCC(=O)O)ccc2-c2cccs2)cn1 ZINC000587934424 JK Annotated Clean Cn1cc(-c2cccc(Br)c2-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cn1 ZINC000587934437 JK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934490 JK Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587934491 JK Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934505 JK Annotated Clean Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3cccc(Br)c3)c2O)cn1 ZINC000587934519 JK Annotated Anodyne COc1cccc(-c2cc(O)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2O)c1 ZINC000587934522 JK Annotated Mild Cn1cc(-c2cccc(Br)c2-n2c(-c3cccs3)ccc2-c2cccs2)cn1 ZINC000587934523 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000587934526 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587934556 JK Annotated Anodyne CCOC(=O)c1cc(C)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1C ZINC000587934560 JK Annotated Mild Cn1cc(-c2cccc(Br)c2-n2c(-c3ccccc3)ccc2-c2ccccc2)cn1 ZINC000587934585 JK Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934596 JK Annotated Mild COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587934652 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CC5=CCCc6cc(OC)ccc65)[nH]c4c3)o2)cc1 ZINC000587934693 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(OC)cc4)CC4(CCC4)C3)nc2c1 ZINC000587934699 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(OC)cc4)CC4(CCC4)C3)nc2c1 ZINC000587934700 JK Annotated Anodyne CCCCCOc1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2cc1Br ZINC000587934724 JK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587934730 JK Annotated Reactive COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587934800 JK Annotated Reactive COc1ccc([C@@H](O)[C@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587934803 JK Annotated Reactive COc1ccc([C@H](O)[C@@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587934804 JK Annotated Reactive COc1ccc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934846 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccccc3Br)c2O)cn1 ZINC000587934851 JK Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587934857 JK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000587934861 JK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)ccc1OCc1ccccc1 ZINC000587934864 JK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587934912 JK Annotated Mild CSc1ccc(-c2ccc(C)n2-c2c(Br)cc(Br)c(Cl)c2C#N)cc1 ZINC000587934919 JK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(Cc2ccccc2)c1O ZINC000587934928 JK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc(N)cc2)c1O ZINC000587935002 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C5(c6ccc(OC)cc6)CC6(CCC6)C5)[nH]c4c3)o2)cc1 ZINC000587935004 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2c(Br)cccc2-c2cnn(C)c2)CC(C)(C)CC3=O)cc1 ZINC000587935008 JK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c(Br)cccc2-c2cnn(C)c2)s1 ZINC000587935011 JK Annotated Clean COc1ccccc1-c1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587935068 JK Annotated Mild CCCCc1ccc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c(Br)c1 ZINC000587935089 JK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587935093 JK Annotated Reactive N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)ccc1OCCc1ccccc1 ZINC000587935114 JK Annotated Mild CCCCOc1ccc(OCCCC)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587935144 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccc(Cl)cc4Cl)c3O)cc2Br)CC1 ZINC000587935151 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(Cl)cc2)c1O ZINC000587935154 JK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)cc1 ZINC000587935183 JK Annotated Clean COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587935192 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935223 JK Annotated Anodyne COC(=O)c1cc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(Cl)cc1Br ZINC000587935257 JK Annotated Clean CCCCCCCCOc1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br ZINC000587935264 JK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br ZINC000587935265 JK Annotated Mild COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587935266 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935311 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587935314 JK Annotated Mild CC(C)c1ccc(-c2cc(O)n(-c3ccc(N4CCN(C)CC4)c(Br)c3)c2O)cc1 ZINC000587935340 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(OC(C)(C)C)cc(Cc4ccccc4)c3O)cc2Br)CC1 ZINC000587935355 JK Annotated Anodyne COC(=O)c1cc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(Cl)cc1Br ZINC000587935388 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(OC)cc(-c2ccccc2)c1OC ZINC000587935392 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4c(Br)cnc(Br)c4[nH]3)ccc2c1 ZINC000587935421 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)ccc2c1 ZINC000587935444 JK Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Cl)cc1Br ZINC000587935477 JK Annotated Anodyne COC(=O)c1cc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(Cl)cc1Br ZINC000587935484 JK Annotated Clean COc1ccc(C2(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935537 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935545 JK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(C2CCCCC2)c1O ZINC000587935548 JK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587935549 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cccc(Br)c2[N+](=O)[O-])CC(C)(C)CC3=O)cc1 ZINC000587935558 JK Annotated Clean CC(C)Oc1ccc(OC(C)C)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935560 JK Annotated Mild CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1c(N)cccc1Br ZINC000587935590 JK Annotated Anodyne O=[N+]([O-])c1c(Br)cccc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587935606 JK Annotated Bother CC(C)c1cc(OC(C)(C)C)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587935616 JK Annotated Mild Cc1ccc(-c2cc(O)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2O)cc1 ZINC000587935621 JK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccccc2)c1O ZINC000587935642 JK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccco2)c1O ZINC000587935644 JK Annotated Mild Cc1cc2c(n1-c1c(Br)cc(Br)c(Cl)c1C#N)CC(C)(C)CC2=O ZINC000587935653 JK Annotated Mild CC(C)c1ccc(-c2cc(O)n(-c3c(Br)cccc3-c3cnn(C)c3)c2O)cc1 ZINC000587935660 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587935706 JK Annotated Bother CCCNc1cc(OCC)c(Br)cc1-n1c(OC(C)(C)C)cc(C(C)C)c1O ZINC000587935779 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)ccc2c1 ZINC000587935790 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)cn1 ZINC000587935799 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)ccc2c1 ZINC000587935859 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4c(I)cnc(Cl)c4[nH]3)ccc2c1 ZINC000587935914 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)cn1 ZINC000587935926 JK Annotated Anodyne COC(=O)c1cc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(Cl)cc1Br ZINC000587935951 JK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccc5cc(OC)ccc5c4)[nH]c3c2)cc1 ZINC000587935963 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)ccc2c1 ZINC000587935967 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(CCC(=O)O)ccc1-c1ccccc1 ZINC000587935973 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O ZINC000587935982 JK Annotated Anodyne CCCCc1ccc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)c(Br)c1 ZINC000587935992 JK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)s1 ZINC000587936041 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccccc2Cl)c1O ZINC000587936047 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc4cc(OC)ccc4c3)nc2c1 ZINC000587936053 JK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000587936057 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc(CC(C)=O)c1OCC ZINC000587936064 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(OC(C)(C)C)cc(-c4ccccc4)c3O)cc2Br)CC1 ZINC000587936074 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(-c4cccs4)ccc3-c3cccs3)cc2Br)CC1 ZINC000587936091 JK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(Cc3cccc4ccccc34)c2OC)c(Br)c1 ZINC000587936115 JK Annotated Anodyne CCCCc1ccc(-n2c(-c3ccc(OC)cc3)cc3c2CC(C)(C)CC3=O)c(Br)c1 ZINC000587936118 JK Annotated Clean CCCCc1ccc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c(Br)c1 ZINC000587936167 JK Annotated Anodyne COC(=O)c1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(Cl)cc1Br ZINC000587936188 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936208 JK Annotated Anodyne COc1ccc(C2(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936209 JK Annotated Anodyne COC(=O)c1cc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)c(Cl)cc1Br ZINC000587936211 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1c(N)cccc1Br ZINC000587936223 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936295 JK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c(Cl)cc1Br ZINC000587936343 JK Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936365 JK Annotated Mild COC(=O)c1cc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)c(Cl)cc1Br ZINC000587936379 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2O)cc1 ZINC000587936420 JK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587936494 JK Annotated Mild COc1ccc(-c2ccc(CCC(=O)O)n2-c2c(Br)cccc2-c2cnn(C)c2)cc1 ZINC000587936506 JK Annotated Clean Cc1ccccc1-c1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587936527 JK Annotated Mild COc1c(Cc2ccccc2)cc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936536 JK Annotated Mild Cn1cc(-c2cccc(Br)c2-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)cn1 ZINC000587936551 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Br)c1N ZINC000587936566 JK Annotated Clean CCOc1cc(C(C)=O)c(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936575 JK Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2cccc(OC)c2)c1O ZINC000587936585 JK Annotated Anodyne COC(=O)c1cc(-n2c(CCC(=O)O)ccc2-c2ccc(C)s2)c(Cl)cc1Br ZINC000587936615 JK Annotated Clean COc1ccc2cc([C@@H](C)c3nc4c(Br)ccc(Br)c4[nH]3)ccc2c1 ZINC000587936649 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)cn1 ZINC000587936666 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)ccc2c1 ZINC000587936670 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)cn1 ZINC000587936671 JK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)c(Br)c1 ZINC000587936703 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000587936705 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(OC(C)C)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936706 JK Annotated Anodyne COC(=O)c1cc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)c(Cl)cc1Br ZINC000587936758 JK Annotated Clean COc1ccc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587936760 JK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)cn1 ZINC000587936771 JK Annotated Clean COC(=O)c1cc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c(Cl)cc1Br ZINC000587936800 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936858 JK Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936862 JK Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc(C(C)=O)c1OCC ZINC000587936901 JK Annotated Anodyne CCCCc1ccc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)c(Br)c1 ZINC000587936914 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587936916 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(C)ccc1-c1ccc(SC)cc1 ZINC000587936929 JK Annotated Clean COC(=O)c1cc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)c(Cl)cc1Br ZINC000587936937 JK Annotated Anodyne CCCCc1ccc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)c(Br)c1 ZINC000587936944 JK Annotated Anodyne CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)c(Br)c1 ZINC000587936957 JK Annotated Clean C=CCOc1c(-c2ccccc2)cc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936982 JK Annotated Mild CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587936983 JK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587937006 JK Annotated Mild COC(=O)c1cc(-n2c(O)ccc2OCCc2ccccc2)c(Cl)cc1Br ZINC000587937045 JK Annotated Anodyne COC(=O)c1cc(-n2c(OC)cc(-c3ccccc3)c2OC)c(Cl)cc1Br ZINC000587937080 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937081 JK Annotated Mild COC(=O)c1cc(-n2c(O)cc(-c3ccc(C(C)C)cc3)c2O)c(Cl)cc1Br ZINC000587937114 JK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c(Cl)cc1Br ZINC000587937258 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc(C(=O)OCC)c1OCC ZINC000587937289 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587937293 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587937298 JK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)c(Cl)cc1Br ZINC000587937334 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4c(Cl)cccc4Cl)c3O)cc2Br)CC1 ZINC000587937359 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(OC)cc2)c1O ZINC000587937365 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2Br)CC1 ZINC000587937370 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937390 JK Annotated Bother CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(Br)c1N ZINC000587937396 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OCCCc1ccccc1 ZINC000587937402 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cccc(Br)c1N ZINC000587937414 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccccc2OC)c1O ZINC000587937417 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cccc(-c4cccc(C(=O)O)n4)c3)c2O)cc1Br ZINC000587937438 JK Annotated Anodyne O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4cccc(Br)c4)c3O)c2)n1 ZINC000587937441 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937470 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(C)ccc1-c1ccc(S(C)(=O)=O)cc1 ZINC000587937471 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(Cc2ccccc2)c1OC ZINC000587937513 JK Annotated Anodyne CCCCc1ccc(-n2c(OCC)cc(C(=O)OC(C)(C)C)c2OC(C)(C)C)c(Br)c1 ZINC000587937514 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587937574 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cccc(Br)c2[N+](=O)[O-])CC(C)(C)CC3=O)cc1 ZINC000587937669 JK Annotated Clean CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cccc(Br)c3[N+](=O)[O-])c2C1 ZINC000587937680 JK Annotated Clean CCCCOc1ccc(OCCCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937681 JK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(Cl)cc1Br ZINC000587937718 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000587937734 JK Annotated Bother CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(C(C)C)cc2)c1O ZINC000587937741 JK Annotated Anodyne COC(=O)c1cc(-n2c(-c3cccs3)ccc2-c2cccs2)c(Cl)cc1Br ZINC000587937742 JK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccccc3Cl)c2O)c(Cl)cc1Br ZINC000587937758 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OC(C)(C)C)cc(-c2ccccc2)c1O ZINC000587937769 JK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)cc1 ZINC000587937775 JK Annotated Clean COC(=O)c1cc(-n2c(O)ccc2OCCCc2ccccc2)c(Cl)cc1Br ZINC000587937792 JK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587937871 JK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587937872 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc([C@H](C)[N+](=O)[O-])c1OCC ZINC000587937877 JK Annotated Bother CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc([C@@H](C)[N+](=O)[O-])c1OCC ZINC000587937904 JK Annotated Bother COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587937913 JK Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccc(C(C)(C)C)cc4)c3O)cc2Br)CC1 ZINC000587937917 JK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)c(Br)c1 ZINC000587937919 JK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(CCC(=O)O)ccc1-c1ccc(C)s1 ZINC000587937924 JK Annotated Clean COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587937927 JK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587937976 JK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587937978 JK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587937980 JK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587937981 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587937991 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OCCc1ccccc1 ZINC000587938065 JK Annotated Anodyne COC(=O)c1cc(-n2c(C)ccc2-c2ccc(SC)cc2)c(Cl)cc1Br ZINC000587938066 JK Annotated Clean CCCCc1ccc(-n2c(O)cc(-c3cccc(Br)c3)c2O)c(Br)c1 ZINC000587938069 JK Annotated Anodyne CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(Br)c1 ZINC000587938080 JK Annotated Clean CCCCc1ccc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(Br)c1 ZINC000587938085 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(CCC(=O)O)ccc1-c1cccs1 ZINC000587938097 JK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2cccc(Cl)c2)c1O ZINC000587938100 JK Annotated Anodyne COc1ccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938147 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938159 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938189 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](c4ccccc4)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587938190 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](c4ccccc4)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587938192 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cccc(-c4cccc(C(=O)O)n4)c3)c2C1 ZINC000587938231 JK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)[C@H](O)c5ccc(OC)cc5)[nH]c4c3)o2)cc1 ZINC000587938378 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)[C@@H](O)c5ccc(OC)cc5)[nH]c4c3)o2)cc1 ZINC000587938379 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)[C@@H](O)c5ccc(OC)cc5)[nH]c4c3)o2)cc1 ZINC000587938380 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)[C@H](O)c5ccc(OC)cc5)[nH]c4c3)o2)cc1 ZINC000587938381 JK Annotated Anodyne CCCOc1cc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2cc1Br ZINC000587938398 JK Annotated Anodyne O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4Br)c3O)c2)n1 ZINC000587938429 JK Annotated Anodyne COc1ccc(C2(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938583 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587938608 JK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938748 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587938781 JK Annotated Anodyne CN(C)[C@@H](Cn1c(-c2cccs2)ccc1-c1cccs1)c1cccc(Br)c1 ZINC000587938824 JK Annotated Anodyne CN(C)[C@H](Cn1c(-c2cccs2)ccc1-c1cccs1)c1cccc(Br)c1 ZINC000587938825 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2C[C@H](c2cccc(Br)c2)N(C)C)CC(C)(C)CC3=O)cc1 ZINC000587938850 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2C[C@@H](c2cccc(Br)c2)N(C)C)CC(C)(C)CC3=O)cc1 ZINC000587938851 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587938874 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cnc2cc(Br)ccc2c1 ZINC000587938985 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2nn(-c4ncccn4)cc2Br)CC(C)(C)CC3=O)cc1 ZINC000587939002 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1cc(Br)cnc1Br ZINC000587939004 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939005 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939006 JK Annotated Anodyne COc1ccc(-c2cc3c(n2C[C@H](c2cccc(Br)c2)N(C)C)CC(C)(C)CC3=O)cc1 ZINC000587939009 JK Annotated Anodyne COc1ccc(-c2cc3c(n2C[C@@H](c2cccc(Br)c2)N(C)C)CC(C)(C)CC3=O)cc1 ZINC000587939012 JK Annotated Anodyne Brc1cn(-c2ncccn2)nc1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587939018 JK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1cc(Br)cnc1Br ZINC000587939030 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cc(Br)cnc1Br ZINC000587939051 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939065 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587939108 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cc(Br)cnc1Br ZINC000587939112 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1cc2cnccc2c(Br)n1 ZINC000587939402 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2cccc(Br)c2)c1O)c1cccc(Br)c1 ZINC000587939434 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2cccc(Br)c2)c1O)c1cccc(Br)c1 ZINC000587939435 JK Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587939436 JK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587939438 JK Annotated Bother COc1cc(-c2ccccc2)c(OC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939478 JK Annotated Anodyne COc1cccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)c1 ZINC000587939489 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1cc(Cl)cc(Br)c1 ZINC000587939495 JK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939496 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 ZINC000587939497 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2c(Cl)cccc2Cl)c1O)c1cccc(Br)c1 ZINC000587939500 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939504 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 ZINC000587939511 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939523 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939538 JK Annotated Anodyne CCOc1cc(-n2c(O)cc(-c3ccccc3Br)c2O)c(Cl)cc1C(=O)O ZINC000587939540 JK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000587939541 JK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587939544 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1ccc(C)s1 ZINC000587939567 JK Annotated Clean Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc(Br)cnc1Br ZINC000587939575 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1cc(Br)cnc1Br ZINC000587939630 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(Br)cnc1Br ZINC000587939665 JK Annotated Anodyne CCOc1cc(-n2c(O)cc(Cc3cccc4ccccc34)c2OC)c(Cl)cc1C(=O)O ZINC000587939679 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939687 JK Annotated Clean Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939737 JK Annotated Anodyne Oc1ccc(OCCCc2ccccc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939751 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Br)cnc2Br)cc1 ZINC000587939752 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939761 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2c(Cl)cccc2Cl)c1O)c1cccc(Br)c1 ZINC000587939801 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939814 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccc(Br)cc2)c1O)c1cccc(Br)c1 ZINC000587939861 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccc(Br)cc2)c1O)c1cccc(Br)c1 ZINC000587939863 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccccc2Br)c1O)c1cccc(Br)c1 ZINC000587939866 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccccc2Br)c1O)c1cccc(Br)c1 ZINC000587939867 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc4cnccc4c(Br)n3)c2C1 ZINC000587939986 JK Annotated Clean CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(Cl)cc(Br)c1 ZINC000587940028 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(Cl)cc(Br)c3)c2O)cc1Br ZINC000587940038 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cc4cnccc4c(Br)n2)CC(C)(C)CC3=O)cc1 ZINC000587940071 JK Annotated Clean O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(Br)cnc1Br ZINC000587940096 JK Annotated Anodyne Cc1cc(OCCn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(C(C)C)cc1Cl ZINC000587940098 JK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1cccs1 ZINC000587940099 JK Annotated Clean CCOc1cc(-n2c(O)cc(-c3cccc(Br)c3)c2O)c(Cl)cc1C(=O)O ZINC000587940114 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O ZINC000587940134 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccnc(Br)c1 ZINC000587940136 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc(Br)cnc1Br ZINC000587940148 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccnc(Br)c1 ZINC000587940194 JK Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OCC ZINC000587940199 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940205 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587940212 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940214 JK Annotated Anodyne Clc1c(Cl)c(Cl)c(-n2c(-c3cccs3)ccc2-c2cccs2)c(Cl)c1Cl ZINC000587940255 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cnc4cc(Br)ccc4c2)CC(C)(C)CC3=O)cc1 ZINC000587940258 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1cc(Br)cnc1Br ZINC000587940268 JK Annotated Mild COc1ccc(-c2ccc(CCC(=O)O)n2C[C@H](c2cccc(Br)c2)N(C)C)cc1 ZINC000587940274 JK Annotated Clean COc1ccc(-c2ccc(CCC(=O)O)n2C[C@@H](c2cccc(Br)c2)N(C)C)cc1 ZINC000587940275 JK Annotated Clean Cc1cc(OCCn2c(O)cc(-c3cccc(Br)c3)c2O)c(C(C)C)cc1Cl ZINC000587940301 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587940334 JK Annotated Clean COc1cc(-c2ccccc2)c(OC)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940340 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Cl)c2Oc2ccccc2OC)cc1 ZINC000587940343 JK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587940354 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1NCc1ccccc1Br ZINC000587940402 JK Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587940408 JK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587940413 JK Annotated Bother Cc1cc(OCCn2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(C(C)C)cc1Cl ZINC000587940426 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O)c1cccc(Br)c1 ZINC000587940452 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O)c1cccc(Br)c1 ZINC000587940454 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587940472 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940542 JK Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587940549 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3nn(-c4ncccn4)cc3Br)c2C1 ZINC000587940590 JK Annotated Anodyne CN(C)[C@@H](Cn1c(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O)c1cccc(Br)c1 ZINC000587940617 JK Annotated Anodyne CN(C)[C@H](Cn1c(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O)c1cccc(Br)c1 ZINC000587940626 JK Annotated Anodyne Brc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)c(OCc2ccccc2)c1 ZINC000587940689 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1NCc1ccccc1Br ZINC000587940698 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cc(C(=O)O)ncc2Br)CC(C)(C)CC3=O)cc1 ZINC000587940711 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587940749 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cnc(C)c(Br)n1 ZINC000587940796 JK Annotated Anodyne Brc1cnc(Br)c(-n2c(-c3ccccc3)ccc2-c2ccccc2)c1 ZINC000587940843 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587940864 JK Annotated Anodyne CCOc1cc(-n2c(O)cc(-c3ccc(OC)c(Br)c3)c2O)c(Cl)cc1C(=O)O ZINC000587940867 JK Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC ZINC000587940875 JK Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587940882 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(OC(C)(C)C)cc(Cc2ccccc2)c1O ZINC000587940915 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940937 JK Annotated Mild O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(Br)cnc1Br ZINC000587940945 JK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940984 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)s1 ZINC000587941008 JK Annotated Clean Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941017 JK Annotated Anodyne Oc1ccc(OCCCc2ccccc2)n1-c1cc(Br)cnc1Br ZINC000587941042 JK Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941048 JK Annotated Anodyne Cc1cc(OCCn2c(O)cc(-c3ccc(Br)cc3)c2O)c(C(C)C)cc1Cl ZINC000587941098 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(Br)cnc3Br)c2C1 ZINC000587941100 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 ZINC000587941105 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941122 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(Cl)cc(Br)c1 ZINC000587941129 JK Annotated Anodyne Cc1cc(OCCn2c(O)cc(-c3ccccc3Br)c2O)c(C(C)C)cc1Cl ZINC000587941130 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O)c1cccc(Br)c1 ZINC000587941133 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O)c1cccc(Br)c1 ZINC000587941134 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 ZINC000587941150 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587941170 JK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2ccc(Br)cc2OCc2ccccc2)cc1 ZINC000587941180 JK Annotated Clean CN(C)[C@H](Cn1c(OCc2ccccc2)cc(-c2ccccc2)c1O)c1cccc(Br)c1 ZINC000587941184 JK Annotated Anodyne CN(C)[C@@H](Cn1c(OCc2ccccc2)cc(-c2ccccc2)c1O)c1cccc(Br)c1 ZINC000587941194 JK Annotated Anodyne Brc1cnc(Br)c(-n2c(-c3cccs3)ccc2-c2cccs2)c1 ZINC000587941211 JK Annotated Anodyne Cc1cc(OCCn2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c(C(C)C)cc1Cl ZINC000587941219 JK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccc(Cl)cc2Cl)c1O)c1cccc(Br)c1 ZINC000587941236 JK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccc(Cl)cc2Cl)c1O)c1cccc(Br)c1 ZINC000587941239 JK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(Cl)cc(Br)c2)c1OCC ZINC000587941250 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1Br ZINC000587941299 JK Annotated Anodyne Oc1cc(-c2ccc(F)cc2)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941301 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cnc3cc(Br)ccc3c2)cc1 ZINC000587941306 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cnc4cc(Br)ccc4c2)CC(C)(C)CC3=O)cc1 ZINC000587941324 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1cc(Br)cnc1Br ZINC000587941371 JK Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941380 JK Annotated Anodyne COc1cccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)c1 ZINC000587941404 JK Annotated Anodyne Cc1cc(OCCn2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)c(C(C)C)cc1Cl ZINC000587941407 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 ZINC000587941424 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cc(Br)cnc2Br)CC(C)(C)CC3=O)cc1 ZINC000587941427 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587941428 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1cc(Br)cnc1Br ZINC000587941440 JK Annotated Anodyne CCOc1cc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1C(=O)O ZINC000587941443 JK Annotated Clean Cc1cc(OCCn2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c(C(C)C)cc1Cl ZINC000587941457 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cc(C(=O)O)ncc2Br)CC(C)(C)CC3=O)cc1 ZINC000587941464 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(Cc2cccc3ccccc23)c1OC ZINC000587941467 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941515 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587941521 JK Annotated Anodyne CCOc1cc(-n2c(-c3ccc(OC)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1C(=O)O ZINC000587941603 JK Annotated Clean CC(C)c1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 ZINC000587941628 JK Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 ZINC000587941636 JK Annotated Anodyne Oc1ccc(OCCc2ccccc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941672 JK Annotated Anodyne CCOc1cc(-n2c(OCC)cc(C(=O)OC(C)(C)C)c2OC(C)(C)C)c(Cl)cc1C(=O)O ZINC000587941718 JK Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941720 JK Annotated Anodyne COc1ccc(-c2cc(O)n(CCOc3cc(C)c(Cl)cc3C(C)C)c2O)cc1Br ZINC000587941738 JK Annotated Anodyne CN(C)[C@@H](Cn1c(OC(C)(C)C)cc(-c2ccccc2)c1O)c1cccc(Br)c1 ZINC000587941766 JK Annotated Anodyne CN(C)[C@H](Cn1c(OC(C)(C)C)cc(-c2ccccc2)c1O)c1cccc(Br)c1 ZINC000587941782 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Br)cnc2Br)s1 ZINC000587941794 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cnc4cc(Br)ccc4c3)c2C1 ZINC000587941795 JK Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 ZINC000587941801 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587941806 JK Annotated Anodyne CN(C)[C@H](Cn1c(OC(C)(C)C)cc(Cc2ccccc2)c1O)c1cccc(Br)c1 ZINC000587941821 JK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 ZINC000587941828 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 ZINC000587941829 JK Annotated Bother CN(C)[C@@H](Cn1c(OC(C)(C)C)cc(Cc2ccccc2)c1O)c1cccc(Br)c1 ZINC000587941830 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587941843 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587941847 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941858 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587941887 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941903 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2C[C@@H](c2cccc(Br)c2)N(C)C)s1 ZINC000587941929 JK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2C[C@H](c2cccc(Br)c2)N(C)C)s1 ZINC000587941932 JK Annotated Clean Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cc(Br)cnc1Br ZINC000587941961 JK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 ZINC000587941962 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587941994 JK Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941996 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cc(Cl)cc(Br)c2)CC(C)(C)CC3=O)cc1 ZINC000587941998 JK Annotated Clean Clc1c(Cl)c(Cl)c(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(Cl)c1Cl ZINC000587942002 JK Annotated Anodyne CN(C)[C@H](Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000587942006 JK Annotated Clean CN(C)[C@@H](Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000587942007 JK Annotated Clean COc1ccc(-c2cc3c(n2NCc2ccccc2Br)CC(C)(C)CC3=O)cc1 ZINC000587942026 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942033 JK Annotated Mild COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587942037 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2nn(-c4ncccn4)cc2Br)CC(C)(C)CC3=O)cc1 ZINC000587942054 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 ZINC000587942067 JK Annotated Bother COc1ccccc1Oc1c(Cl)cccc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O ZINC000587942071 JK Annotated Clean CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(C(=O)O)ncc3Br)c2C1 ZINC000587942094 JK Annotated Anodyne Oc1cc(-c2cccc(F)c2)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587942130 JK Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942135 JK Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942139 JK Annotated Bother CCOc1cc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1C(=O)O ZINC000587942174 JK Annotated Clean CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942181 JK Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942190 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942197 JK Annotated Clean CCOC(=O)c1cc(OCC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OCC ZINC000587942208 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000587942225 JK Annotated Clean COc1ccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)cc1Br ZINC000587942274 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cc4cnccc4c(Br)n2)CC(C)(C)CC3=O)cc1 ZINC000587942277 JK Annotated Clean COc1c(Cc2ccccc2)cc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942281 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000587942289 JK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587942323 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cnc(C)c(Br)n1 ZINC000587942346 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1c[nH]cc(Br)c1=O ZINC000587942383 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942394 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc2cnccc2c(Br)n1 ZINC000587942397 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc2cnccc2c(Br)n1 ZINC000587942404 JK Annotated Clean C=C(C)C(=O)OCCOc1ccc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942408 JK Annotated Mild O=C(O)CCc1ccc(-c2cccs2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942423 JK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000587942486 JK Annotated Bother COc1ccccc1Oc1c(Cl)cccc1-n1c(OC(C)(C)C)cc(-c2ccccc2)c1O ZINC000587942491 JK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942493 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587942761 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587942815 JK Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587942824 JK Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587942833 JK Annotated Bother Cc1cc(OCCn2c(OCc3ccccc3)cc(-c3ccccc3)c2O)c(C(C)C)cc1Cl ZINC000587942854 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587942860 JK Annotated Anodyne COc1ccc(-c2cc(O)n(CCCc3ccc(Cl)c(Cl)c3)c2O)cc1Br ZINC000587942869 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942975 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)c(Cl)cc2C(C)C)cc1 ZINC000587942978 JK Annotated Clean Cc1ccc(-c2cc3c(n2CCOc2cc(C)c(Cl)cc2C(C)C)CC(C)(C)CC3=O)cc1 ZINC000587942986 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943009 JK Annotated Anodyne Cc1cc(OCCn2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)c(C(C)C)cc1Cl ZINC000587943019 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587943030 JK Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OC(C)(C)C)cc(-c2ccccc2)c1O ZINC000587943050 JK Annotated Bother COc1ccc(-c2cc3c(n2-c2cc(OC(C)C)c(Cl)cc2Cl)CC(C)(C)CC3=O)cc1 ZINC000587943063 JK Annotated Clean COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943097 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(OC(C)C)c(Cl)cc3Cl)c2O)cc1Br ZINC000587943100 JK Annotated Anodyne CC(C)Oc1cc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)c(Cl)cc1Cl ZINC000587943124 JK Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(-c3ccccc3Br)c2O)c(Cl)cc1Cl ZINC000587943125 JK Annotated Anodyne COc1ccc(-c2cc3c(n2CCCc2ccc(Cl)c(Cl)c2)CC(C)(C)CC3=O)cc1 ZINC000587943155 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587943157 JK Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587943168 JK Annotated Clean Cc1ccc(-c2cc3c(n2-c2cc(OC(C)C)c(Cl)cc2Cl)CC(C)(C)CC3=O)cc1 ZINC000587943205 JK Annotated Clean CC(C)Oc1cc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)c(Cl)cc1Cl ZINC000587943213 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000587943244 JK Annotated Clean Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OC(C)(C)C)cc(Cc2ccccc2)c1O ZINC000587943259 JK Annotated Bother COc1ccc(-c2cc3c(n2CCOc2cc(C)c(Cl)cc2C(C)C)CC(C)(C)CC3=O)cc1 ZINC000587943323 JK Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(-c3cccc(Br)c3)c2O)c(Cl)cc1Cl ZINC000587943365 JK Annotated Anodyne CC(C)Oc1cc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1Cl ZINC000587943394 JK Annotated Clean Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587943396 JK Annotated Bother CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(F)c(Br)cc1F ZINC000587943461 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943466 JK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)ccc2OCCCc2ccccc2)c1F ZINC000587943471 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943473 JK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943474 JK Annotated Clean CCOC(=O)c1cc(OCC)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OCC ZINC000587943478 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587943496 JK Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(CCC(=O)O)ccc1-c1cccs1 ZINC000587943506 JK Annotated Clean CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943513 JK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943514 JK Annotated Bother O=C(OCc1ccccc1)c1c(F)ccc(-n2c(-c3cccs3)ccc2-c2cccs2)c1F ZINC000587943516 JK Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943517 JK Annotated Clean O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c1F ZINC000587943519 JK Annotated Bother COc1ccc(-c2cc3c(n2-c2ccc(-c4cccc(F)c4)c(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587943520 JK Annotated Clean Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587943538 JK Annotated Bother Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1cc(F)c(Br)cc1F ZINC000587943557 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943558 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943567 JK Annotated Bother O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c1F ZINC000587943613 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943614 JK Annotated Mild CC(C)c1ccc(-c2cc(O)n(-c3ccc(F)c(C(=O)OCc4ccccc4)c3F)c2O)cc1 ZINC000587943615 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O ZINC000587943634 JK Annotated Bother CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(F)c(Br)cc1F ZINC000587943669 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943692 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2ccc(F)c(C(=O)OCc4ccccc4)c2F)CC(C)(C)CC3=O)cc1 ZINC000587943694 JK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)s1 ZINC000587943866 JK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)s1 ZINC000587943871 JK Annotated Clean O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c1F ZINC000587943881 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943885 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(-c4cccc(F)c4)c(F)c3)c2O)cc1Br ZINC000587943907 JK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccccc3Cl)c2O)c1F ZINC000587943908 JK Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944010 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000587944011 JK Annotated Bother Cc1ccc(-c2cc3c(n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)CC(C)(C)CC3=O)cc1 ZINC000587944014 JK Annotated Clean COc1ccc(-c2cc3c(n2-c2cc(F)c(Br)cc2F)CC(C)(C)CC3=O)cc1 ZINC000587944036 JK Annotated Clean COc1ccc(-c2ccc(CCC(=O)O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1 ZINC000587944038 JK Annotated Clean COc1ccc(-c2cc(O)n(-c3cc(F)c(Br)cc3F)c2O)cc1Br ZINC000587944041 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)n1 ZINC000587944086 JK Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587944089 JK Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587944090 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944091 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944092 JK Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944110 JK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944111 JK Annotated Bother COc1ccc(-c2cc3c(n2[C@@H](COc2cc(F)cc(F)c2)N=O)CC(C)(C)CC3=O)cc1 ZINC000587944113 JK Annotated Anodyne COc1ccc(-c2cc3c(n2[C@H](COc2cc(F)cc(F)c2)N=O)CC(C)(C)CC3=O)cc1 ZINC000587944114 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)n1 ZINC000587944127 JK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587944141 JK Annotated Bother COc1c(Cc2cccc3ccccc23)cc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944160 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cc(C)n(Cc4ccccc4F)n2)CC(C)(C)CC3=O)cc1 ZINC000587944225 JK Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944227 JK Annotated Bother CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)n1 ZINC000587944269 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)n1 ZINC000587944273 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000587944329 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2C1 ZINC000587944345 JK Annotated Clean CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944347 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944349 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2C1 ZINC000587944366 JK Annotated Clean CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)n1 ZINC000587944378 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944380 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944384 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2ccc(Oc4ccc(F)cc4)c(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587944391 JK Annotated Clean Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944410 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(CCC(=O)O)ccc2-c2cccs2)n1 ZINC000587944420 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2ccc(Oc4ccc5c(c4)CCC5)c(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587944450 JK Annotated Clean CC(C)(C)c1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1 ZINC000587944459 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944462 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)n1 ZINC000587944463 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944465 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944480 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944487 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944496 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944497 JK Annotated Anodyne Fc1ccccc1OCn1cc(Cl)c(-n2c(-c3cccs3)ccc2-c2cccs2)n1 ZINC000587944511 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944541 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944562 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587944605 JK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944638 JK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944651 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944656 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944660 JK Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587944704 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944725 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)s1 ZINC000587944737 JK Annotated Clean CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944760 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2ccc(Oc4ccc(F)cc4)c(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587944786 JK Annotated Clean Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944787 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)n1 ZINC000587944793 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944815 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944821 JK Annotated Clean Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944823 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944858 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944861 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944873 JK Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587945025 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945026 JK Annotated Anodyne COc1ccc(-c2cc3c(n2CC[C@@H](c2ccc(F)cc2)c2ccco2)CC(C)(C)CC3=O)cc1 ZINC000587945027 JK Annotated Anodyne COc1ccc(-c2cc3c(n2CC[C@H](c2ccc(F)cc2)c2ccco2)CC(C)(C)CC3=O)cc1 ZINC000587945028 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945035 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3nn(COc4ccccc4F)cc3Cl)c2C1 ZINC000587945070 JK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945072 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945073 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945081 JK Annotated Anodyne COc1ccc(-c2cc(O)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2O)cc1Br ZINC000587945118 JK Annotated Anodyne COc1ccc(-c2cc(O)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2O)cc1Br ZINC000587945120 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945142 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)n1 ZINC000587945162 JK Annotated Anodyne Fc1cccc(Cn2c(Cn3c(-c4ccccc4)ccc3-c3ccccc3)nc3ccccc32)c1 ZINC000587945168 JK Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945194 JK Annotated Clean O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587945198 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945209 JK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945223 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945256 JK Annotated Anodyne CCOC(=O)c1cc(OCC)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1OCC ZINC000587945280 JK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945308 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587945408 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)s1 ZINC000587945463 JK Annotated Clean CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2C1 ZINC000587945496 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2C1 ZINC000587945498 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945515 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3nc(S)ncc3C(=O)Nc3cccc(F)c3)c2O)cc1 ZINC000587945518 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945544 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2nn(COc4ccccc4F)cc2Cl)CC(C)(C)CC3=O)cc1 ZINC000587945553 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(C(C)C)cc3)c2O)n1 ZINC000587945622 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000587945626 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)n1 ZINC000587945630 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2nn(COc4ccccc4F)cc2Cl)CC(C)(C)CC3=O)cc1 ZINC000587945736 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945737 JK Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OCC ZINC000587945749 JK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2C1 ZINC000587945760 JK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945764 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1 ZINC000587945770 JK Annotated Bother Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945774 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945784 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(-c3cccs3)ccc2-c2cccs2)n1 ZINC000587945803 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945805 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945859 JK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587945865 JK Annotated Anodyne Fc1cc(-n2c(-c3cccs3)ccc2-c2cccs2)ccc1Oc1ccc2c(c1)CCC2 ZINC000587945908 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2Cc2nc4ccccc4n2Cc2cccc(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587945915 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2CC[C@@H](c2ccc(F)cc2)c2ccco2)CC(C)(C)CC3=O)cc1 ZINC000587946047 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2CC[C@H](c2ccc(F)cc2)c2ccco2)CC(C)(C)CC3=O)cc1 ZINC000587946048 JK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)CC2 ZINC000587946056 JK Annotated Reactive COc1ccc2c(c1)C[C@@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)CC2 ZINC000587946057 JK Annotated Reactive CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)n1 ZINC000587946064 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(-c3ccccc3)ccc2-c2ccccc2)n1 ZINC000587946106 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)cc1 ZINC000587946126 JK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946144 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946187 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946193 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1 ZINC000587946215 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946245 JK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946246 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2nn(COc3ccccc3F)cc2Cl)cc1 ZINC000587946256 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccccc3Br)c2O)n1 ZINC000587946259 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946264 JK Annotated Clean CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946323 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)s1 ZINC000587946404 JK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946411 JK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)cc1 ZINC000587946412 JK Annotated Clean Oc1cc(-c2cccc(Br)c2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946413 JK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946438 JK Annotated Mild O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587946482 JK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946484 JK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3nc(S)ncc3C(=O)Nc3cccc(F)c3)c2O)cc1 ZINC000587946507 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946508 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946515 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2OCCCc2ccccc2)n1 ZINC000587946551 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(C)n(Cc4ccccc4F)n3)c2O)cc1Br ZINC000587946555 JK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946571 JK Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946594 JK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946596 JK Annotated Bother CC(C)(C)c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1 ZINC000587946605 JK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2O)cc1Br ZINC000587946607 JK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2ccc(Oc4ccc5c(c4)CCC5)c(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587946612 JK Annotated Clean Oc1cc(-c2ccccc2Br)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946618 JK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(CCC(=O)O)ccc2-c2ccc(C)s2)n1 ZINC000587946648 JK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946716 JK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)cc1 ZINC000587946745 JK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946747 JK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2nn(COc3ccccc3F)cc2Cl)s1 ZINC000587946805 JK Annotated Anodyne Fc1cccc(Cn2c(Cn3c(-c4cccs4)ccc3-c3cccs3)nc3ccccc32)c1 ZINC000587946813 JK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946847 JK Annotated Clean O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946853 JK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946860 JK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1 ZINC000587946872 JK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946879 JK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)CC2 ZINC000587947058 JK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)CC2 ZINC000587947059 JK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cnc(Cc4ccc(F)cc4)nc2)CC(C)(C)CC3=O)cc1 ZINC000587947061 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc12 ZINC000587948316 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587948337 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587948366 JK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2cc1OC ZINC000587948387 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587948426 JK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587948449 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587948450 JK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587948452 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 ZINC000587948480 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587948482 JK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1C ZINC000587948528 JK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 ZINC000587948532 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587948547 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587948602 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587948615 JK Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2cc1Br ZINC000587948620 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587948636 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587948639 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587948645 JK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 ZINC000587948668 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587948783 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587948804 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cncc(Br)c2[nH]1 ZINC000587948808 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587948809 JK Annotated Anodyne Cc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587948835 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587948836 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587948852 JK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587948883 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587948902 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587948990 JK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587949009 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587949047 JK Annotated Anodyne Brc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949057 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587949065 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587949083 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587949116 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587949141 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587949217 JK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587949218 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949224 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949225 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587949239 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OCc5ccccc5)c(Br)cc4[nH]1)(C3)C2 ZINC000587949271 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587949290 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587949291 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587949298 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587949299 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587949306 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587949311 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587949312 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587949316 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 ZINC000587949318 JK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 ZINC000587949319 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587949320 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587949342 JK Annotated Anodyne CCCCOc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949349 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(Br)c2[nH]1 ZINC000587949367 JK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949371 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587949375 JK Annotated Bother FC(F)(F)c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949387 JK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949388 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949396 JK Annotated Anodyne Clc1ncc(I)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949399 JK Annotated Anodyne Brc1cc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2cc1OCc1ccccc1 ZINC000587949410 JK Annotated Anodyne Brc1cc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2cc1OCc1ccccc1 ZINC000587949411 JK Annotated Anodyne CCCCOc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1Br ZINC000587949424 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949450 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949465 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587949490 JK Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587949498 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587949499 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587949521 JK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587949529 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587949534 JK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 ZINC000587949539 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587949551 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587949555 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949576 JK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949578 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949626 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccccc5Oc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587949650 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccccc5Oc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587949651 JK Annotated Anodyne Clc1ncc(I)c2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949664 JK Annotated Anodyne Clc1ncc(I)c2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949665 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)cc1 ZINC000587949667 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OCC(C)C)c(Br)cc4[nH]1)(C3)C2 ZINC000587949670 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587949693 JK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587949695 JK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587949696 JK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949697 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587949705 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949718 JK Annotated Anodyne Brc1cc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2cc1OCc1ccccc1 ZINC000587949721 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1OC ZINC000587949722 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587949726 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587949733 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587949738 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587949797 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587949809 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C45C[C@H]6C[C@@H](CC(OC(C)=O)(C6)C4)C5)[nH]c3c2)cc1 ZINC000587949853 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OC(F)(F)F)cc(Br)c4[nH]1)(C3)C2 ZINC000587949870 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(C(F)(F)F)c4[nH]1)(C3)C2 ZINC000587949878 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OCCC(C)C)c(Br)cc4[nH]1)(C3)C2 ZINC000587949898 JK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949912 JK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949913 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)c(Br)cc4[nH]1)(C3)C2 ZINC000587949951 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COC56CC7CC(CC(C7)C5)C6)[nH]c4c3)o2)cc1 ZINC000587949977 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587949983 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(OC(F)(F)F)c4[nH]1)(C3)C2 ZINC000587950013 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 ZINC000587950014 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 ZINC000587950017 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950074 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)cc(Br)c4[nH]1)(C3)C2 ZINC000587950076 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950079 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C56C[C@H]7C[C@@H](CC(OC(C)=O)(C7)C5)C6)[nH]c4c3)o2)cc1 ZINC000587950117 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950146 JK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950147 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950165 JK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950166 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950167 JK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950168 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 ZINC000587950169 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 ZINC000587950178 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950181 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950185 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)c(Br)cc4[nH]1)(C3)C2 ZINC000587950234 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2cc1Br ZINC000587950346 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2cc1Br ZINC000587950347 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2cc1Br ZINC000587950348 JK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@H](C)C3)[nH]c2cc1Br ZINC000587950349 JK Annotated Mild C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587950380 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950505 JK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950506 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]1)(C3)C2 ZINC000587950533 JK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950585 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Br)ccc(Br)c4[nH]1)(C3)C2 ZINC000587950590 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950602 JK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950604 JK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587950638 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950667 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950669 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)cc1 ZINC000587950736 JK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)cc1 ZINC000587950737 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Oc5ccc6ccccc6c5)[nH]c4c3)o2)cc1 ZINC000587950757 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587950939 JK Annotated Reactive CO[C@H](C)COC1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587950942 JK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587950967 JK Annotated Reactive Brc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587951000 JK Annotated Anodyne Brc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587951002 JK Annotated Anodyne CCCCCOc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1Br ZINC000587951088 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587951131 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587951134 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587951136 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587951138 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951160 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)cc1 ZINC000587951190 JK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)cc1 ZINC000587951192 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587951197 JK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587951199 JK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587951223 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587951224 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587951297 JK Annotated Reactive CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587951298 JK Annotated Reactive CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587951299 JK Annotated Reactive CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587951300 JK Annotated Reactive CCCCCCCCOc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587951331 JK Annotated Mild CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c(C(F)(F)F)c4[nH]1)(C3)C2 ZINC000587951356 JK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OC(F)(F)F)c(Br)cc4[nH]1)(C3)C2 ZINC000587951410 JK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587951427 JK Annotated Reactive C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587951474 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587951578 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587951579 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587951580 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587951581 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1Br ZINC000587951584 JK Annotated Mild CCCCCCCCOc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1Br ZINC000587951585 JK Annotated Mild CO[C@H](C)COC1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000587951612 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000587951613 JK Annotated Anodyne COC(=O)c1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587951712 JK Annotated Anodyne Brc1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1OCc1ccccc1 ZINC000587951730 JK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587951810 JK Annotated Mild CC(C)CCOc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587951847 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000587951880 JK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000587951881 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587951896 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 ZINC000587951907 JK Annotated Reactive CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587952008 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587952009 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587952010 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587952011 JK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587952033 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587952058 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587952063 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587952065 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587952068 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587952144 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000587952225 JK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000587952226 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587952267 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587952268 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587952269 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587952270 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587952271 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587952272 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587952273 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587952274 JK Annotated Anodyne CCCCCOc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1Br ZINC000587952353 JK Annotated Anodyne CCCCCOc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1Br ZINC000587952354 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587952491 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587952492 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587952493 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587952494 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587952537 JK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587952538 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5CCC(OC[C@H](C)OC)CC5)[nH]c4c3)o2)cc1 ZINC000587952589 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5CCC(OC[C@@H](C)OC)CC5)[nH]c4c3)o2)cc1 ZINC000587952590 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587952592 JK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587952593 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587952594 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587952595 JK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587952596 JK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587952597 JK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000587952608 JK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000587952609 JK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000587952682 JK Annotated Anodyne COC(=O)c1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587952758 JK Annotated Anodyne COC(=O)c1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587952759 JK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000587952820 JK Annotated Anodyne O=C(O)c1cc2[nH]c(C#Cc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587953032 JK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000587953144 JK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000587953237 JK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000587953312 JK Annotated Anodyne O=C(CCc1ccccc1)c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587953704 JK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc5ccccc5c4)[nH]c3c2)cc1 ZINC000587953951 JK Annotated Anodyne C=CCc1cccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c12 ZINC000587954013 JK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000587954051 JK Annotated Anodyne C=CCC(C)(C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587954224 JK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587954808 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587954809 JK Annotated Anodyne Clc1ncc(I)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587954870 JK Annotated Anodyne Clc1ncc(I)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587954871 JK Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587954877 JK Annotated Reactive CCc1ccc(C(=O)CCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587955143 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C)(C)c3ccccc3C)[nH]c2cc1Br ZINC000587955261 JK Annotated Mild FC(F)(F)Oc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955275 JK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955276 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955328 JK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955329 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587955438 JK Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587955442 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587955587 JK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587955588 JK Annotated Anodyne Brc1cc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587955684 JK Annotated Anodyne Brc1cc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587955687 JK Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587955731 JK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587955738 JK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587955742 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587955761 JK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587955763 JK Annotated Anodyne CCC[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)C ZINC000587955908 JK Annotated Anodyne CCC[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)C ZINC000587955909 JK Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587955946 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587956074 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587956075 JK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587956119 JK Annotated Anodyne CCC[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000587956190 JK Annotated Bother CCC[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000587956191 JK Annotated Bother CCCOc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1Br ZINC000587956453 JK Annotated Anodyne CC#CCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587956476 JK Annotated Reactive O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587956621 JK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587956643 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587956645 JK Annotated Bother O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587956666 JK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587956730 JK Annotated Anodyne CCCCCOc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587956731 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587956756 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587956764 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587956766 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587956787 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587956792 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587956835 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587956843 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587956845 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587956849 JK Annotated Reactive CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587956854 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587956855 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587956856 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587956857 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587956861 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587956868 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587956876 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587956877 JK Annotated Mild COC(=O)c1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cn1 ZINC000587956878 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587956883 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587956887 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587956897 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587956898 JK Annotated Anodyne CC(C)COc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1Br ZINC000587956900 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587956905 JK Annotated Clean CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587956906 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587956907 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587956908 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587956917 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587956919 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587956924 JK Annotated Bother CC#CCCCCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587956957 JK Annotated Mild Brc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587957058 JK Annotated Anodyne Brc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587957059 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587957091 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587957093 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587957094 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587957099 JK Annotated Anodyne Cc1nc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2cc1Br ZINC000587957104 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587957126 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587957127 JK Annotated Mild O=C(O)CCCCCCCCCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587957134 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587957138 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587957153 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587957157 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587957181 JK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587957190 JK Annotated Reactive CC#CCCCCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587957192 JK Annotated Mild COC(=O)c1cccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957197 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587957213 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587957216 JK Annotated Anodyne Cc1cc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2cc1[N+](=O)[O-] ZINC000587957224 JK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587957230 JK Annotated Anodyne COc1cc(OC)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587957251 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587957252 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587957255 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 ZINC000587957258 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587957274 JK Annotated Bother COc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1OC ZINC000587957279 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587957298 JK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000587957319 JK Annotated Anodyne CC(C)Oc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1Br ZINC000587957326 JK Annotated Anodyne CC(C)CCOc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1Br ZINC000587957346 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587957361 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587957364 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587957369 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587957379 JK Annotated Bother O=C(O)CCCCCCCCCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587957389 JK Annotated Anodyne CC#CCCCCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587957395 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587957401 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587957403 JK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587957406 JK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 ZINC000587957415 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587957436 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cccc(I)c2[nH]1 ZINC000587957439 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587957464 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587957465 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587957466 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587957467 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587957478 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587957489 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587957507 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587957521 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587957523 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587957527 JK Annotated Bother Cc1cc(Br)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587957531 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587957536 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587957540 JK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc12 ZINC000587957546 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587957547 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587957557 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587957640 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587957644 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587957656 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587957664 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587957676 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587957677 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587957685 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587957688 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587957689 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587957691 JK Annotated Anodyne COc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1Cl ZINC000587957694 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587957698 JK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587957700 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587957702 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587957707 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587957709 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587957714 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587957718 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587957719 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587957720 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587957722 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587957727 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587957728 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587957731 JK Annotated Anodyne COC(=O)c1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587957744 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587957748 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587957750 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587957752 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587957753 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Br)nc2[nH]1 ZINC000587957755 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587957759 JK Annotated Anodyne COC(=O)c1cc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2cc1OC ZINC000587957762 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587957768 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587957769 JK Annotated Mild Cc1ccc2c(ccc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c32)n1 ZINC000587957770 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587957772 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587957774 JK Annotated Anodyne Cc1c(Br)ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957791 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc12 ZINC000587957794 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587957798 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587957807 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587957808 JK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587957810 JK Annotated Anodyne COC(=O)c1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1OC ZINC000587957813 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587957818 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587957828 JK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587957836 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587957837 JK Annotated Anodyne Cc1cc(Br)cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957838 JK Annotated Anodyne COC(=O)c1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2n1 ZINC000587957848 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587957855 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587957857 JK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 ZINC000587957867 JK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587957869 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587957901 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587957902 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587958097 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587958098 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587958111 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587958112 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587958117 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587958118 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587958125 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587958126 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587958127 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587958128 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587958144 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587958145 JK Annotated Mild C=CCc1cccc2nc(CCCCCCCCCCC/C=C\CCCCCCCC)[nH]c12 ZINC000587958146 JK Annotated Mild C=CCc1cccc2nc(CCCCCCCCCCC/C=C/CCCCCCCC)[nH]c12 ZINC000587958147 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587958156 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587958157 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587958158 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587958159 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587958164 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587958165 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587958170 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587958171 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587958172 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587958173 JK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587958174 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587958175 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587958180 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587958181 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587958186 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587958187 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587958188 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587958189 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587958200 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587958201 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587958202 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587958203 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587958204 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587958205 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587958206 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587958207 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587958225 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587958226 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587958227 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587958228 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587958229 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587958230 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587958231 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587958232 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587958243 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587958244 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587958245 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587958246 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587958249 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587958250 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587958251 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587958252 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587958253 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000587958254 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587958259 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587958260 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587958265 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587958266 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587958267 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587958268 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587958271 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587958272 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587958273 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587958274 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587958287 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587958288 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587958289 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587958290 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587958297 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587958298 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587958299 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587958300 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587958303 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587958304 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587958305 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587958306 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587958309 JK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587958310 JK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587958311 JK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587958312 JK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587958315 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587958316 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587958317 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587958318 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587958319 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587958320 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587958321 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587958322 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587958327 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587958328 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587958329 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587958330 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587958331 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587958332 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587958333 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587958334 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587958337 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587958338 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587958339 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587958340 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587958341 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587958342 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587958343 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587958344 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587958349 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587958350 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587958363 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587958364 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587958365 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587958366 JK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587958375 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587958376 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587958377 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587958378 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587958379 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587958380 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587958381 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587958382 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587958383 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587958384 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587958441 JK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccccc5-c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587958457 JK Annotated Anodyne Brc1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587958466 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587958500 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587958506 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587958507 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587958509 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587958516 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587958517 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587958518 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587958519 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587958520 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587958521 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587958522 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000587958523 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587958524 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587958525 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587958526 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587958527 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587958532 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587958533 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587958546 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587958547 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587958548 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587958549 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587958556 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587958557 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587958564 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587958565 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587958566 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587958567 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(SC)cc2[nH]1 ZINC000587958570 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(SC)cc2[nH]1 ZINC000587958571 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587958584 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587958585 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587958590 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587958591 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587958592 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587958593 JK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587958596 JK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587958683 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587958743 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587958744 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587958745 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587958747 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587958772 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587958773 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587958774 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587958775 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587958776 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587958777 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587958784 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587958788 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587958789 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587958791 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587958801 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587958804 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587958805 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587958806 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587958807 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587958808 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587958831 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587958833 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587958835 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587958837 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587958839 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587958840 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587958841 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587958842 JK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587958843 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587958845 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000587958848 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000587958851 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000587958852 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000587958853 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587958865 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587958866 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587958867 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587958868 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587958869 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587958870 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587958871 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587958873 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587958875 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587958876 JK Annotated Anodyne Cc1ccc(C)c(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587958891 JK Annotated Bother CC[C@@]1(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958913 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958914 JK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587958935 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587958945 JK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587958988 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587959121 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587959123 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587959124 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587959125 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587959126 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587959127 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587959128 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587959129 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587959130 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587959131 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587959132 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587959133 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587959150 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587959151 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587959152 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587959153 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587959180 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587959181 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587959182 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587959183 JK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 ZINC000587959208 JK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587959319 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587959320 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587959321 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587959322 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587959323 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587959324 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587959326 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587959327 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)nc2[nH]1 ZINC000587959329 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)nc2[nH]1 ZINC000587959330 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)nc2[nH]1 ZINC000587959332 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)nc2[nH]1 ZINC000587959334 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587959342 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587959343 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587959345 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587959347 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587959355 JK Annotated Mild Cc1ccccc1-c1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587959358 JK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587959361 JK Annotated Mild CC[C@]1(Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959403 JK Annotated Anodyne CC[C@@]1(Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959406 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587959434 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587959436 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587959438 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587959441 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587959447 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587959450 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587959451 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000587959453 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587959473 JK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000587959476 JK Annotated Reactive CC[C@@]1(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959530 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959531 JK Annotated Anodyne CC[C@@]1(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959547 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959549 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587959597 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587959598 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587959599 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587959610 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587959611 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587959612 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587959613 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587959620 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587959621 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587959622 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587959623 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587959632 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587959633 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587959636 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587959637 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587959648 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587959649 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587959654 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587959655 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587959659 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587959660 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587959661 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000587959662 JK Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587959665 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587959689 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587959693 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587959702 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587959705 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587959706 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587959707 JK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587959797 JK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587959854 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(-c6ccccc6C)cc5)[nH]c4c3)o2)cc1 ZINC000587959858 JK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587959898 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587959958 JK Annotated Anodyne CCCCOc1cc2nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587959968 JK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1Br ZINC000587959969 JK Annotated Anodyne CCCCOc1cc2nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587959970 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587960020 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587960023 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587960026 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587960028 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587960031 JK Annotated Anodyne CC[C@@]1(Cc2nc3cc(Br)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960032 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587960033 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(Br)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960038 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587960053 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587960061 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587960094 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587960095 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587960096 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587960097 JK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 ZINC000587960102 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587960129 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587960131 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587960133 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587960135 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587960137 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587960138 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587960153 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587960156 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587960157 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587960159 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587960161 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587960163 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587960179 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587960182 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587960183 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587960184 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587960185 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587960187 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587960188 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587960190 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587960196 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587960197 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587960198 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587960199 JK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000587960372 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587960417 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587960420 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587960421 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587960422 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587960450 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587960453 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587960456 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587960458 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587960462 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587960472 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587960475 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587960478 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587960481 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587960492 JK Annotated Mild O=C(O)c1cc2[nH]c(CC3CCCCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587960546 JK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587960565 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587960568 JK Annotated Mild CC[C@@]1(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960572 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960574 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587960587 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587960590 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587960614 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587960621 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587960622 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587960623 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587960636 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587960640 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587960641 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(Br)c2[nH]1 ZINC000587960642 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587960657 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587960671 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587960672 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587960673 JK Annotated Anodyne CC1(C)CCC(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000587960797 JK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000587960806 JK Annotated Mild CC[C@]1(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960816 JK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000587960817 JK Annotated Mild CC[C@@]1(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960819 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587960821 JK Annotated Mild CC[C@]1(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960872 JK Annotated Anodyne CC[C@@]1(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960879 JK Annotated Anodyne CC[C@]1(Cc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960882 JK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587960883 JK Annotated Mild CC[C@@]1(Cc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960887 JK Annotated Anodyne CC[C@@]1(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960897 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960903 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587960918 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587960962 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587960991 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587960994 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587960997 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587961001 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587961052 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587961062 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587961064 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587961068 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587961136 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587961143 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587961144 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587961145 JK Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587961146 JK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587961217 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587961229 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587961230 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587961231 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587961247 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587961248 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587961249 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000587961250 JK Annotated Anodyne CC[C@@]1(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961292 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961294 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587961347 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587961348 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587961349 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587961350 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587961395 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587961404 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587961406 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587961407 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587961410 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587961415 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587961433 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587961438 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587961439 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587961453 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587961468 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587961493 JK Annotated Mild CC[C@@]1(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961571 JK Annotated Anodyne CC[C@]1(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961574 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000587961614 JK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br ZINC000587961621 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000587961633 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000587961637 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3ccccc3cc2[nH]1 ZINC000587961639 JK Annotated Anodyne CC[C@]1(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961685 JK Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961687 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587961864 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587961867 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587961868 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587961869 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587961884 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587961886 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587961888 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587961890 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587961892 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587961893 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587961896 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587961898 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587961899 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587961900 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587961901 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587961903 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587961908 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587961915 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587961917 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587961918 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587961919 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587961920 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587961921 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cncc(Br)c2[nH]1 ZINC000587961922 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587961945 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587961947 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587961955 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587961958 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587961961 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587961962 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587962006 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587962008 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587962009 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587962010 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587962031 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587962037 JK Annotated Mild Brc1cc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2cc1OCc1ccccc1 ZINC000587962082 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587962130 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587962136 JK Annotated Mild CC[C@@]1(Cc2nc3c(Br)ccc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962153 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587962155 JK Annotated Mild CC[C@]1(Cc2nc3c(Br)ccc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962156 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587962159 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587962201 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587962205 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587962211 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587962215 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962232 JK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C[C@@]3(CC)CC(=O)c4ccccc4C3)nc2c1 ZINC000587962239 JK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@]3(CC)CC(=O)c4ccccc4C3)nc2c1 ZINC000587962240 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962243 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587962246 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587962248 JK Annotated Mild CC[C@@]1(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962256 JK Annotated Anodyne CC[C@]1(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962257 JK Annotated Anodyne CC[C@@]1(Cc2nc3c(Br)cnc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962259 JK Annotated Anodyne CC[C@]1(Cc2nc3c(Br)cnc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962264 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587962265 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587962269 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587962271 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587962272 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587962279 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587962282 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587962301 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587962306 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(Br)c2[nH]1 ZINC000587962341 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(Br)c2[nH]1 ZINC000587962342 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587962385 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587962386 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587962401 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587962403 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587962405 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587962407 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Br ZINC000587962416 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587962475 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587962477 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587962479 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587962481 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587962489 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587962491 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587962493 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587962494 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587962518 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587962519 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587962520 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587962521 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587962542 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587962544 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587962546 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587962548 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587962549 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587962550 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587962559 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587962565 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000587962570 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000587962572 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587962589 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587962590 JK Annotated Mild CCCCCOc1cc2nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587962595 JK Annotated Anodyne CCCCCOc1cc2nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587962597 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587962626 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587962627 JK Annotated Mild CC[C@]1(Cc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962630 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587962631 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587962632 JK Annotated Mild CC[C@@]1(Cc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962633 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587962638 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587962640 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587962647 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587962649 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587962654 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587962656 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587962667 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587962670 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587962678 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587962683 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587962703 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587962707 JK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccccc4-c4ccccc4)[nH]c3c2)cc1 ZINC000587962806 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587962834 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587962836 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587962886 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587962888 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587962900 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587962906 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587962907 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587962909 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587962910 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587962912 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587962917 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587962919 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587962921 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587962929 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587962933 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587962935 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587962957 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587962961 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587962962 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587962964 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587962966 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587962972 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587962974 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587962977 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587962986 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587962988 JK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587963024 JK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587963028 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587963029 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587963030 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587963031 JK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587963034 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587963036 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587963039 JK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587963050 JK Annotated Bother C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587963053 JK Annotated Bother C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587963057 JK Annotated Bother C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587963061 JK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587963071 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587963072 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587963075 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587963077 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587963104 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587963105 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587963106 JK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587963107 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587963129 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587963130 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587963152 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587963153 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)nc2[nH]1 ZINC000587963165 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)nc2[nH]1 ZINC000587963166 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587963169 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587963170 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587963174 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587963175 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)ncc2[nH]1 ZINC000587963181 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)ncc2[nH]1 ZINC000587963182 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963185 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963186 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587963201 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587963202 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587963205 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587963206 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccnc(Br)c2[nH]1 ZINC000587963215 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccnc(Br)c2[nH]1 ZINC000587963234 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587963271 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587963274 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587963315 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587963339 JK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1Cl ZINC000587963351 JK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1Cl ZINC000587963352 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587963365 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587963367 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587963370 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587963378 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cncc(Br)c2[nH]1 ZINC000587963388 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cncc(Br)c2[nH]1 ZINC000587963389 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587963402 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587963403 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cnc2[nH]1 ZINC000587963418 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cnc2[nH]1 ZINC000587963419 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587963436 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587963437 JK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)nc2c1 ZINC000587963439 JK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)nc2c1 ZINC000587963440 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587963454 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587963455 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)ccnc2[nH]1 ZINC000587963475 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)ccnc2[nH]1 ZINC000587963476 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587963483 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587963484 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587963491 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587963492 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587963496 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587963498 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587963527 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587963530 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587963537 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587963538 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587963569 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587963570 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587963571 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587963572 JK Annotated Mild CC1(C)CCC(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC1 ZINC000587963761 JK Annotated Anodyne CC1(C)CCC(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587964153 JK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)nc12 ZINC000587964523 JK Annotated Mild COC(=O)c1ccnc2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)nc12 ZINC000587964524 JK Annotated Mild CCCCCCCCOc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br ZINC000587964569 JK Annotated Mild COC(=O)c1cc2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)nc2cc1OC ZINC000587964585 JK Annotated Mild COC(=O)c1cc2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)nc2cc1OC ZINC000587964586 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587964587 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587964588 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587964606 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587964609 JK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1OC ZINC000587964639 JK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1OC ZINC000587964641 JK Annotated Mild COC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2n1 ZINC000587964650 JK Annotated Mild COC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2n1 ZINC000587964651 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587964748 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587964751 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587964779 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587964789 JK Annotated Mild CCOC(=O)Cc1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587964830 JK Annotated Mild CCOC(=O)Cc1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587964834 JK Annotated Mild CCS(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587964909 JK Annotated Mild CCS(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587964910 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587964931 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587964933 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587964966 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587964969 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587964985 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587964989 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587964990 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587964993 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587965032 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587965035 JK Annotated Mild COC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587965106 JK Annotated Mild COC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587965107 JK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587965134 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587965139 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587965144 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587965147 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587965148 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587965159 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587965161 JK Annotated Mild COC(=O)c1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cn1 ZINC000587965185 JK Annotated Mild COC(=O)c1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cn1 ZINC000587965186 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587965196 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587965197 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587965203 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587965208 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587965209 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587965210 JK Annotated Mild COC(=O)c1cccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c12 ZINC000587965236 JK Annotated Mild COC(=O)c1cccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c12 ZINC000587965237 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587965244 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587965247 JK Annotated Mild CCOC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587965254 JK Annotated Mild CCOC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587965256 JK Annotated Mild COc1cc(OC)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)nc2c1 ZINC000587965258 JK Annotated Mild COc1cc(OC)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)nc2c1 ZINC000587965259 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587965271 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587965303 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587965304 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587965305 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587965327 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587965344 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587965364 JK Annotated Reactive CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587965365 JK Annotated Reactive CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587965423 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587965426 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587965483 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587965484 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587965490 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587965491 JK Annotated Mild CC/C(=C\c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(C)cc1 ZINC000587965505 JK Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(C)cc1 ZINC000587965506 JK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587965625 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587965635 JK Annotated Mild CC/C(=C\c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(C)cc1 ZINC000587965678 JK Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(C)cc1 ZINC000587965682 JK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587965741 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587965742 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587965745 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587965746 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587965774 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587965775 JK Annotated Mild COC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1OC ZINC000587965778 JK Annotated Mild COC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1OC ZINC000587965779 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587965782 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587965783 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587965792 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587965793 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587965794 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587965795 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587965852 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587965855 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587965862 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587965864 JK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587965883 JK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587965886 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C(\CC)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587965918 JK Annotated Mild CCCCCCCCOc1cc2nc(/C=C(/CC)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587965926 JK Annotated Mild C/C(=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1CCCCC1 ZINC000587966083 JK Annotated Anodyne C/C(=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1CCCCC1 ZINC000587966087 JK Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587966586 JK Annotated Reactive Cc1ccc(C(=O)/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587966591 JK Annotated Reactive CC/C(=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587967081 JK Annotated Reactive CC/C(=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587967082 JK Annotated Reactive Brc1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1OCc1ccccc1 ZINC000587967313 JK Annotated Anodyne Brc1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1OCc1ccccc1 ZINC000587967315 JK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587967649 JK Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587967818 JK Annotated Bother CC(C)=CCC/C(C)=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587967868 JK Annotated Bother CC(C)=CCC/C(C)=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587967869 JK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 ZINC000587967984 JK Annotated Reactive O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587968335 JK Annotated Bother CCCCCCCCOc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br ZINC000587968397 JK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587968483 JK Annotated Anodyne C/C(=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CCCCC1 ZINC000587968521 JK Annotated Bother C/C(=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CCCCC1 ZINC000587968522 JK Annotated Bother CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587968584 JK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587968585 JK Annotated Anodyne C/C(=C\c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C1CCCCC1 ZINC000587969259 JK Annotated Anodyne C/C(=C/c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C1CCCCC1 ZINC000587969260 JK Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587969267 JK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587969268 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C1 ZINC000587969383 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)C1 ZINC000587969408 JK Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]1)(C3)C2 ZINC000587969628 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 ZINC000587969689 JK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 ZINC000587969690 JK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 ZINC000587969738 JK Annotated Bother O=C1CCC(c2ccccc2)(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000587969979 JK Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]1)(C3)C2 ZINC000587970018 JK Annotated Reactive O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(OCc5ccccc5)c(Br)cc4[nH]1)(C3)C2 ZINC000587970157 JK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587970486 JK Annotated Mild CCCCCOc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587970625 JK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587970627 JK Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587970872 JK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(c6ccccc6)CCC(=O)CC5)[nH]c4c3)o2)cc1 ZINC000587970911 JK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587970984 JK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587971007 JK Annotated Anodyne CC(C)CCOc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587971051 JK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587971294 JK Annotated Reactive C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1Cc1c(C)ccc2c1C(=O)C(OC)=CC2=O ZINC000059032318 JK Annotated Mild CNCCc1c(/C=C/[C@@]2(C)C[C@H](C=C(C)C)c3c(CCNC)c4ccccc4n32)[nH]c2ccccc12 ZINC000059046582 JK Annotated Anodyne C[C@H](Oc1cccc(Cl)c1)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059051879 JK Annotated Mild C[C@@H](Oc1cccc(Cl)c1)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059051881 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059052565 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1 ZINC000059052567 JK Annotated Mild O=C1CCCCCCCCCC/C(=N\OC(=O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000059061837 JK Annotated Mild C[C@H](Oc1ccccc1Cl)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059062067 JK Annotated Mild C[C@@H](Oc1ccccc1Cl)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059062068 JK Annotated Mild C[C@H](Oc1ccc(Cl)cc1)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059062069 JK Annotated Mild C[C@@H](Oc1ccc(Cl)cc1)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059062070 JK Annotated Mild Cc1cc(O[C@@H](C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)ccc1Cl ZINC000059062077 JK Annotated Mild Cc1cc(O[C@H](C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)ccc1Cl ZINC000059062078 JK Annotated Mild C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059062253 JK Annotated Mild C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000059062254 JK Annotated Mild C[C@@H]1CC/C(=N/OC(=O)COc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000059062257 JK Annotated Mild C[C@H]1CC/C(=N/OC(=O)COc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000059062258 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)O/N=C1\CCCCCCCCCCC(=O)O[C@H](C)CC1 ZINC000059062261 JK Annotated Mild Cc1cc(Cl)ccc1OCC(=O)O/N=C1\CCCCCCCCCCC(=O)O[C@@H](C)CC1 ZINC000059062266 JK Annotated Mild Cc1cc(OCC(=O)O/N=C2\CCCCCCCCCCC(=O)O[C@H](C)CC2)ccc1Cl ZINC000059062399 JK Annotated Mild Cc1cc(OCC(=O)O/N=C2\CCCCCCCCCCC(=O)O[C@@H](C)CC2)ccc1Cl ZINC000059062401 JK Annotated Mild C[C@@H]1CC/C(=N/OC(=O)COc2ccc(Cl)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000059062407 JK Annotated Mild C[C@H]1CC/C(=N/OC(=O)COc2ccc(Cl)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000059062408 JK Annotated Mild C[C@@H]1CC/C(=N/OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000059062505 JK Annotated Mild C[C@H]1CC/C(=N/OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000059062506 JK Annotated Mild C[C@H](Oc1ccc(Cl)cc1)C(=O)O/N=C1\CCCCCCCCCCC(=O)O[C@H](C)CC1 ZINC000059062507 JK Annotated Mild C[C@H]1CC/C(=N/OC(=O)[C@H](C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000059062508 JK Annotated Mild O=c1cc(-c2ccc(C(F)(F)F)cc2Cl)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 ZINC000059082422 JK Annotated Anodyne Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1 ZINC000059084052 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000059085474 JK Annotated Mild COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 ZINC000059099887 JK Annotated Anodyne CON/C=N/C(=O)c1ccc(C2=NO[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C ZINC000059114735 JK Annotated Mild in-vitro CC(C)(C)c1cc(-c2csc(C3(N4CCOCC4)CCOCC3)n2)cc(C(C)(C)C)c1O ZINC000059125104 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130360 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130362 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130363 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130365 JK Annotated Anodyne Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4nc3Cl)c2cc1F ZINC000059150317 JK Annotated Anodyne Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4cc(F)c(F)cc4nc3Cl)c2cc1F ZINC000059151054 JK Annotated Anodyne COc1cc(Nc2cc(C(F)(F)F)cn([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000059151137 JK Annotated Anodyne C1=C/Cc2ccc[n+](c2)CCCCCCCC/C=C/Cc2ccc[n+](c2)CCCCCCCC/1 ZINC000059151567 JK Annotated Anodyne C=C1C[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)N(C)C)[C@@H]2CC[C@H]3C[C@H](N(C)C(=O)c4ccccc4)CC[C@]3(C)[C@@H]12 ZINC000059171208 JK Annotated Mild CC1(C)CCC2=C(O1)c1c(c3c(c4c1OC(C)(C)CC4)OC(C)(C)CC3)O/C2=C1/C=CC(=O)C=C1O ZINC000059171624 JK Annotated Mild C=CCc1ccc(Oc2cc(CC=C)cc(OC)c2Oc2cc(CC=C)cc(OC)c2O)c(OC)c1 ZINC000059182637 JK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000059184092 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)[C@@H]4O[C@]45[C@@H](CCC(=O)C5(C)C)[C@]3(C=O)CC[C@]12C ZINC000059205213 JK Annotated Anodyne C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000059205216 JK Annotated Anodyne CO[C@@H]1O[C@]23CC(=O)[C@H]4[C@]5(C)CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]5(C)CC[C@@]41[C@@H]2CCC(=O)C3(C)C ZINC000059205218 JK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000059205483 JK Annotated Anodyne CCO[C@@H]1O[C@]23CC(=O)[C@H]4[C@]5(C)CC[C@H]([C@H](C)CC(C)=O)[C@@]5(C)CC[C@@]41[C@@H]2CCC(=O)C3(C)C ZINC000059205487 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000059205490 JK Annotated Anodyne CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000059206169 JK Annotated Anodyne in-vitro CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000059206171 JK Annotated Anodyne in-vitro C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CC[C@]1(C)[C@@H](C)CC=C2[C@@H]1CCCC2(C)C ZINC000059207339 JK Annotated Anodyne in-vitro C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CC[C@]1(C)[C@@H](C)CC=C2[C@H]1CCCC2(C)C ZINC000059207342 JK Annotated Anodyne in-vitro C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F ZINC000059240272 JK Annotated Anodyne C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F ZINC000059240274 JK Annotated Anodyne O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12 ZINC000059242868 JK Annotated Anodyne O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12 ZINC000059242870 JK Annotated Anodyne O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12 ZINC000059243214 JK Annotated Anodyne O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12 ZINC000059243215 JK Annotated Anodyne COC(=O)c1sc2ccccc2c1NC(=O)CCSc1ccc(Br)cc1 ZINC000059256238 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000059256383 JK Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000059256384 JK Annotated Anodyne Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 ZINC000059260219 JK Annotated Anodyne Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 ZINC000059260221 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(CCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059275252 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(CCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059275253 JK Annotated Anodyne CN(C)C12C[C@H](OC(=O)CCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000059275640 JK Annotated Anodyne CCC[C@@H]1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)O)c1 ZINC000059278736 JK Annotated Anodyne CCC[C@H]1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)O)c1 ZINC000059278739 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(C)c2cc(F)cc(F)c2)c1 ZINC000059280247 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(C)c2cc(F)cc(F)c2)c1 ZINC000059280251 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059285890 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059285894 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@@H](C(F)(F)F)NC2)c1 ZINC000059286294 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(C(=O)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059286813 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(C(=O)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059286814 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(C#Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059287956 JK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(C#Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059287958 JK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(/C=C/c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059297553 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(/C=C/c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059297556 JK Annotated Anodyne Clc1ccc(CN(C[C@H]2CCCO2)[C@@H](c2cccs2)c2nnnn2C2CCCC2)cc1 ZINC000059402172 JK Annotated Anodyne CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3cccc(Br)c3)N2)c1O ZINC000059524365 JK Annotated Anodyne CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3cccc(Br)c3)N2)c1O ZINC000059524366 JK Annotated Anodyne CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3cccc(Br)c3)N2)c1O ZINC000059524367 JK Annotated Anodyne CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3cccc(Br)c3)N2)c1O ZINC000059524369 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000059585766 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000059585987 JK Annotated Anodyne COc1cc2oc3c(C)c(=O)cc4oc(-c5ccccc5)cc(c2c2c1C=C[C@@H](c1ccccc1)O2)c43 ZINC000059586224 JK Annotated Bother in-vitro biogenic COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2ccc3cc(O)ccc3c12 ZINC000059586279 JK Annotated Bother in-vitro biogenic C/C(=C/CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000059586291 JK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000059586546 JK Annotated Anodyne in-vitro biogenic COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]1CC4 ZINC000059587740 JK Annotated Anodyne in-vitro biogenic C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000059587847 JK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)C(=C1CC(C)(C)C(=O)C2)C=C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC[C@]13C ZINC000059588523 JK Annotated Anodyne in-vitro biogenic CC1(C)CC2=C3C=C[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@H]1O ZINC000059588926 JK Annotated Anodyne in-vitro biogenic CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000059589111 JK Annotated Anodyne in-vitro biogenic CC1(C)CC2=C3C=C[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@]23C(=O)O[C@@H]3[C@H]1O ZINC000059589284 JK Annotated Anodyne in-vitro biogenic CO/C(C)=C1/CC[C@](C)(O)[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]1CCCO ZINC000059589328 JK Annotated Anodyne in-vitro biogenic C[C@]1(CCc2ccccc2)N=C(Nc2ccc(Cl)cc2)N=C(N)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000059686615 JK Annotated Anodyne C[C@]1(CCc2ccccc2)N=C(Nc2ccc(Cl)cc2)N=C(N)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000059686618 JK Annotated Anodyne CC/C(=C(/CC)c1ccc(O)c(CNC2CCCCC2)c1)c1ccc(O)c(CNC2CCCCC2)c1 ZINC000059686632 JK Annotated Clean Cc1cc(OCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000059717878 JK Annotated Bother Cc1cc(OCCCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl ZINC000059717926 JK Annotated Bother Cc1cc(OCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000059718202 JK Annotated Bother Cc1cc(OCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000059718447 JK Annotated Bother Cc1cc(OCCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000059719541 JK Annotated Bother Cc1cc(OCCCCCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl ZINC000059719588 JK Annotated Bother Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3C(C)C)O[C@@H](c1ccccc1)CC2=O ZINC000059775885 JK Annotated Mild CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c3c(c2O)C(=O)C[C@H](c2ccccc2)O3)c(O)c1C ZINC000059776079 JK Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c(O)c1C ZINC000059776084 JK Annotated Anodyne COc1ccc([C@H](C)C(=O)c2ccc(O[C@@]3(C)CC[C@@H](C(C)C)[C@H]4C=C(C)CC[C@H]43)cc2O)cc1 ZINC000059778221 JK Annotated Anodyne COc1ccc([C@H](C)C(=O)c2ccc(O[C@@]3(C)CC[C@@H](C(C)C)[C@@H]4C=C(C)CC[C@H]43)cc2O)cc1 ZINC000059778226 JK Annotated Anodyne COc1ccc([C@H](C)C(=O)c2ccc(O[C@@]3(C)CC[C@H](C(C)C)[C@H]4C=C(C)CC[C@H]43)cc2O)cc1 ZINC000059778231 JK Annotated Anodyne COc1ccc([C@H](C)C(=O)c2ccc(O[C@@]3(C)CC[C@H](C(C)C)[C@@H]4C=C(C)CC[C@H]43)cc2O)cc1 ZINC000059778239 JK Annotated Anodyne CC1(C)C/C(=C/[C@H]2[C@H]3[C@](C)(C[C@H]2O)[C@@H](Br)CC[C@@]3(C)O)CC[C@@H]1Br ZINC000059779408 JK Annotated Reactive CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000059779499 JK Annotated Anodyne C=C1C=C2C[C@]3(C)CC[C@@H]4[C@@](C)(CO)CCC[C@]4(C)[C@@H]3C[C@@H](O)[C@@H]2[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]12 ZINC000059779645 JK Annotated Anodyne C=C1C=C2C[C@]3(C)CC[C@H]4[C@@](C)(CO)CCC[C@]4(C)[C@@H]3C[C@@H](O)[C@@H]2[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]12 ZINC000059779651 JK Annotated Anodyne C=C1C=C2C[C@]3(C)CC[C@@H]4[C@@](C)(CO)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@@H]2[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]12 ZINC000059779658 JK Annotated Anodyne C=C1C=C2C[C@]3(C)CC[C@H]4[C@@](C)(CO)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@@H]2[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]12 ZINC000059779662 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000059779679 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@H](O)CC[C@@]54C)CC3=CC(=O)[C@@H]12 ZINC000059779681 JK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000059779691 JK Annotated Mild in-vitro biogenic C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000059779694 JK Annotated Mild C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)C(=C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C ZINC000059779699 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000059786084 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000059786087 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000059786090 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000059786093 JK Annotated Mild CCOC(=O)N/N=C1/C=C2C=C[C@H]3[C@@H]4C[C@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000059790808 JK Annotated Reactive CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000059796543 JK Annotated Reactive CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H]5OO[C@@]6(O5)[C@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000059796544 JK Annotated Reactive CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000059796545 JK Annotated Reactive CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C[C@@H]5OO[C@@]6(O5)[C@@H](CCCC6(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000059796546 JK Annotated Reactive CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1ccc1ccc(Cl)cc12 ZINC000059796650 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1ccc1ccc(Cl)cc12 ZINC000059796651 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2cc3c(Cl)cccc3cc12 ZINC000059796700 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2cc3c(Cl)cccc3cc12 ZINC000059796701 JK Annotated Mild COc1ccc([C@H]2/C=C/CN(Cc3ccc(N(C)C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059807858 JK Annotated Clean CCCCCCCN(CCCCCCC)C[C@H](O)c1c2ccccc2c(Cl)c2ccccc12 ZINC000059816840 JK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1c2ccccc2c(Cl)c2ccccc12 ZINC000059816845 JK Annotated Mild COc1ccc([C@H]2/C=C/CN(C(=O)CC(C)(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059888594 JK Annotated Anodyne CCCCCCCCCCCCN1[C@@H](CC(C)=O)c2cc(C(F)(F)F)ccc2S1(=O)=O ZINC000059888990 JK Annotated Mild COc1ccc([C@H]2/C=C/CN(C(=O)c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059889329 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@H]1c1ccccc1 ZINC000006001940 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@H]1c1ccccc1 ZINC000006001941 JK Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2CCCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12CCCCC2 ZINC000006001983 JK Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2CCCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12CCCCC2 ZINC000006001985 JK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)[C@]12N(Cc1ccccc1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000006002011 JK Annotated Anodyne COC(=O)C[P@]1(=O)O[C@H]2[C@@H]([C@@H]3CC[C@@]2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006002086 JK Annotated Anodyne Cc1cc2c(O)c(c1)COCc1cc(C)cc(c1O)COCc1cc(C)cc(c1O)COC2 ZINC000006002587 JK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2cccc(Cl)c2)cc(OC)c1OC ZINC000006003749 JK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2cccc(Cl)c2)cc(OC)c1OC ZINC000006003751 JK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000006003753 JK Annotated Bother COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000006003756 JK Annotated Bother COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000006003757 JK Annotated Bother COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000006003761 JK Annotated Bother COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000006003763 JK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000006003766 JK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccccc2Cl)cc(OC)c1OC ZINC000006003768 JK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccccc2Cl)cc(OC)c1OC ZINC000006003770 JK Annotated Anodyne CC1CCOc2ccc(cc2)/C=N\c2ccc(cc2)-c2ccc(cc2)/N=C\c2ccc(cc2)OCC1 ZINC000006004719 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C1/[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000006005007 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C1/[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000006005010 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C1/[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000006005013 JK Annotated Anodyne Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3[C@]2(O)c2cccc(C(F)(F)F)c2)cc1 ZINC000006005231 JK Annotated Anodyne O=C1Oc2cc3c(c4cccc1c24)O[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000006005399 JK Annotated Anodyne Cc1ccc2c(c1)C[C@]1(C2=O)[C@H](c2ccccc2)[C@H]2C(=O)c3ccc(C)cc3[C@H]2[C@H]1c1ccccc1 ZINC000006005476 JK Annotated Anodyne Cc1ccc2c(c1)C[C@]1(C2=O)[C@H](c2ccccc2)[C@H]2C(=O)c3ccc(C)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000006005480 JK Annotated Anodyne Cc1ccc2c(c1)C[C@@]1(C2=O)[C@H](c2ccccc2)[C@H]2C(=O)c3ccc(C)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000006005481 JK Annotated Anodyne O=C1CS[C@@H](c2ccccc2O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000006006371 JK Annotated Clean O=C1CS[C@@H](c2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000006006376 JK Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006377 JK Annotated Anodyne C(=C(c1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000006006465 JK Annotated Anodyne C(=C(c1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1)c1ccccc1 ZINC000006006470 JK Annotated Anodyne O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2c(ccc3ccccc32)oc1=O ZINC000006006861 JK Annotated Bother COC(CN(C(=O)c1ccccc1)[C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC ZINC000006006910 JK Annotated Anodyne O=P1([C@H](O)/C=C/c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1 ZINC000006009861 JK Annotated Anodyne O=P1([C@@H](O)/C=C/c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1 ZINC000006009862 JK Annotated Anodyne CO[P@](=O)([C@@H](/C=C/c1ccccc1)OC(C)=O)[C@@H]1CCCC[C@H]1N(CC(C)(C)C)C(C)=O ZINC000006009873 JK Annotated Anodyne CO[P@](=O)([C@H](/C=C/c1ccccc1)OC(C)=O)[C@@H]1CCCC[C@H]1N(CC(C)(C)C)C(C)=O ZINC000006009874 JK Annotated Anodyne C[C@@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5cccc6cc7ccccc7nc56)[C@H]4CC[C@@H]3[C@H]21 ZINC000006009951 JK Annotated Anodyne COC(=O)C1=C2SCc3cccc(c3)CSC3=C(C(=O)OC)S/C(=C(/S2)S1)S3 ZINC000006010033 JK Annotated Anodyne CC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@@]1(C)CC[C@@]1(C)C[C@](C)(CCC=C(C)C)CC[C@]21C ZINC000006010087 JK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)cc1 ZINC000006010091 JK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c1 ZINC000006010098 JK Annotated Anodyne C1#Cc2ccccc2OCCOc2ccccc2C#Cc2ccccc2OCCOc2ccccc21 ZINC000006010117 JK Annotated Mild N#CC(C#N)=C1/C(=C/C=C/C=C/C=C/c2ccc(N3CCCCC3)s2)S(=O)(=O)c2ccccc21 ZINC000006010223 JK Annotated Reactive COc1cc(OC)c(-c2ccc(OCc3ccccc3)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2 ZINC000006010334 JK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@H]1CC=CC(=O)O1 ZINC000006010338 JK Annotated Anodyne in-vitro Cc1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2)c(S)cc1Cl ZINC000006013603 JK Annotated Anodyne Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(NC[C@@]2(CO)CC[C@@H](CCc3ccccc3)C2)n1 ZINC000006018550 JK Annotated Clean Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(NC[C@@]2(CO)CC[C@H](CCc3ccccc3)C2)n1 ZINC000006018554 JK Annotated Clean Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(NC[C@]2(CO)CC[C@@H](CCc3ccccc3)C2)n1 ZINC000006018557 JK Annotated Clean Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(NC[C@]2(CO)CC[C@H](CCc3ccccc3)C2)n1 ZINC000006018560 JK Annotated Clean COC(=O)c1sc2c(c1C(=O)OC)/C(=N/c1ccc(OC)cc1)S/C2=N\c1ccc(OC)cc1 ZINC000006018699 JK Annotated Mild O=c1c(/C=C/c2c(O)ccc3ccccc23)nnc2sc(-c3cccc(Br)c3)nn12 ZINC000006018761 JK Annotated Anodyne COc1ccc(C2=Nn3c(C)nnc3S/C2=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000006018855 JK Annotated Bother CCOC(=O)C[C@H](C)[C@](C#N)(O[P@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000006019332 JK Annotated Anodyne COc1ccc(OC)c2sc(N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)N=C3c3ccccc3)nc12 ZINC000006019441 JK Annotated Clean COc1ccc(OC)c2sc(N3C(=O)/C(=C/c4ccc(SC)cc4)N=C3c3ccccc3)nc12 ZINC000006019444 JK Annotated Clean COc1ccc(OC)c2sc(N3C(=O)/C(=C/c4ccccc4S)N=C3c3ccccc3)nc12 ZINC000006019448 JK Annotated Clean O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2c(Cl)cc(Cl)cc2s1 ZINC000006019460 JK Annotated Clean O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1nc2c(Cl)cc(Cl)cc2s1 ZINC000006019461 JK Annotated Clean O=C1/C(=C/Cc2ccco2)N=C(c2ccccc2)N1c1nc2c(Cl)cc(Cl)cc2s1 ZINC000006019462 JK Annotated Anodyne O=C1/C(=C/c2ccccc2S)N=C(c2ccccc2)N1c1nc2c(Cl)cc(Cl)cc2s1 ZINC000006019466 JK Annotated Clean COc1cc(/C=C2\N=C(c3ccccc3)N(/N=C/c3cc4cc(C)ccc4nc3Cl)C2=O)ccc1O ZINC000006019483 JK Annotated Mild Cc1ccc2nc(Cl)c(/C=N/N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)N=C3c3ccccc3)cc2c1 ZINC000006019484 JK Annotated Mild Cc1ccc2nc(Cl)c(/C=N/N3C(=O)/C(=C/Cc4ccco4)N=C3c3ccccc3)cc2c1 ZINC000006019485 JK Annotated Mild CSc1ccc(/C=C2\N=C(c3ccccc3)N(/N=C/c3cc4cc(C)ccc4nc3Cl)C2=O)cc1 ZINC000006019486 JK Annotated Mild Cc1ccc2nc(Cl)c(/C=N/N3C(=O)/C(=C/c4ccccc4S)N=C3c3ccccc3)cc2c1 ZINC000006019488 JK Annotated Mild O=C1C(=C(I)I)c2ccccc2-c2ccccc21 ZINC000006019846 JK Annotated Mild COc1ccc(/C=C2\Sc3nnc(C)n3N=C2c2cc(F)c(Cl)cc2Cl)cc1OC ZINC000006019984 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000006020004 JK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccccc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000006020010 JK Annotated Anodyne COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020249 JK Annotated Anodyne COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020250 JK Annotated Anodyne COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020251 JK Annotated Anodyne COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020252 JK Annotated Anodyne CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1 ZINC000006023702 JK Annotated Bother CCC[C@H](N[S@](=O)c1ccc(C)cc1)C(C(=O)OCC)=C(c1ccccc1)c1ccccc1 ZINC000006040162 JK Annotated Anodyne c1cc(-c2ccc(-c3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3)o2)ccc1C1=N[C@@H]2CCCC[C@@H]2N1 ZINC000006040283 JK Annotated Anodyne c1cc(-c2ccc(-c3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3)o2)ccc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000006040284 JK Annotated Anodyne c1cc(-c2ccc(-c3ccc(C4=N[C@@H]5CCCC[C@H]5N4)cc3)o2)ccc1C1=N[C@@H]2CCCC[C@@H]2N1 ZINC000006040285 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N(C(=S)OC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006040294 JK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N(C(=S)OC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006040295 JK Annotated Anodyne COc1cc(C(=O)N(C(=S)OC23CC4CC(CC(C4)C2)C3)c2ccccc2)cc(OC)c1OC ZINC000006040296 JK Annotated Anodyne C=C[C@H]1CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000006040346 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000006040658 JK Annotated Mild in-vitro biogenic O=C(c1cccnc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000006040662 JK Annotated Anodyne CCn1c(S)nnc1-c1ccc(N/N=N/c2ccc(-c3n[nH]c(=S)n3CC)cc2)cc1 ZINC000006040686 JK Annotated Clean C=CCn1c(S)nnc1-c1ccc(N/N=N/c2ccc(-c3n[nH]c(=S)n3CC=C)cc2)cc1 ZINC000006040687 JK Annotated Mild O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1c1cc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000006040769 JK Annotated Clean CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccc(O)c(OC)c4)N=C3c3ccccc3)cc2c1 ZINC000006040772 JK Annotated Clean CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccc(SC)cc4)N=C3c3ccccc3)cc2c1 ZINC000006040773 JK Annotated Clean O=C1CS[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(Cl)cc1 ZINC000006040793 JK Annotated Anodyne O=C1CS[C@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000006040795 JK Annotated Anodyne O=C1CS[C@@](CC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000006040847 JK Annotated Anodyne COc1ccc(/C=C2\C[C@H]3[C@@H]4CCC5=C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000006040882 JK Annotated Anodyne O=[N+]([O-])c1ccc(S[C@H]2[C@H]3C[C@@H](Cl)[C@@H]2c2c(-c4ccccc4)[nH]c(-c4ccccc4)c23)cc1 ZINC000006040970 JK Annotated Reactive O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@H](c3ccccc3Br)[C@@H]1CCC2 ZINC000006041296 JK Annotated Bother O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@@H](c3ccccc3Br)[C@@H]1CCC2 ZINC000006041297 JK Annotated Bother O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@H](c3ccccc3Br)[C@H]1CCC2 ZINC000006041298 JK Annotated Bother O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@@H](c3ccccc3Br)[C@H]1CCC2 ZINC000006041299 JK Annotated Bother CC1(C)OC[C@@H]([C@@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC=CC(=O)O2)O1 ZINC000006041316 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N5CCCC5)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2O ZINC000006041359 JK Annotated Bother O=C1CS[C@@H](c2cccc(Cl)c2)N1c1c(O)c(Cl)cc(Br)c1Cl ZINC000006041396 JK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(-c3cc(C(F)(F)F)ccn3)c3cc(Br)ccc32)cc1 ZINC000006041446 JK Annotated Anodyne CC1(C)O[C@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)[C@H](C(=O)N2CCCCC2)O1 ZINC000006041707 JK Annotated Bother CC1(C)O[C@@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)[C@H](C(=O)N2CCCCC2)O1 ZINC000006041708 JK Annotated Bother CC1(C)O[C@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)[C@@H](C(=O)N2CCCCC2)O1 ZINC000006041709 JK Annotated Bother CC1(C)O[C@H](C(=O)N2CCCCC2)[C@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)O1 ZINC000006041710 JK Annotated Bother O=C1C=CC2(O[C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)O2)[C@@H](SC(=O)c2ccccc2)C1 ZINC000006041741 JK Annotated Mild O=C1C=CC2(O[C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)O2)[C@H](SC(=O)c2ccccc2)C1 ZINC000006041742 JK Annotated Mild O=C1C=CC2(O[C@H](C3CCCCC3)[C@@H](C3CCCCC3)O2)[C@H](SC(=O)c2ccccc2)C1 ZINC000006041747 JK Annotated Mild O=C1C=CC2(O[C@H](C3CCCCC3)[C@@H](C3CCCCC3)O2)[C@@H](SC(=O)c2ccccc2)C1 ZINC000006041748 JK Annotated Mild CCN1C(=CC2=C/C(=C/c3ccc4ccccc4[n+]3CC)CC(C)(C)C2)Sc2ccccc21 ZINC000006134653 JK Annotated Anodyne CN(C)c1ccc(C(/C=C2\C=C(c3ccccc3)C=C(c3ccccc3)O2)=C2C=CC(=[N+](C)C)C=C2)cc1 ZINC000006135786 JK Annotated Mild CC(C)n1c(O)c(/N=N\C(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000006146056 JK Annotated Clean CCN(CC)CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000006193022 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)[C@@H]2C(=O)C[C@@H](c3ccco3)CC2=N1 ZINC000006492441 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)[C@@H]2C(=O)C[C@@H](c3ccco3)CC2=N1 ZINC000006492442 JK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC(C)=O ZINC000060025381 JK Annotated Mild O=C1CC[C@H](CC/C(=C/C[C@@H](C(=O)O)N2CCOCC2)OCc2ccc(-c3ccccc3)cc2)C1 ZINC000060027386 JK Annotated Anodyne in-vitro O=C1CC[C@H](CC/C(=C/C[C@H](C(=O)O)N2CCOCC2)OCc2ccc(-c3ccccc3)cc2)C1 ZINC000060027387 JK Annotated Anodyne in-vitro C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000060044745 JK Annotated Mild CC/C(=C\C=C\[C@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000060183239 JK Annotated Anodyne in-vitro CC/C(=C\C=C\[C@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000060184332 JK Annotated Anodyne in-vitro C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@@H]2OC(C)=O)CCC[C@H]1C ZINC000060275558 JK Annotated Reactive C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2OC(C)=O)CCC[C@H]1C ZINC000060275565 JK Annotated Reactive CC(C)c1ccc(S(=O)(=O)n2c3c(c4cc(Br)ccc42)C[C@@H](N(C)C)CC3)cc1 ZINC000060325701 JK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)n2c3c(c4cc(Br)ccc42)C[C@H](N(C)C)CC3)cc1 ZINC000060325702 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000607715773 JK Annotated Mild Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061695502 JK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000061695573 JK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000061695574 JK Annotated Mild FC(F)(F)c1cc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)cc(C(F)(F)F)c1 ZINC000061711140 JK Annotated Anodyne CCn1c2ccccc2c2cc(/N=C3/S[C@H](CC(=O)Nc4ccccc4OC)C(=O)N3C)ccc21 ZINC000061880698 JK Annotated Mild CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061895656 JK Annotated Anodyne Cn1c(NCc2ccc3occc3c2)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O ZINC000061895778 JK Annotated Anodyne COc1ccc(-c2cc(CNc3nc(NCc4ccccc4OC)nc4ccsc34)on2)cc1 ZINC000061896054 JK Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061896097 JK Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061896098 JK Annotated Anodyne O=C(Nc1nc(OCCN2CCCC2=O)cnc1/C=C\c1ccccc1)c1cc2ccccc2s1 ZINC000061896125 JK Annotated Anodyne CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061896356 JK Annotated Anodyne CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061897051 JK Annotated Anodyne CCc1nc2c(OCc3ccc(OC(F)F)cc3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061897450 JK Annotated Anodyne CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061897581 JK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061897629 JK Annotated Anodyne COc1ccc(-c2cc(CNc3nc4cc(-c5ccccc5C)sc4c(=O)n3C)on2)cc1 ZINC000061898763 JK Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)c1 ZINC000061898801 JK Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)c1 ZINC000061898802 JK Annotated Anodyne CCc1nc2ccc(C(=O)NC(C)(C)C)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061902274 JK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)Cc1nccs1 ZINC000061902656 JK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1 ZINC000061902819 JK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1 ZINC000061902820 JK Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn12 ZINC000061902835 JK Annotated Anodyne Cc1c(C(=O)NCc2ccccc2C(F)(F)F)sc(=O)n1Cc1ccc2ccccc2c1 ZINC000061902845 JK Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061903003 JK Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061903004 JK Annotated Anodyne c1ccc(-c2cc3nc(NCc4cccs4)nc(NCc4ccc5occc5c4)c3s2)cc1 ZINC000061903122 JK Annotated Anodyne C[C@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061903213 JK Annotated Anodyne C[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061903214 JK Annotated Anodyne Cc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061903606 JK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000061903799 JK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000061903800 JK Annotated Anodyne N[C@@H](c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1)c1ccccc1Cl ZINC000061904205 JK Annotated Anodyne N[C@H](c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1)c1ccccc1Cl ZINC000061904207 JK Annotated Anodyne CCc1nc2c(OCc3ccc(Cl)cc3Cl)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061904307 JK Annotated Anodyne FC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4ccc5ccccc5c4)cnc23)c1 ZINC000061904356 JK Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)c1 ZINC000061904444 JK Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)c1 ZINC000061904445 JK Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)on1 ZINC000061904601 JK Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)on1 ZINC000061904602 JK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904753 JK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904754 JK Annotated Anodyne O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061904838 JK Annotated Anodyne O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061904839 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)cc1 ZINC000061904954 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)cc1 ZINC000061904956 JK Annotated Anodyne COc1ccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3C)on2)c(C)c1 ZINC000061905138 JK Annotated Anodyne COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C)on2)c(C)c1 ZINC000061905139 JK Annotated Anodyne COCCNc1nc(NCCOc2ccccc2Cl)c2sc(-c3ccccc3)cc2n1 ZINC000061905393 JK Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061905394 JK Annotated Anodyne O/C(=N\c1ccc2c(c1)OCO2)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061905395 JK Annotated Mild N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 ZINC000061905832 JK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 ZINC000061905833 JK Annotated Anodyne CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061906117 JK Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C)Cc1ccc(N(C)C)cc1 ZINC000061906300 JK Annotated Clean CCCCNC(=O)[C@]1(C)CCCCCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061906567 JK Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061906568 JK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2c1N(C)CCCc1ccccc1 ZINC000061906608 JK Annotated Anodyne CN(C)c1ccc(CNC(=O)[C@@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)cc1 ZINC000061906701 JK Annotated Clean CN(C)c1ccc(CNC(=O)[C@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)cc1 ZINC000061906702 JK Annotated Clean CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061906703 JK Annotated Anodyne CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061906921 JK Annotated Anodyne C[C@]1(/C(O)=N/c2cccc(OC(F)(F)F)c2)Cc2c(-c3cccc(C(=N)O)c3)ccnc2O1 ZINC000061907016 JK Annotated Mild C[C@@]1(/C(O)=N/c2cccc(OC(F)(F)F)c2)Cc2c(-c3cccc(C(=N)O)c3)ccnc2O1 ZINC000061907017 JK Annotated Mild CCSc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)cc1 ZINC000061907059 JK Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061907290 JK Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061907291 JK Annotated Anodyne O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000061907413 JK Annotated Anodyne O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000061907414 JK Annotated Anodyne CN(C)c1ccc(NC(=S)Nc2ccc3c(c2)c(=O)n(C)n3-c2ccc(C(C)(C)C)cc2)cc1 ZINC000061907604 JK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)CCC(C)C ZINC000061907893 JK Annotated Anodyne COc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(F)(F)F)c4)n3c2)cc(OC)c1OC ZINC000061907969 JK Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C)C(=O)c1cccs1 ZINC000061908007 JK Annotated Anodyne CCc1nc2c(OCc3ccc(OC(F)F)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061908052 JK Annotated Anodyne CN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2)c1COc1ccc2ccccc2c1 ZINC000061908137 JK Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061908494 JK Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061908495 JK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061908498 JK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061908499 JK Annotated Anodyne FC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4cccc5ccccc45)cnc23)c1 ZINC000061908555 JK Annotated Anodyne COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(F)(F)F)c4)cn23)cc(OC)c1OC ZINC000061908627 JK Annotated Anodyne COc1ccc(-c2cc(CNc3nc(NC(C)C)nc4cc(-c5ccccc5)sc34)on2)cc1 ZINC000061908638 JK Annotated Anodyne Cc1nc2c(OCc3ccc(OC(F)F)cc3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061908649 JK Annotated Anodyne CN(C)c1ccc(CC(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccc(C(C)(C)C)cc4)no3)C2)cc1 ZINC000061908845 JK Annotated Anodyne CN(C)c1ccc(CC(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccc(C(C)(C)C)cc4)no3)C2)cc1 ZINC000061908846 JK Annotated Anodyne CC(C)N1C[C@@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061920887 JK Annotated Anodyne CC(C)N1C[C@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061920888 JK Annotated Anodyne CC(C)N1C[C@@]2(CC(c3ccc(Cl)cc3Cl)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061920889 JK Annotated Anodyne CC(C)N1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061920890 JK Annotated Anodyne Cc1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn23)cc1 ZINC000061921034 JK Annotated Anodyne O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1nccs1 ZINC000061921151 JK Annotated Anodyne O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000061921154 JK Annotated Bother O=C(NCC1=C(c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000061921155 JK Annotated Bother Cc1ncoc1C(=O)NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1 ZINC000061921157 JK Annotated Anodyne Cc1ncoc1C(=O)NCC1=C(c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2Cc1ccco1 ZINC000061921159 JK Annotated Anodyne O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1cccs1 ZINC000061921174 JK Annotated Anodyne O=C(NCC1=C(c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1cccs1 ZINC000061921176 JK Annotated Anodyne O=C(NCc1ccc(F)cc1)N1[C@H]2CC[C@@H]1C=C(c1ccc(F)cc1OCc1ccccc1)C2 ZINC000061921179 JK Annotated Anodyne O=C(NCCOc1ccccc1)N1[C@H]2CC[C@@H]1C=C(c1ccc(F)cc1OCc1ccccc1)C2 ZINC000061921181 JK Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(CC)CC)=C1C ZINC000061921496 JK Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(CC)CC)=C1C ZINC000061921497 JK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061921505 JK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061921506 JK Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921676 JK Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921677 JK Annotated Anodyne c1ccc(COc2ncnc3c2ncn3CCCNCC(c2ccccc2)c2ccccc2)cc1 ZINC000061922678 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923016 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923151 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(c2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000061923252 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000061923253 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000061923255 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1 ZINC000061923285 JK Annotated Anodyne Cc1ccc(C(C)C)cc1-n1nnc(-c2cccc(Cc3ccc4ccccc4c3)c2)c1[C@@H](C)O ZINC000061923324 JK Annotated Anodyne Cc1ccc(C(C)C)cc1-n1nnc(-c2cccc(Cc3ccc4ccccc4c3)c2)c1[C@H](C)O ZINC000061923325 JK Annotated Anodyne Cc1cc(-c2nnn(CCCOC(C)(C)C)c2C)ccc1-c1cn(CCCOC(C)(C)C)nn1 ZINC000061923327 JK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061923549 JK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061923551 JK Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923649 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923653 JK Annotated Anodyne O[C@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923660 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923666 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923667 JK Annotated Anodyne O[C@H]1C[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923669 JK Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923760 JK Annotated Anodyne CCCCCCN1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923776 JK Annotated Anodyne CCCCCCN1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923785 JK Annotated Anodyne CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923787 JK Annotated Anodyne O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923790 JK Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000061923824 JK Annotated Anodyne O[C@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923834 JK Annotated Anodyne CCCCCCN1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923841 JK Annotated Anodyne CCCCCCN1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923842 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923887 JK Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000061923925 JK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923945 JK Annotated Anodyne CCCCCCN1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923953 JK Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923955 JK Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3cccc4ccccc34)[C@H](c3ccc(-c4ccccc4)cc3)C[C@@H]21 ZINC000061924003 JK Annotated Anodyne CN1OC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)[C@H](c3cccc(-c4ccc(C#N)cc4)c3)C[C@@H]21 ZINC000061924025 JK Annotated Mild O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3Cc4ccccc4-n4nncc4C3)ccc12 ZINC000061924063 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3Cc4ccccc4-n4nncc4C3)ccc12 ZINC000061924066 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(/C=C/CCCSc3ncccn3)ccc12 ZINC000061924079 JK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(/C=C/CCCSc3ncccn3)ccc12 ZINC000061924081 JK Annotated Anodyne CN1OC[C@@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H](c3ccc(-c4cccc(F)c4)cc3)C[C@@H]21 ZINC000061924153 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000061924208 JK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000061924209 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000061924274 JK Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000061924277 JK Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000061924293 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000061924294 JK Annotated Anodyne Cc1cccc(CN2[C@@H](C)[C@H](c3ccccc3)Oc3cc(Br)ccc3S2(=O)=O)c1 ZINC000061924296 JK Annotated Anodyne CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1cccc2c1sc1ccccc12 ZINC000061924407 JK Annotated Anodyne CC(=O)Nc1cc(-c2cccc(C(=O)N(C)C)c2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061925513 JK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C=O)CCC(C)C ZINC000061925674 JK Annotated Anodyne CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C=O)Cc1ccccc1 ZINC000061925688 JK Annotated Anodyne CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061925870 JK Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061925901 JK Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccccc5Oc5ccccc5)cn34)c2)CC1 ZINC000061926008 JK Annotated Anodyne CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)c1ccncc1 ZINC000061926070 JK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061926090 JK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061926091 JK Annotated Anodyne C[C@@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 ZINC000061926158 JK Annotated Anodyne C[C@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 ZINC000061926159 JK Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3cccc4c3CCCC4)no2)cc1 ZINC000061926164 JK Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3cccc4c3CCCC4)no2)cc1 ZINC000061926165 JK Annotated Anodyne COc1cccc(CNc2nc3cc(-c4cccc(C(F)(F)F)c4)sc3c(=O)n2C)c1OC ZINC000061926480 JK Annotated Anodyne CCc1nc2ccc(C(=O)N(C)C(C)C)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061926679 JK Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C)C(=O)c1ccncc1 ZINC000061926748 JK Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000061926940 JK Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000061926941 JK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)c2cc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)on2)cc1 ZINC000061927515 JK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)c2cc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)on2)cc1 ZINC000061927516 JK Annotated Anodyne FC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4cccc5cccnc45)cnc23)c1 ZINC000061927575 JK Annotated Anodyne C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061928532 JK Annotated Anodyne C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061928535 JK Annotated Anodyne COc1ccc(-c2cc(NC(C)=O)c3ncc(-c4cccc(C(F)(F)F)c4)n3c2)c(OC)c1 ZINC000061928590 JK Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 ZINC000061928888 JK Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 ZINC000061928889 JK Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn12 ZINC000061929861 JK Annotated Anodyne O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(Cc2cccs2)CC1 ZINC000061930630 JK Annotated Anodyne O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(Cc2cccs2)CC1 ZINC000061930633 JK Annotated Anodyne CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061930788 JK Annotated Anodyne CCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061930791 JK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3)c2S1(=O)=O ZINC000061931190 JK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3)c2S1(=O)=O ZINC000061931193 JK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccccc3)c2S1(=O)=O ZINC000061931214 JK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccccc3)c2S1(=O)=O ZINC000061931216 JK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(OC)cc3)c2S1(=O)=O ZINC000061931217 JK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(OC)cc3)c2S1(=O)=O ZINC000061931220 JK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(C)cc3)c2S1(=O)=O ZINC000061931237 JK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(C)cc3)c2S1(=O)=O ZINC000061931238 JK Annotated Anodyne CN1OC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)[C@H](c3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000061942661 JK Annotated Anodyne COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2Cc2cc(Cl)cc(Cl)c2)c1 ZINC000061942664 JK Annotated Anodyne Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2Cc2cc(Cl)cc(Cl)c2)c1 ZINC000061942667 JK Annotated Anodyne CN1OC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)[C@H](c3cccc(-c4ccccc4)c3)C[C@@H]21 ZINC000061942671 JK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000061943053 JK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000061943055 JK Annotated Anodyne CN1OC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)[C@H](c3cccc(Br)c3)C[C@@H]21 ZINC000061943073 JK Annotated Anodyne C=CCOC1=CS(=O)(=O)N(Cc2ccc(Br)cc2)c2ccc(Br)cc21 ZINC000061943362 JK Annotated Mild CCCCCCN1C(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC=C[C@H]1C(C)C ZINC000061945316 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947010 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947011 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947012 JK Annotated Anodyne CCc1ccc([C@H]2C(C(=O)O)=C[C@@H](CC3CCCC3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947034 JK Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947044 JK Annotated Anodyne CCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947045 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)C(C(=O)O)=C[C@H]2CC2CCCC2)cc1 ZINC000061947047 JK Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)c(Cl)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947048 JK Annotated Anodyne CCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)c(Cl)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947049 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 ZINC000061947051 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000061947061 JK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947065 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947066 JK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947068 JK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3cccc(C)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947069 JK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccc(C(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947070 JK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3cccs3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947071 JK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947077 JK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947079 JK Annotated Anodyne Clc1ccc(CN(C[C@@H]2CCCO2)[C@@H](c2cccs2)c2nnnn2C2CCCC2)cc1 ZINC000061947599 JK Annotated Anodyne Clc1ccc(CN(C[C@@H]2CCCO2)[C@H](c2cccs2)c2nnnn2C2CCCC2)cc1 ZINC000061947600 JK Annotated Anodyne C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000061948705 JK Annotated Mild C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C ZINC000061948710 JK Annotated Mild C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C ZINC000061948712 JK Annotated Mild CC(C)(C)CNC(=O)c1cccc2c1C(=O)c1ccc(-c3cc4ccccc4o3)cc1S2(=O)=O ZINC000061948750 JK Annotated Anodyne CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccccc4)c2C3=O)c1 ZINC000061948790 JK Annotated Anodyne O=C(NCc1ccccc1)c1cccc2c1C(=O)c1ccc(/C=C/c3ccccc3)cc1S2(=O)=O ZINC000061948792 JK Annotated Anodyne CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC4CCCC4)c2C3=O)c1 ZINC000061948829 JK Annotated Anodyne CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccco4)c2C3=O)c1 ZINC000061948831 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc(OC)c(F)c4)cc23)cc1 ZINC000061949458 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cnc(N)nc4)cc23)cc1 ZINC000061949459 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(C(N)=O)cc4)ccc3n2C)c1 ZINC000061949461 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc(OC)nc4)ccc3n2C)c1 ZINC000061949473 JK Annotated Anodyne COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000061949491 JK Annotated Bother COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc(SC)cc4)ccc3n2C)c1 ZINC000061949505 JK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc5c(c4)OCCO5)ccc3n2C)c1 ZINC000061949507 JK Annotated Anodyne COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5cc[nH]c5c4)cc23)c1 ZINC000061949508 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cnc(OC)nc4)cc23)cc1 ZINC000061949511 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5cc[nH]c5c4)cc23)cc1 ZINC000061949512 JK Annotated Anodyne COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4ccc5cc[nH]c5c4)cc23)cc(OC)c1 ZINC000061949515 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(SC)cc4)ccc3n2C)c1 ZINC000061949517 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccccc4OC)ccc3n2C)c1 ZINC000061949519 JK Annotated Mild COc1ccc(-c2ccc3c(c2)c(C#Cc2ccsc2)c(-c2cc(OC)cc(OC)c2)n3C)cc1 ZINC000061949521 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(OC)cc4F)ccc3n2C)c1 ZINC000061949524 JK Annotated Mild COc1cc(F)cc(-c2ccc3c(c2)c(C#Cc2ccsc2)c(-c2cc(OC)cc(OC)c2)n3C)c1 ZINC000061949525 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(C(N)=O)cc4)ccc3n2C)cc1 ZINC000061949528 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5c(c4)OCCO5)ccc3n2C)cc1 ZINC000061949530 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5c(c4)OCO5)ccc3n2C)c1 ZINC000061949533 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(N(C)C)nc4)ccc3n2C)c1 ZINC000061949537 JK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4cc(F)cc(F)c4)ccc3n2C)c1 ZINC000061949538 JK Annotated Mild COc1ccc(-c2ccc3oc(-c4ccsc4)c(-c4ccc(Br)nc4)c3c2)cc1 ZINC000061949546 JK Annotated Anodyne COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(OC)c(F)c4)ccc3n2C)c1 ZINC000061949550 JK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5cc[nH]c5c4)ccc3n2C)cc1 ZINC000061949554 JK Annotated Mild C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(=O)OC)cc2)C1(C#N)C#N ZINC000061949597 JK Annotated Mild CC(C)(C)CC(C)(C)NC1=Nc2cc(Cl)c(Cl)cc2N[C@]12C[C@@H]1CCN3C(=O)CC[C@H](C2)[C@H]13 ZINC000061958534 JK Annotated Anodyne CC(C)(C)CC(C)(C)NC1=Nc2cc(Cl)c(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CC[C@H](C2)[C@H]13 ZINC000061958535 JK Annotated Anodyne Cc1ccccc1NC1=Nc2cc(Cl)c(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000061958551 JK Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(Cl)cc3C(=O)N12 ZINC000061958706 JK Annotated Anodyne C[C@@H]1[C@H]2CCCC[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]1c1cn(Cc2ccccc2)c2ccc(F)cc12 ZINC000061958998 JK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1[C@H](C)[C@H]3CCCC[C@H]3CN1S(=O)(=O)c1ccc(C)cc1)cn2C ZINC000061959007 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2c2cccn2Cc2ccccc2)cc1 ZINC000061959010 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2c2ccn(Cc3ccccc3)c2)cc1 ZINC000061959012 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@H]2c2ccn(Cc3ccccc3)c2)cc1 ZINC000061959013 JK Annotated Anodyne CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@@H]1C1CC1 ZINC000061959144 JK Annotated Anodyne CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@H]1C1CC1 ZINC000061959147 JK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N ZINC000061959297 JK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1O ZINC000061959299 JK Annotated Mild C[C@@]12C(=O)Nc3ccc(Br)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959416 JK Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(Cl)cc3C(=O)N12 ZINC000061959434 JK Annotated Anodyne C[C@@]12C(=O)Nc3cc(F)c(F)cc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959441 JK Annotated Anodyne COc1ccc2c(c1)C(=O)N1[C@H]3c4cc(Cl)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000061959442 JK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(F)cc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959444 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)N1[C@H]3c4cc(Cl)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000061959445 JK Annotated Anodyne Cc1ccc2c(c1)NC(=O)[C@@]1(C)[C@@H](c3ccccc3)[C@H]3COc4ccc(Cl)cc4[C@@H]3N1C2=O ZINC000061959446 JK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(Cl)cc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959447 JK Annotated Anodyne C[C@@]12C(=O)Nc3cc(Cl)ccc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959449 JK Annotated Anodyne C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959509 JK Annotated Anodyne COc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1SC1CCCCC1 ZINC000061959514 JK Annotated Anodyne COc1ccc(Sc2ccc(-c3nc4cnccn4c3NC3CCCCC3)cc2OC)cc1 ZINC000061959535 JK Annotated Anodyne C[C@]12C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959542 JK Annotated Anodyne COc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1-c1cccc(Cl)c1 ZINC000061959591 JK Annotated Anodyne CNC[C@H](Cc1cccc2ccccc12)NC[C@H](CCSC)NCC1CCC(C(C)(C)C)CC1 ZINC000061959660 JK Annotated Anodyne CCCCCCSc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)cc1 ZINC000061959766 JK Annotated Anodyne Cc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4cc(C(F)(F)F)ccc43)n2)cc1 ZINC000061959804 JK Annotated Anodyne C[C@@]12C(=O)N(c3ccc(Br)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959820 JK Annotated Anodyne COc1cc(-c2ccc3oc(-c4cccc(C)c4)c(C#CC4(O)CCCCC4)c3c2)cc(OC)c1OC ZINC000061969021 JK Annotated Mild COc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C#Cc2ccccn2)cc1 ZINC000061969129 JK Annotated Mild O=C(CCCOc1ccc(Cl)cc1Cl)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960021 JK Annotated Clean Cc1ccc(C)c2c(N=NC(=O)/C(=C\C=C\c3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12 ZINC000617960026 JK Annotated Clean O=C(COc1ccccc1)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000617960037 JK Annotated Clean O=C(COc1cccc(Cl)c1)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000617960047 JK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000617960052 JK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000617960060 JK Annotated Clean Cc1cc(OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)c(C(C)C)cc1Cl ZINC000617960063 JK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000617960087 JK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000617960109 JK Annotated Clean Cc1cc(Cl)ccc1OCCCC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960162 JK Annotated Clean O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960327 JK Annotated Clean Cc1nn(-c2nc(-c3ccc(Br)cc3)cs2)c(O)c1N=Nc1ccc(C(N)=O)cc1 ZINC000617978366 JK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000617989182 JK Annotated Clean Cc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(Br)cc(Br)cc23)cc1 ZINC000617989189 JK Annotated Clean Cc1ccc(N/N=C(/N=NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000617995242 JK Annotated Mild CCOC(=O)C1=C(O)/C(=C/c2ccc(OC(F)F)cc2OC(F)F)O/C1=N\c1ccccc1 ZINC000618001843 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000618004619 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 ZINC000618004620 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000618004621 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000618004622 JK Annotated Mild COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3n2)cc1OC ZINC000618005557 JK Annotated Anodyne C/C(=C\C(=O)[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@]1(O)CC3)C(C)(C)O ZINC000618005562 JK Annotated Mild C/C(=C\C(=O)[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@]1(O)CC3)C(C)(C)O ZINC000618005568 JK Annotated Mild C/C(=C\C(=O)[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@]1(O)CC3)C(C)(C)O ZINC000618005570 JK Annotated Mild C/C(=C\C(=O)[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C(C)(C)[C@]1(O)CC3)C(C)(C)O ZINC000618005571 JK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000618005753 JK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 ZINC000618005759 JK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c([C@@]4(C)C=C[C@H](C(C)C)CC4)cc23)O1 ZINC000618006202 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c([C@]4(C)C=C[C@H](C(C)C)CC4)cc23)O1 ZINC000618006206 JK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nc3nncc-3c2O)cc1Cl ZINC000618007531 JK Annotated Anodyne NC(=O)CCN(C(=O)OCc1ccccc1)C1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618008695 JK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(N=[N+]=[N-])ccc5[nH]4)c3)CC2)CC1 ZINC000618009286 JK Annotated Mild CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(Cl)ccc6[nH]5)c4)CC3)CCC2)CC1 ZINC000618009450 JK Annotated Anodyne [N-]=[N+]=Nc1ccc(NCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cc1 ZINC000618009471 JK Annotated Mild CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(Cl)ccc5[nH]4)c3)CC2)CC1 ZINC000618009518 JK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5s4)c3)CC2)CC1 ZINC000618009870 JK Annotated Anodyne Cc1cccc(CN2C(=O)NC3(CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)C2=O)c1 ZINC000618009992 JK Annotated Anodyne CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCCCC2)CC1 ZINC000618010041 JK Annotated Anodyne CC[C@H](C)N1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010182 JK Annotated Anodyne CC[C@@H](C)N1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010183 JK Annotated Anodyne Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1[nH]c2ccccc2c1C ZINC000618010492 JK Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(Cl)ccc5[nH]4)c3)CC2)CC1 ZINC000618011657 JK Annotated Anodyne Cc1ccc(N2CCC(NC3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(C#N)ccc2[nH]1 ZINC000618011789 JK Annotated Mild CCCc1ccc(S(=O)(=O)N2c3ccccc3N=C3CCCC(O)=C3[C@H]2c2ccco2)cc1 ZINC000618016401 JK Annotated Anodyne CCCc1ccc(S(=O)(=O)N2c3ccccc3N=C3CCCC(O)=C3[C@@H]2c2ccco2)cc1 ZINC000618016402 JK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NCc2ccco2)cc1 ZINC000618016457 JK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NCc2ccco2)cc1 ZINC000618016465 JK Annotated Anodyne Cc1cccc(NC(=O)N2c3ccccc3N=C3CC(C)(C)CC(O)=C3[C@H]2c2cccs2)c1C ZINC000618016520 JK Annotated Anodyne Cc1cccc(NC(=O)N2c3ccccc3N=C3CC(C)(C)CC(O)=C3[C@@H]2c2cccs2)c1C ZINC000618016528 JK Annotated Anodyne CC1(C)CC2=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3[C@H](c3ccc(C(=O)O)cc3)C2=C(O)C1 ZINC000618016552 JK Annotated Anodyne CC1(C)CC2=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3[C@@H](c3ccc(C(=O)O)cc3)C2=C(O)C1 ZINC000618016553 JK Annotated Anodyne COc1ccccc1N1C(=O)N[C@H](O)[C@@H](C2=Nc3ccccc3S[C@@H](c3ccc(C)s3)C2)C1=O ZINC000618016729 JK Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccs1 ZINC000618016739 JK Annotated Anodyne COc1ccccc1N1C(=O)N[C@H](O)[C@H](C2=Nc3ccccc3S[C@H](c3ccc(C)s3)C2)C1=O ZINC000618016740 JK Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccs1 ZINC000618016741 JK Annotated Anodyne COc1ccccc1N1C(=O)N[C@H](O)[C@H](C2=Nc3ccccc3S[C@@H](c3ccc(C)s3)C2)C1=O ZINC000618016742 JK Annotated Anodyne COc1ccccc1N1C(=O)N[C@H](O)[C@@H](C2=Nc3ccccc3S[C@H](c3ccc(C)s3)C2)C1=O ZINC000618016744 JK Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(CNc3cccc(Cl)c3)cc1OC2(C)C ZINC000618016747 JK Annotated Anodyne CCN(Cc1ccccc1OCc1cccnc1)[C@H]1C[C@H](c2ccccc2)OC2(CCNCC2)C1 ZINC000618016781 JK Annotated Anodyne CCN(Cc1ccccc1OCc1cccnc1)[C@@H]1C[C@@H](c2ccccc2)OC2(CCNCC2)C1 ZINC000618016783 JK Annotated Anodyne CCN(Cc1ccccc1OCc1cccnc1)[C@@H]1C[C@H](c2ccccc2)OC2(CCNCC2)C1 ZINC000618016784 JK Annotated Anodyne CCN(Cc1ccccc1OCc1cccnc1)[C@H]1C[C@@H](c2ccccc2)OC2(CCNCC2)C1 ZINC000618016786 JK Annotated Anodyne Cc1nc(C)n(CCC(=O)N2CCCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)n1 ZINC000618016835 JK Annotated Anodyne CC(C(=O)N1CCC2(CC1)CC(=O)NC[C@@H]2c1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000618016982 JK Annotated Anodyne CC(C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000618016987 JK Annotated Anodyne CN1C(=O)CCCC[C@]12CN(Cc1ccccc1OCc1ccccn1)C[C@H]2c1ccccc1 ZINC000618017039 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)N1 ZINC000618017061 JK Annotated Anodyne Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)C4(Cc5ccccc5)CCOCC4)C3)n2)c1 ZINC000618017067 JK Annotated Anodyne Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)C4(Cc5ccccc5)CCOCC4)C3)n2)c1 ZINC000618017069 JK Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccc(N4CCC(NC5CCN(C(C)C)CC5)CC4)c3)cc2c1 ZINC000618017083 JK Annotated Anodyne Cc1onc(C(=O)N2CCCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)c1CN(C)C ZINC000618017112 JK Annotated Anodyne Cc1nc2ccc(CCC(=O)N3CCCCCCCCN(C(=O)C4CC4)c4ccccc4C3)cc2[nH]1 ZINC000618017122 JK Annotated Anodyne Cc1c(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCCC2)oc2ccc(F)cc12 ZINC000618017372 JK Annotated Anodyne CC(C)N1CCC(NC(=O)C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 ZINC000618017441 JK Annotated Anodyne Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCC3(CC2)CO[C@H](Cc2cccc(F)c2)C3)n1 ZINC000618017770 JK Annotated Anodyne Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCC3(CC2)CO[C@@H](Cc2cccc(F)c2)C3)n1 ZINC000618017773 JK Annotated Anodyne Cc1oc2c(c1C(=O)N1CCC3(CCCCCOc4ccc(Cl)cc4C(=O)NC3)CC1)CCCC2 ZINC000618017790 JK Annotated Anodyne Cc1cc(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)c2c(C)nn(C)c2n1 ZINC000618017858 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1C=C[C@@]2(C(=O)O)[C@H](CC(C)=C[C@@H]2/C=C(\C)C2CCC(C(=O)O)CC2)C1 ZINC000062178858 JK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1C=C[C@]2(C(=O)O)[C@H](/C=C(\C)C3CCC(C(=O)O)CC3)C=C(C)C[C@@H]2C1 ZINC000062178860 JK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1 ZINC000062213006 JK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)CN(c1ccc(F)c(Cl)c1)[C@@H]2c1ccccn1 ZINC000062213011 JK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(Cl)c1)[C@H]2c1ccccn1 ZINC000062213024 JK Annotated Anodyne Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@H](Cc2cccc(F)c2)C2CCCCC2)c1 ZINC000062224274 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000062224282 JK Annotated Mild O=C(Nc1cccc(C(F)(F)F)c1)O/N=C(\C1CCCCC1)[C@H](Cn1ccnc1)C1CCCCC1 ZINC000062224289 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cn1ccnc1)C1CCCCC1 ZINC000062224299 JK Annotated Mild Cc1cn(C[C@@H](/C(=N/OC(=O)Nc2cccc(Cl)c2)C2CCCCC2)C2CCCCC2)cn1 ZINC000062224306 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cc1ccccn1)C1CCCCC1 ZINC000062224314 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1cc[nH]c1)C1CCCCC1 ZINC000062224317 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1ccco1)C1CCCCC1 ZINC000062224320 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@H](Cc1ccsc1)C1CCCCC1 ZINC000062224327 JK Annotated Mild O=C(Nc1cccc(Cl)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1cccs1)C1CCCCC1 ZINC000062224330 JK Annotated Mild O=C(Nc1cccc(F)c1)O/N=C(\C1CCCCC1)[C@@H](Cc1cccs1)C1CCCCC1 ZINC000062224335 JK Annotated Mild Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@@H](Cc2cccs2)C2CCCCC2)c1 ZINC000062224336 JK Annotated Mild COc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@@H](Cc2cccs2)C2CCCCC2)c1 ZINC000062224342 JK Annotated Mild CC1=C([C@@H]2CCN(C)C2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1 ZINC000062242248 JK Annotated Anodyne CC1=C([C@H]2CCN(C)C2)c2cc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)ccc2C1 ZINC000062242252 JK Annotated Anodyne COc1cc(Nc2nc(NCCc3ccccc3F)nc(Nc3ccc4ncccc4c3)n2)ccc1C ZINC000062260344 JK Annotated Anodyne COc1ccc(-c2cc(NC(=O)c3nc(-c4ccccc4N)sc3-c3ccccc3)n[nH]2)cc1 ZINC000621429269 JK Annotated Anodyne COc1ccc(-c2csc(N(C(=O)C(F)(F)F)c3cc4ccccc4cn3)n2)cc1OC ZINC000621430167 JK Annotated Anodyne COc1ccc(-c2csc(N(C(=O)CC(C)(C)C)c3cc4ccccc4cn3)n2)cc1OC ZINC000621430176 JK Annotated Anodyne COc1ccc(-c2csc(N(c3cc4ccccc4cn3)[C@@H](O)C(F)(F)F)n2)cc1OC ZINC000621430385 JK Annotated Anodyne COc1ccc(-c2csc(N(c3cc4ccccc4cn3)[C@H](O)C(F)(F)F)n2)cc1OC ZINC000621430386 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]3(C)C(C)(C)CCC[C@]23C)[C@@H]2C[C@H](O)[C@@H]3CC(=O)O[C@H]3[C@@]12C ZINC000621430895 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]3(C)C(C)(C)CCC[C@]23C)[C@@H]2C[C@H](O)[C@H]3CC(=O)O[C@H]3[C@@]12C ZINC000621430896 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]3(C)C(C)(C)CCC[C@]23C)[C@@H]2C[C@H](O)[C@H]3CC(=O)O[C@@H]3[C@@]12C ZINC000621430897 JK Annotated Anodyne C[C@H](CCC[C@]1(C)CCc2cc(O)ccc2O1)[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000621430918 JK Annotated Anodyne C[C@H](CCC[C@]1(C)CCc2cc(O)ccc2O1)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1 ZINC000621430919 JK Annotated Anodyne C[C@H](CCC[C@]1(C)CCc2cc(O)ccc2O1)[C@@H]1C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)O1 ZINC000621430920 JK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](CCc3ccoc3)/C(=C/OS(=O)(=O)O)CC[C@@H]12 ZINC000621430963 JK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)/C(=C/OS(=O)(=O)O)CC[C@@H]12 ZINC000621430964 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC/C(=C\OS(=O)(=O)O)[C@@H](CCc4ccoc4)[C@@]3(C)CC[C@H]12 ZINC000621430965 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC/C(=C\OS(=O)(=O)O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@H]12 ZINC000621430966 JK Annotated Anodyne O=C(Oc1ccc2ccc(=O)oc2c1)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621431734 JK Annotated Reactive O=C(Oc1ccc2ccc(=O)oc2c1)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621431735 JK Annotated Reactive O=C(Nc1cc(Cl)ccc1Cl)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621431815 JK Annotated Reactive O=C(Nc1cc(Cl)ccc1Cl)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621431816 JK Annotated Reactive C=C[C@@]1(OC(=O)Nc2cc(Cl)ccc2Cl)CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621431825 JK Annotated Reactive O=C(Nc1ccc(-c2nc[nH]n2)cc1Cc1ccccc1)c1cccc(CC2CCCCC2)n1 ZINC000621432741 JK Annotated Anodyne CN(C(=O)c1cccc(CC2CCCCC2)n1)c1ccc(-c2nn[nH]n2)cc1Cc1ccccc1 ZINC000621432781 JK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000621434423 JK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000621434424 JK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000621435208 JK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000621435209 JK Annotated Anodyne CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12)c1cccc(C)c1 ZINC000621439961 JK Annotated Anodyne CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12)c1cccc(C)c1 ZINC000621439962 JK Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)cc1OC ZINC000621441630 JK Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1OC ZINC000621441631 JK Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000621475385 JK Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000621475386 JK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccc3c(c2)CCC3)c1 ZINC000621476068 JK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccc3ncsc3c2)c1 ZINC000621476077 JK Annotated Anodyne O=C(O)CCN1c2ccc(Br)cc2C2(CCCCC2)c2cc(Br)ccc21 ZINC000621476113 JK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccc(-n3cccn3)cc2)c1 ZINC000621476122 JK Annotated Anodyne CC(C)(C)c1cccc(Nc2cc(C(=O)O)ccc2NC(=O)c2cccc(CC3CCCCC3)n2)c1 ZINC000621476133 JK Annotated Anodyne O=C(O)c1ccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1C(F)(F)F ZINC000621476405 JK Annotated Anodyne Cc1nn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c(C)c1NC(=O)c1cc(-c2ccco2)on1 ZINC000621476407 JK Annotated Anodyne O=C(O)c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000621477811 JK Annotated Bother CCN(CC)c1ccc([C@@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc1 ZINC000621477862 JK Annotated Reactive CCN(CC)c1ccc([C@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc1 ZINC000621477863 JK Annotated Reactive CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H](O)c2ccccc2[C@@H]1O ZINC000062624621 JK Annotated Anodyne in-vitro CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](O)c2ccccc2[C@@H]1O ZINC000062624631 JK Annotated Anodyne in-vitro Nc1cc(S(=O)(=O)/N=C(\O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1 ZINC000063540108 JK Annotated Mild C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1)OO2 ZINC000064235723 JK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1)OO2 ZINC000064235725 JK Annotated Reactive OC(/C=C\c1cccc(F)c1)=N\C1CCC(CCN2CCc3ccc(-c4cnccn4)cc3CC2)CC1 ZINC000064252045 JK Annotated Mild CCN(CC)CCOc1ccc(NC(=O)c2oc3ccccc3c2/C=C\c2ccccc2)cc1 ZINC000064252052 JK Annotated Anodyne O=C(/C=C\c1ccccc1Cl)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1 ZINC000064261559 JK Annotated Anodyne N#Cc1cccc([C@]23CC[C@H](N(CCNCCF)C(=O)Nc4cc(Cl)nc(Cl)c4)C[C@H]2C3)c1 ZINC000064264677 JK Annotated Mild COc1ccc(C[C@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1OCc1ccccc1 ZINC000064264813 JK Annotated Anodyne O=C1CC(CCc2ccc3c(c2)OCO3)=NN1[C@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274875 JK Annotated Anodyne O=C1CC(CCc2ccc3c(c2)OCO3)=NN1[C@@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274876 JK Annotated Anodyne O=C1CC(CCc2ccc3c(c2)OCO3)=NN1[C@@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274877 JK Annotated Anodyne C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000064303488 JK Annotated Reactive C=C(c1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000064303497 JK Annotated Reactive O=C1N(Cc2cc[n+]([O-])cc2)c2ccc(F)c(F)c2[C@@](CCF)(c2ccccc2)N1CC(F)(F)F ZINC000064353910 JK Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccccc2)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000064353911 JK Annotated Anodyne C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000064361329 JK Annotated Reactive CC[C@@]1(c2ccccc2)c2c(ccc(F)c2F)N(C(=O)c2ocnc2C)C(=O)N1CC(F)(F)F ZINC000064361397 JK Annotated Anodyne CCC[C@@]1(c2cccc(Oc3ccccn3)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000064361481 JK Annotated Anodyne CCC[C@@]1(c2ccccc2)c2c(ccc(F)c2F)N(Cc2cc[n+]([O-])cc2)C(=O)N1CC(F)(F)F ZINC000064361556 JK Annotated Anodyne CCC[C@]1(c2cccc(-c3ccnn3C)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000064361629 JK Annotated Anodyne CC[C@H](C)C(=O)C1=C2O[C@@H]([C@@](C)(O)CCC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C)(C)C1=O ZINC000064373083 JK Annotated Mild c1ccc([C@@H]2CC3(N4CCCCC4)CCN(CCCN4CCCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373316 JK Annotated Anodyne CCC[C@@]1(c2cccc(-c3nccs3)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000064373328 JK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)C[C@@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373459 JK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](NCCN2CCCC2)C3)cc1 ZINC000064373461 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)C[C@@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373462 JK Annotated Anodyne CCC[C@@]1(c2cccc(N3CCOCC3)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000064373485 JK Annotated Anodyne CN(C)c1ccc(/C=C(/Sc2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064374245 JK Annotated Mild CC[C@@]1(c2ccccc2)c2c(ccc(F)c2F)N(Cc2cc[n+]([O-])cc2)C(=O)N1CC(F)(F)F ZINC000064379322 JK Annotated Anodyne Cc1ccc(CS/C(=C/c2ccccc2Br)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064380637 JK Annotated Mild CC[C@@]1(c2ccc(F)cc2)c2c(ccc(F)c2F)N(Cc2c(C)noc2C)C(=O)N1CC(F)(F)F ZINC000064380873 JK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)C[C@@H](O)[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000064391063 JK Annotated Anodyne O=c1c(Cc2ccc(Cl)cc2Cl)nnc2scc(-c3cc(F)c(Cl)cc3Cl)n12 ZINC000064393106 JK Annotated Anodyne N/C(=N\O)c1ccc(C2=C(S(=O)(=O)c3ccccc3)CC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000064415774 JK Annotated Mild CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C ZINC000064415801 JK Annotated Anodyne in-vitro biogenic CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000064416996 JK Annotated Anodyne in-vitro biogenic Cc1ccc([C@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccc(Cl)cc3)C2(C)C)cc1 ZINC000064417252 JK Annotated Anodyne Cc1ccc([C@@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccc(Cl)cc3)C2(C)C)cc1 ZINC000064417254 JK Annotated Anodyne CC1(C)C(c2ccc(Cl)cc2)=NN(C(=O)COc2cccc3cccnc23)[C@H]1c1ccccc1 ZINC000064417396 JK Annotated Anodyne CC1(C)C(c2ccc(Cl)cc2)=NN(C(=O)COc2cccc3cccnc23)[C@@H]1c1ccccc1 ZINC000064417399 JK Annotated Anodyne COc1ccc([C@@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccc(Cl)cc3)C2(C)C)cc1 ZINC000064426509 JK Annotated Anodyne COc1ccc([C@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccc(Cl)cc3)C2(C)C)cc1 ZINC000064426512 JK Annotated Anodyne COc1ccc([C@@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccccc3)C2(C)C)cc1 ZINC000064426629 JK Annotated Anodyne COc1ccc([C@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccccc3)C2(C)C)cc1 ZINC000064426631 JK Annotated Anodyne Cc1ccc(OCc2ccccc2-c2nn(CNc3cccc(C(F)(F)F)c3)c(=S)o2)cc1 ZINC000064436336 JK Annotated Anodyne C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(C)cc1)OO2 ZINC000064436477 JK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(C)cc1)OO2 ZINC000064436479 JK Annotated Reactive Cc1ccccc1OCc1ccccc1-c1nn(CNc2cccc(C(F)(F)F)c2)c(=S)o1 ZINC000064436624 JK Annotated Anodyne CCN1C/C(=C\c2ccc(C)cc2)c2nc3nc4n(c(=O)c3c(-c3ccc(C)cc3)c2C1)C(=O)CS4 ZINC000064436690 JK Annotated Anodyne COc1ccc(N2CCN(Cn3nc([C@H](C)c4ccc(CC(C)C)cc4)oc3=S)CC2)cc1 ZINC000064436883 JK Annotated Clean COc1ccc(N2CCN(Cn3nc([C@@H](C)c4ccc(CC(C)C)cc4)oc3=S)CC2)cc1 ZINC000064436886 JK Annotated Clean C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064437151 JK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064437153 JK Annotated Reactive CCN(CC)CCCNCc1cc2c([nH]c3ccccc32)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064437227 JK Annotated Anodyne C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064446488 JK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064446490 JK Annotated Reactive CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(c4ccc(Cl)cc4)CC3)c(=S)o2)cc1 ZINC000064446502 JK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(c4ccc(Cl)cc4)CC3)c(=S)o2)cc1 ZINC000064446503 JK Annotated Anodyne C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(F)cc1)OO2 ZINC000064446550 JK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(F)cc1)OO2 ZINC000064446552 JK Annotated Reactive CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 ZINC000064446823 JK Annotated Bother CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 ZINC000064446825 JK Annotated Bother C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(OC)cc1)OO2 ZINC000064446940 JK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(OC)cc1)OO2 ZINC000064446941 JK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(OC)cc1)OO2 ZINC000064447046 JK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(OC)cc1)OO2 ZINC000064447048 JK Annotated Reactive FC(F)(F)c1cccc(NCn2nc(-c3ccccc3COc3ccc(Cl)cc3)oc2=S)c1 ZINC000064447169 JK Annotated Anodyne C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064447199 JK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064447202 JK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064447337 JK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064447338 JK Annotated Reactive O=c1c(Cc2ccc(Cl)cc2Cl)nnc2scc(-c3ccc(Br)cc3)n12 ZINC000064447355 JK Annotated Anodyne C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064447384 JK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064447386 JK Annotated Reactive Ic1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4)CC3)c2c1 ZINC000064447405 JK Annotated Anodyne N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000064447510 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc2c(c1)OCO2 ZINC000064447511 JK Annotated Reactive CC[C@H](/C=C/[C@@H](C)[C@@]1(C)CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(C)C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000064447555 JK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(c4ccc(F)cc4)CC3)c(=S)o2)cc1 ZINC000064447644 JK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(c4ccc(F)cc4)CC3)c(=S)o2)cc1 ZINC000064447647 JK Annotated Anodyne N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1c[nH]c2ccccc12 ZINC000064447705 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1c[nH]c2ccccc12 ZINC000064447708 JK Annotated Reactive Cc1ccc(Cl)c(NCn2nc(-c3ccccc3COc3ccc(Cl)cc3)oc2=S)c1 ZINC000064447803 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccccc3F)C(=O)/C(=C/c3ccccc3F)C2)cc1 ZINC000064447847 JK Annotated Mild C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064448030 JK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064448031 JK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064448146 JK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064448148 JK Annotated Reactive CC(C)CC[C@](C)(O)[C@]1(C)Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000064448154 JK Annotated Anodyne in-vivo CC(C)CC[C@@](C)(O)[C@]1(C)Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000064448155 JK Annotated Anodyne in-vivo CC(C)CC[C@](C)(O)[C@@]1(C)Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000064448157 JK Annotated Anodyne in-vivo CC(C)CC[C@@](C)(O)[C@@]1(C)Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000064448159 JK Annotated Anodyne in-vivo N/C(=N\O)c1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(c3ccccc3)(c3ccccc3)C2)cc1 ZINC000064448375 JK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000064448421 JK Annotated Anodyne in-vivo CC(C)=CCC[C@]1(C)C=Cc2c(O)c(C(=O)CC(C)C)c3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000064448422 JK Annotated Anodyne in-vivo CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)/C=C\C(=O)O)cc(C)c2O1 ZINC000064448423 JK Annotated Anodyne CC1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccc(I)cc23)CC1 ZINC000064448438 JK Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(Sc2cc(C)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000064448439 JK Annotated Bother Cc1cccc(OCc2ccccc2-c2nn(CNc3cc(C)ccc3Cl)c(=S)o2)c1 ZINC000064448575 JK Annotated Anodyne C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(F)cc1)OO2 ZINC000064448636 JK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(F)cc1)OO2 ZINC000064448639 JK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(Cl)cc1)OO2 ZINC000064448641 JK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(Cl)cc1)OO2 ZINC000064448643 JK Annotated Reactive O=C(O)c1ccc(/C=C2\C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C2c2ccccc2)cc1 ZINC000064448752 JK Annotated Clean Cc1ccc(OCc2ccccc2-c2nn(CNc3cc(C)ccc3Cl)c(=S)o2)cc1 ZINC000064448782 JK Annotated Anodyne N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064448863 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064448864 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc2ccccc2c1 ZINC000064448866 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc2ccccc2c1 ZINC000064448867 JK Annotated Reactive Cc1cccc(OCc2ccccc2-c2nn(CNc3cccc(C(F)(F)F)c3)c(=S)o2)c1 ZINC000064448937 JK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1Oc1c(Cl)cccc1Cl ZINC000064453433 JK Annotated Bother Cc1ccc(Cl)c(NCn2nc(-c3ccccc3COc3ccccc3C)oc2=S)c1 ZINC000064453502 JK Annotated Anodyne N#Cc1c(-c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc(-c2cc3ccccc3o2)nc1N ZINC000064453565 JK Annotated Mild CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4Cl)c4ccccc34)[C@@H]21 ZINC000064453582 JK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4Cl)c4ccccc34)[C@H]21 ZINC000064453583 JK Annotated Clean c1ccc([C@@H]2CC3(N4CCCC4)CCN(CCCN4CCCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000064453688 JK Annotated Anodyne CCN1C/C(=C\c2ccc(C)cc2)c2nc3nc(S)[nH]c(=O)c3c(-c3ccc(C)cc3)c2C1 ZINC000064453690 JK Annotated Anodyne CCN(CC)CCCNCc1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064453696 JK Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@@H]1c1cccs1 ZINC000064453793 JK Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@H]1c1cccs1 ZINC000064453795 JK Annotated Anodyne C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C)cc1)OO2 ZINC000064453818 JK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C)cc1)OO2 ZINC000064453820 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1cc2ccccc2nc1Cl ZINC000064453989 JK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1cc2ccccc2nc1Cl ZINC000064453991 JK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064454106 JK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064454108 JK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(Cl)cc1)OO2 ZINC000064454320 JK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(Cl)cc1)OO2 ZINC000064454321 JK Annotated Reactive OC(/C=C\c1ccc(F)cc1)=N/C1CCC(CCN2CCc3ccc(-c4cnccn4)cc3CC2)CC1 ZINC000064468874 JK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000064474972 JK Annotated Mild O=C(/C(=C\c1ccc(O)cc1O)Sc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064475033 JK Annotated Mild COc1ccccc1/C=C(/Sc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 ZINC000064475194 JK Annotated Mild CC(=O)Oc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000064475249 JK Annotated Mild Cc1cc(CN2Cc3ccccc3[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O ZINC000064479696 JK Annotated Anodyne Cc1ccsc1/C=C(/SCc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 ZINC000064479740 JK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2cccc(Cl)c2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064479751 JK Annotated Mild COc1ccccc1/C=C(/SCc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000064479754 JK Annotated Mild Cc1ccc(/C=C(\C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)Cc2ccc(Cl)cc2)s1 ZINC000064479771 JK Annotated Mild COc1cc(OC)c(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000064479869 JK Annotated Mild C[C@@H]1CC[C@@H]2C(=O)O[C@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064481117 JK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064481119 JK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)O[C@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064481120 JK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)O[C@H](COc3ccc(C(C)(C)C)cc3)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064481121 JK Annotated Anodyne Cc1ccc(C(/C=C/c2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)=C2/C(=O)NC(=O)N=C2O)cc1 ZINC000064485736 JK Annotated Anodyne CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc23)[C@H]1c1ccccc1Cl ZINC000064491749 JK Annotated Anodyne CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc23)[C@@H]1c1ccccc1Cl ZINC000064491750 JK Annotated Anodyne CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc23)[C@H]1c1cccc(Cl)c1 ZINC000064491751 JK Annotated Anodyne CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc23)[C@@H]1c1cccc(Cl)c1 ZINC000064491752 JK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4c(Br)cccc4c3[C@H]21 ZINC000064491780 JK Annotated Anodyne Cc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000064491825 JK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc(Br)cc4c3[C@H]21 ZINC000064499007 JK Annotated Anodyne O=C(/C(=C\c1c(O)cc(O)cc1O)Sc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064499076 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064499117 JK Annotated Mild Cc1ccc(C(/C=C/c2c(-c3ccccc3)[nH]c3ccc(C)cc23)=C2/C(=O)NC(=O)N=C2O)cc1 ZINC000064499230 JK Annotated Anodyne Cc1ccc(S/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064499305 JK Annotated Mild O=C(/C(=C/c1ccc(Br)cc1)SCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064499322 JK Annotated Mild Cc1ccc(S/C(=C/c2c(F)c(F)c(F)c(F)c2F)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064499337 JK Annotated Mild CC(=O)Nc1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] ZINC000064499402 JK Annotated Mild Cc1ccsc1/C=C(\C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000064499422 JK Annotated Mild COc1cc(OC)c(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000064499457 JK Annotated Mild CCOc1cc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)ccc1O ZINC000064499505 JK Annotated Mild Cc1cc(C)cc(/C=C(/Sc2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000064499535 JK Annotated Mild CSc1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064499546 JK Annotated Mild CC1(C)CCC[C@@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000064502306 JK Annotated Anodyne O=C(/C(=C\c1ccc(O)cc1O)SCc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000064503386 JK Annotated Mild O=C(/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000064503400 JK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064503453 JK Annotated Mild CC1(C)C[C@]2(C)Nc3cc(-c4ccc5c(c4)N[C@@]4(C)CC(C)(C)NC(=S)N54)ccc3N2C(=S)N1 ZINC000064503536 JK Annotated Anodyne CC1(C)C[C@@]2(C)Nc3cc(-c4ccc5c(c4)N[C@@]4(C)CC(C)(C)NC(=S)N54)ccc3N2C(=S)N1 ZINC000064503537 JK Annotated Anodyne CC1(C)C[C@@]2(C)Nc3cc(-c4ccc5c(c4)N[C@]4(C)CC(C)(C)NC(=S)N54)ccc3N2C(=S)N1 ZINC000064503540 JK Annotated Anodyne COc1ccccc1/C=C(\C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000064503575 JK Annotated Mild Nc1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] ZINC000064503591 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064503702 JK Annotated Mild Cc1ccc(S(=O)(=O)/C(=C/c2sccc2C)C(=O)c2ccc(Br)cc2)cc1 ZINC000064503724 JK Annotated Mild O=C(/C(=C\c1ccc(F)cc1F)Sc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064503727 JK Annotated Mild O=C(/C(=C\c1cccc(Cl)c1Cl)SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064503736 JK Annotated Mild Cc1cc(C)cc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Br)cc2)c1 ZINC000064503821 JK Annotated Mild Cc1ccc(CS/C(=C/c2c[nH]c3ccc(Cl)cc23)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064503842 JK Annotated Mild Cc1ccc(S/C(=C/c2cc(Cl)cc(Cl)c2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064503860 JK Annotated Mild O=C(/C(=C\c1ccc(O)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000064503874 JK Annotated Mild Cc1ccc(CS/C(=C/c2ccc(F)c([N+](=O)[O-])c2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064503899 JK Annotated Mild CCOc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000064503937 JK Annotated Mild Cc1ccc(CS/C(=C/c2ccc(F)c([N+](=O)[O-])c2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000064503957 JK Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)SCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000064503966 JK Annotated Mild CSc1ccc(/C=C(/SCc2ccc(Br)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064503969 JK Annotated Mild Cc1ccc(S/C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064504005 JK Annotated Mild Clc1cccc(Cl)c1SCc1cc2c(OCCCNCc3cccnc3)cccc2[nH]1 ZINC000064504017 JK Annotated Anodyne Cc1ccc(C)c(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000064504022 JK Annotated Mild Cc1ccc(C)c(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Br)cc2)c1 ZINC000064504029 JK Annotated Mild COc1ccc(CCN(Cc2ccccc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1OC ZINC000064504038 JK Annotated Clean Cc1ccc(CS/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064504044 JK Annotated Mild Cc1ccc(C)c(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000064504107 JK Annotated Mild COc1ccc2c(c1)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000064504129 JK Annotated Anodyne CC(=O)c1ccc(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064504136 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Br)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064504137 JK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccccc2F)SCc2ccc(Br)cc2)cc1 ZINC000064504139 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000064510212 JK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c(/C=C/C(=C3\C(=O)NC(=O)N=C3O)c3ccc(Cl)cc3)c2c1 ZINC000064510213 JK Annotated Anodyne COc1ccccc1/C=C(/SCc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 ZINC000064510277 JK Annotated Mild CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000064510355 JK Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000064510357 JK Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000064510378 JK Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000064510380 JK Annotated Anodyne Cc1nc2c(c(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c1O)CCN2C ZINC000064512705 JK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1C=CC=C(CO)C2=C([C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1 ZINC000064512877 JK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1/C=C/C=C(CO)C2=C([C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1 ZINC000064512879 JK Annotated Anodyne CCN(Cc1ccc2occc2c1)c1nc(Nc2c(F)cccc2-c2ccccc2)nc(=O)[nH]1 ZINC000064513733 JK Annotated Anodyne CC1(C)Oc2cc(F)ccc2-c2ccc3c(c21)C(=O)N(c1ccc(C(=O)c2ccccc2)cc1)C3=O ZINC000064514055 JK Annotated Anodyne Cc1cc(C)cc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000064516119 JK Annotated Mild COc1ccc(S/C(=C/c2ccccc2OCc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064516124 JK Annotated Mild Cc1ccc(CS/C(=C/c2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064516269 JK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)cc2)SCc2ccc(F)cc2)cc1 ZINC000064516276 JK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)SCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000064516294 JK Annotated Mild Cc1ccc(CS/C(=C/c2ccc(C(=O)O)cc2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000064516318 JK Annotated Mild COc1ccccc1/C=C(/SCc1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000064516454 JK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)SCc1ccc(Br)cc1)c1ccccc1Cl ZINC000064516468 JK Annotated Mild Cc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000064516479 JK Annotated Mild Cc1ccc(S(=O)(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)c2ccc(Br)cc2)cc1 ZINC000064516491 JK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064516566 JK Annotated Mild Cc1cc(C)cc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000064516643 JK Annotated Mild Cc1cc(F)ccc1/C=C(/SCc1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000064516659 JK Annotated Mild COc1ccccc1/C=C(\C(=O)c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000064516662 JK Annotated Mild N#Cc1ccc(C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064516698 JK Annotated Mild O=C(/C(=C\c1ccc(O)cc1)SCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064516754 JK Annotated Mild CCOc1ccc(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)cc1OC ZINC000064516771 JK Annotated Mild Cc1ccc(S/C(=C/c2ccc(F)cc2C(F)(F)F)C(=O)c2ccc(Br)cc2)cc1 ZINC000064516817 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064521211 JK Annotated Mild Cc1ccsc1/C=C(/SCc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000064521216 JK Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)Sc1ccccc1Br)c1ccc(Cl)cc1 ZINC000064521247 JK Annotated Mild Cc1ccc(S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064521256 JK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(Cl)cc2)cc1 ZINC000064521263 JK Annotated Mild COc1ccccc1/C=C(\C(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000064521267 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064521268 JK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)SCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064521270 JK Annotated Mild Cc1ccc(CS/C(=C/c2ccc(F)cc2C(F)(F)F)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064521380 JK Annotated Mild Cc1cc(C)cc(N(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c2ccccn2)c1 ZINC000064526407 JK Annotated Anodyne CC(C)OCCCN1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000064526989 JK Annotated Anodyne O=C1N(CCc2ccc(Cl)cc2)CCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000064527004 JK Annotated Anodyne O=C1CC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CN1Cc1ccc(Cl)cc1 ZINC000064527063 JK Annotated Anodyne CN(Cc1ccc2occc2c1)c1nc(=O)nc(Nc2c(F)cc(F)cc2-c2ccccc2)[nH]1 ZINC000064527187 JK Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000064527241 JK Annotated Anodyne O=C(c1ccc(F)cc1)c1cnc(-c2ccccc2C(F)(F)F)n1S(=O)(=O)c1ccccc1 ZINC000064527307 JK Annotated Anodyne COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccc(Cc3ccccc3)cc1)C2=O ZINC000064527363 JK Annotated Anodyne C=C1[C@@H]2[C@](C(=O)O)(CC[C@H]1C)CC[C@]13C[C@]21C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000064527521 JK Annotated Mild CSc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000064527592 JK Annotated Mild O=C(/C(=C\c1ccc2ccccc2n1)SCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064527629 JK Annotated Mild CCOc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(C)cc2)cc1OC ZINC000064527633 JK Annotated Mild Cc1cc(C)cc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000064527650 JK Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)SCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000064527652 JK Annotated Mild Cc1ccc(S/C(=C/c2c(O)cc(O)cc2O)C(=O)c2ccc(Br)cc2)cc1 ZINC000064527668 JK Annotated Mild COc1cc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccccc2Cl)cc(OC)c1 ZINC000064527689 JK Annotated Mild CC(C)(C)OC(=O)c1cc2c3cc(I)ccc3n(C(=O)OC(C)(C)C)c2cn1 ZINC000064527736 JK Annotated Anodyne Cc1cc(C)cc(/C=C(/SCc2ccc(Br)cc2)C(=O)c2ccccc2Cl)c1 ZINC000064527762 JK Annotated Mild COc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000064527787 JK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064527840 JK Annotated Mild COc1ccc(S/C(=C/c2ccc(Cl)cc2Cl)C(=O)c2ccc(Br)cc2)cc1 ZINC000064527856 JK Annotated Mild CCOc1ccc(/C=C(/Sc2ccccc2Cl)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000064527902 JK Annotated Mild Cc1ccc(S(=O)(=O)/C(=C/c2ccc(F)cc2F)C(=O)c2ccc(Br)cc2)cc1 ZINC000064527916 JK Annotated Mild Cc1ccccc1-n1nc(C)c(-c2ccc3nccnc3c2)c1Nc1ccc(Cl)cc1C(=O)O ZINC000064527982 JK Annotated Anodyne CC1(C)Oc2ccccc2-c2ccc3c(c21)C(=O)N(c1ccc(C(=O)c2ccccc2)cc1)C3=O ZINC000064527989 JK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 ZINC000064528030 JK Annotated Anodyne COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O ZINC000064528434 JK Annotated Anodyne CCOP(=O)(OCC)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 ZINC000064528501 JK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2ccccc2Br)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064531760 JK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064531786 JK Annotated Mild O=C(/C(=C\c1ccccc1O)Sc1ccccc1Br)c1ccc(Br)cc1 ZINC000064531803 JK Annotated Mild Cc1ccc(C)c(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000064531805 JK Annotated Mild COc1cc(OC)c(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000064531844 JK Annotated Mild COc1cc(OC)c(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000064531859 JK Annotated Mild O=C(/C(=C\c1ccc(O)cc1)S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064531946 JK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064532009 JK Annotated Mild O=C(/C(=C\c1ccc(F)cc1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064532022 JK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SCc2ccc(F)cc2)cc1 ZINC000064532070 JK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064532097 JK Annotated Mild O=C(/C(=C/c1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000064532127 JK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Cl)c(Cl)c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064532231 JK Annotated Mild O=C(Nc1nc2ccccc2s1)c1c(Nc2ccccc2)nn2c(-c3cccs3)ccnc12 ZINC000064532280 JK Annotated Anodyne Cc1ccsc1/C=C(\C(=O)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000064532296 JK Annotated Mild CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@H]2N(Cc2ccccc2)C(=S)N1c1cc(C)on1 ZINC000064538984 JK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@@H]2N(Cc2ccccc2)C(=S)N1c1cc(C)on1 ZINC000064538985 JK Annotated Anodyne COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O ZINC000064538988 JK Annotated Anodyne CCOP(=O)(OCC)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000064539078 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@@H](C)C(=O)OC ZINC000064539233 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)OC ZINC000064539234 JK Annotated Mild CNc1ncnc2c(CNc3cc(NC(=O)c4ccc(Br)s4)ccc3C)cccc12 ZINC000064539259 JK Annotated Anodyne COC(=O)c1cc2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3ccccc3c2oc1=O ZINC000064539292 JK Annotated Bother CON=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000064539377 JK Annotated Mild CON=C1C2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000064539379 JK Annotated Mild CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@H]2N(c2ccccc2)C(=S)N1c1cc(C)on1 ZINC000064539709 JK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@@H]2N(c2ccccc2)C(=S)N1c1cc(C)on1 ZINC000064539710 JK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@H]2N(c2ccc(C)cc2)C(=S)N1c1cc(C)on1 ZINC000064539711 JK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@@H]2N(c2ccc(C)cc2)C(=S)N1c1cc(C)on1 ZINC000064539712 JK Annotated Anodyne CCCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064539843 JK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064539844 JK Annotated Mild CC(C)=CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000064540010 JK Annotated Mild CC(C)CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000064540011 JK Annotated Mild Cc1ccccc1-n1nc(C)c(-c2cc(F)c3nccnc3c2)c1Nc1ccccc1C(=O)O ZINC000064540263 JK Annotated Anodyne N=C(NCCCCCCCCCCCCNC(=N)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000064540426 JK Annotated Anodyne CNc1ncnc2c(CNc3cc(NC(=O)c4cc5ccccc5s4)ccc3C)cccc12 ZINC000064541086 JK Annotated Anodyne C=C(C(C)C)[C@@H](O)C[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000064548476 JK Annotated Mild CCN(CC)CCOc1c2ccc(Cl)cc2nc2c3ccccc3n(CCN(CC)CC)c12 ZINC000064548522 JK Annotated Bother FC(F)(F)c1ccc(Nc2nc(C3CC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064548699 JK Annotated Anodyne CC(C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000064548700 JK Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)O)sc3c2)nn1)C(F)(F)F ZINC000064548709 JK Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)O)sc3c2)nn1)C(F)(F)F ZINC000064548710 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@H](c1cccc(Oc2ccccc2)c1)c1oc(CO)cc(=O)c1O ZINC000064548717 JK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@H](c1cccc(Oc2ccccc2)c1)c1oc(CO)cc(=O)c1O ZINC000064548718 JK Annotated Anodyne COc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3cccs3)nc2c1 ZINC000064548799 JK Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)nc1 ZINC000064548818 JK Annotated Anodyne O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1)c1ccncc1 ZINC000064548889 JK Annotated Reactive O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1)c1ccncc1 ZINC000064548890 JK Annotated Reactive CCN(CC)CCn1c2ccccc2c2c1c(=O)c1ccc(Cl)cc1n2CCN(CC)CC ZINC000064549321 JK Annotated Bother CCCCCCCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000064549422 JK Annotated Mild CC(C)CN(Cc1cc2c(o1)C[C@H]1[C@@H]3[C@@H]2C(=O)O[C@H]3[C@H](O)[C@H]2C(C)(C)CCC[C@]12C)CC(C)C ZINC000064549456 JK Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4cc(Br)ccc4s3)CC2)nc1 ZINC000064549496 JK Annotated Anodyne C#CCO/N=C1\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)c2cc(OCCCc3ccccc3)ccc21 ZINC000064549610 JK Annotated Mild CC(C)c1c(Cl)cc2c(c1Cl)/C(=N/OCC1CC1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000064549622 JK Annotated Mild CC(C)c1c(Cl)cc2c(c1Cl)/C(=N/OCC1CCCCC1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000064549623 JK Annotated Mild C[C@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2C2CC2)cc1)C(F)(F)F ZINC000064549656 JK Annotated Mild C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2CCF)cc1)C(F)(F)F ZINC000064549657 JK Annotated Mild CC(C)c1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccccc43)C23C(=O)c2ccccc2C3=O)cc1 ZINC000064549804 JK Annotated Clean C(\SC1CCCCC1)=C(\c1ccccc1)n1cc(SC2CCCCC2)c(-c2ccccc2)n1 ZINC000064549898 JK Annotated Anodyne CCN(c1ccc2c(c1)c1cnccc1n2CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000064549929 JK Annotated Anodyne O=c1c2cc(-c3ccccc3Cl)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 ZINC000064550038 JK Annotated Anodyne COc1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c(OC)c1OC ZINC000064552916 JK Annotated Mild Cc1ccc(/C=C(/SCc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2)s1 ZINC000064552989 JK Annotated Mild CSc1ccc(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064553059 JK Annotated Mild COc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000064553060 JK Annotated Mild CCOc1ccc(/C=C(/SCc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000064553090 JK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(F)cc2)cc1 ZINC000064553101 JK Annotated Mild COc1ccc(C(=O)/C(=C\c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000064553119 JK Annotated Mild O=C(/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064553149 JK Annotated Mild CSc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000064553232 JK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SCc2ccc(F)cc2)cc1 ZINC000064553267 JK Annotated Mild O=C(/C(=C\c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064553324 JK Annotated Mild Cc1ccc(S(=O)(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064553335 JK Annotated Mild O=C(/C(=C\c1ccc(Oc2ccccc2)cc1)SCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064553393 JK Annotated Mild CSc1ccc(/C=C(/SCc2ccc(C)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064553439 JK Annotated Mild O=C(/C(=C\c1ccc(O)cc1O)Sc1ccccc1Br)c1ccc(Cl)cc1 ZINC000064553501 JK Annotated Mild Cc1ccc(C)c(/C=C(/Sc2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000064553575 JK Annotated Mild COc1cc(OC)c(/C=C(\SCc2ccccc2Cl)C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000064553631 JK Annotated Mild CCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000064553688 JK Annotated Anodyne CCOc1cc(/C=C(\Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2)ccc1O ZINC000064553881 JK Annotated Mild CCOc1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000064553982 JK Annotated Mild COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccc(Cl)cc4)s3)cn(C3CC3)c12 ZINC000064559181 JK Annotated Anodyne CN(C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000064559183 JK Annotated Anodyne C=CO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2c(Cl)c(Cl)c(C(C)C)c(Cl)c21 ZINC000064559291 JK Annotated Mild C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2C2CC2)cc1)C(F)(F)F ZINC000064559352 JK Annotated Mild C=CCO/N=C1\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)c2cc(OCCCc3ccccc3)ccc21 ZINC000064559572 JK Annotated Mild CC(C)=CCO/N=C1\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)c2cc(OCCCc3ccccc3)ccc21 ZINC000064559573 JK Annotated Mild C(\SC1CCCCC1)=C(/c1ccccc1)n1cc(SC2CCCCC2)c(-c2ccccc2)n1 ZINC000064560118 JK Annotated Anodyne O=c1c2cc(-c3ccc(Cl)cc3F)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 ZINC000064560156 JK Annotated Anodyne CC(C)c1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCN(c1ncccc1C(F)(F)F)C2 ZINC000064560368 JK Annotated Anodyne CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000064560437 JK Annotated Anodyne COc1cccc2c(C(=O)N3C[C@H]4CCCN4C[C@H]3CC(C)C)cn(CC3CCCCC3)c12 ZINC000064560683 JK Annotated Anodyne COc1cccc2c(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CC(C)C)cn(CC3CCCCC3)c12 ZINC000064560685 JK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)/C=C/c1cccc(OC)c1Oc1cccc(c1)CC2 ZINC000064564436 JK Annotated Anodyne Cc1ccc(S(=O)(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064564456 JK Annotated Mild COc1ccccc1/C=C(\C(=O)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000064564464 JK Annotated Mild Cc1ccc(S/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064564512 JK Annotated Mild O=C1N=C(O)/C(=C(/C=C/c2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)c2ccccc2)C(=O)N1 ZINC000064564549 JK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SCc2ccccc2F)cc1 ZINC000064564570 JK Annotated Mild CCOc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1OC ZINC000064564593 JK Annotated Mild Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Br)cc3s2)cc1 ZINC000064564626 JK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccccc2Cl)cc1 ZINC000064564634 JK Annotated Mild CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c(=O)c2ccc(C)nc21 ZINC000064564648 JK Annotated Anodyne CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c(=O)c2ccc(C)nc21 ZINC000064564650 JK Annotated Anodyne Cc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000064572970 JK Annotated Anodyne CCCCCCCCCCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573105 JK Annotated Mild CCCCCCCCCCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573107 JK Annotated Mild O=c1oc2ccccc2cc1-c1csc(N/N=C/c2c[nH]nc2-c2ccc(Cl)cc2Cl)n1 ZINC000064573488 JK Annotated Mild O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1)c1ccncc1 ZINC000064573500 JK Annotated Reactive O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1)c1ccncc1 ZINC000064573506 JK Annotated Reactive C[C@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2CCF)cc1)C(F)(F)F ZINC000064573574 JK Annotated Mild O=c1oc2ccccc2cc1-c1csc(N/N=C/c2c[nH]nc2-c2cc(Cl)sc2Cl)n1 ZINC000064573699 JK Annotated Mild CC[C@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(=O)O)sc3c2)nn1)C(F)(F)F ZINC000064573705 JK Annotated Anodyne Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3cc(Cl)c(Cl)cc3s2)cc1 ZINC000064573969 JK Annotated Anodyne CCOc1ccc(/C=C\C(O)=N\c2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OC ZINC000064573986 JK Annotated Mild C[C@@H]1CCCC[C@@H]1N(C)C1CCN(CCC/N=C(O)\C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000064585591 JK Annotated Mild CCN1CCN(c2cc(C)c3cc(/N=C(O)/C=C\c4cccc(OC)c4OC)ccc3n2)CC1 ZINC000064623457 JK Annotated Mild FC1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000064624425 JK Annotated Mild in-vitro FC1(F)N2[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C1(F)F ZINC000064624426 JK Annotated Mild in-vitro FC1(F)N2[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C1(F)F ZINC000064624428 JK Annotated Mild in-vitro FC1(F)N2[C@@](F)(C(F)(F)C(F)(F)C1(F)F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)F ZINC000064624430 JK Annotated Mild in-vitro FC1(F)N2[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C1(F)F ZINC000064624431 JK Annotated Mild in-vitro c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2 ZINC000064624946 JK Annotated Anodyne in-vitro c1cc2ccc3cc4cc5ccc6ccc7ccc8cc9cc%10ccc1c1c2c3c2c4c3c5c6c7c8c3c9c2c%101 ZINC000064624958 JK Annotated Bother in-vitro O=C(O)c1ccc(C(=O)O)c(-c2c3ccc4cc(O)ccc4c3oc3c2ccc2cc(=O)ccc23)c1 ZINC000064625151 JK Annotated Bother in-vitro COC(=O)c1ccc(C23CC2([C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C3)cc1 ZINC000064645630 JK Annotated Reactive COc1ccc(-c2csc(N(CCCBr)C(=O)c3ccccc3Cl)n2)cc1 ZINC000064654351 JK Annotated Reactive Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)o1 ZINC000064700402 JK Annotated Reactive COC(=O)c1ccc(C#C[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000064700479 JK Annotated Reactive Cc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)s1 ZINC000064744218 JK Annotated Mild CC(C)N1CCC(Oc2cc3cc4n(c3cc2Br)[C@@H](C)CN(CC2CC2)C4=O)CC1 ZINC000064746596 JK Annotated Anodyne CCOC(=O)COc1ccc(N2CC3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000064750257 JK Annotated Mild CCP(=O)(CC)CCc1ccccc1OCCOc1ccccc1CCP(=O)(CC)CC ZINC000006631582 JK Annotated Anodyne Cc1nc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c(=O)n1CC(F)(F)F ZINC000006717089 JK Annotated Anodyne CC(C)(C)c1nc(-c2ccc(F)cc2F)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)(C)C)c3c2)[nH]1 ZINC000006718463 JK Annotated Anodyne COC(=O)CCC/C=C(/c1cc(F)cc(C(F)(F)F)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000006733342 JK Annotated Anodyne O=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12 ZINC000006745269 JK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(CCSCC(=O)O)cc1)c1ccccc1Cl ZINC000006745729 JK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)O)cc1)c1ccccc1Cl ZINC000006745731 JK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)O)cc1)C1=C(Cl)CCC1 ZINC000006745733 JK Annotated Anodyne COc1cc(OCc2csc(NCc3cccnc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653634444 JK Annotated Anodyne COc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653661725 JK Annotated Anodyne COc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(C)ccc6n5)cc34)cs2)cc1 ZINC000653661732 JK Annotated Anodyne Cc1sc2ncnc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c2c1C ZINC000653663067 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653663078 JK Annotated Anodyne Fc1ccc([C@H](F)C2CCN(c3nc4cnc(Br)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000653663527 JK Annotated Anodyne COc1cc(OCc2csc(N3CCSCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653663532 JK Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663552 JK Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663553 JK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653664345 JK Annotated Anodyne CCOC(=O)c1cncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)c1 ZINC000653664363 JK Annotated Anodyne CSc1nc(Cl)cc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653664378 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1 ZINC000653664380 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccnc3ccsc23)cc1 ZINC000653664383 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(C(=O)c2ccc(O)cc2O)[C@H](C)c2ccccc2)cc1 ZINC000653664704 JK Annotated Anodyne COc1cc(OCc2csc(C(C)C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653664882 JK Annotated Anodyne COc1cc(OCc2cccc(-c3cccnc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653664889 JK Annotated Anodyne C[C@H]1CCc2cc(-c3ccc(-c4ccccc4Cl)cn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653665227 JK Annotated Anodyne COc1cc(OCc2csc(N3CCC[C@@H]3C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665236 JK Annotated Anodyne COc1cc(OCc2csc(N3CCC[C@H]3C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665237 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCn3cccn3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653665404 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCn3cccn3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653665405 JK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12 ZINC000653665759 JK Annotated Anodyne Cc1cc(COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)on1 ZINC000653665779 JK Annotated Anodyne Cc1cc(COc2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)on1 ZINC000653665780 JK Annotated Anodyne CCOC(=O)Cn1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653665783 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3csc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653665784 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3csc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653665785 JK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C)nc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653666171 JK Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3cccc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653666175 JK Annotated Anodyne Cc1cc(C)c2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1 ZINC000653666177 JK Annotated Anodyne COc1cc(OCc2csc(N3CCC(F)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653666587 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cncc(-c3cnc(N)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653666675 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cncc(-c3cnc(N)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653666676 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1 ZINC000653666686 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(C(C)(C)O)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653666688 JK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653666910 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3cccc(F)c23)cc1 ZINC000653666921 JK Annotated Anodyne Cc1cc(CNc2ccc(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)c(C)n2)on1 ZINC000653667442 JK Annotated Anodyne CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C ZINC000653667566 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1 ZINC000653667576 JK Annotated Anodyne Cc1c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)ccc2c1NC(=O)C2=O ZINC000653667577 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccncc2C(F)(F)F)cc1 ZINC000653667718 JK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2cc(F)cc(F)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653667741 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000653667747 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(Cl)nc3c2COCC3)cc1 ZINC000653667749 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ncnc3ccsc23)cc1 ZINC000653667750 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccnc3ccccc23)cc1 ZINC000653667754 JK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653667755 JK Annotated Anodyne COc1cc(OCc2csc(N(C)C(C)C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653668350 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(Cl)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653668778 JK Annotated Anodyne COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(Br)sc4n3)oc2c1 ZINC000653668868 JK Annotated Anodyne CCN(CC)c1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653668882 JK Annotated Anodyne COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC ZINC000653668890 JK Annotated Anodyne Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668896 JK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C#N)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669363 JK Annotated Mild Cc1nc(C(F)(F)F)nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c1C ZINC000653669364 JK Annotated Anodyne Brc1sc2n[nH]c(N3C[C@H]4C[C@H]3C[C@H]4OCCN3CCCC3)c2c1-c1ccccc1 ZINC000653669530 JK Annotated Anodyne Brc1sc2n[nH]c(N3C[C@H]4C[C@H]3C[C@@H]4OCCN3CCCC3)c2c1-c1ccccc1 ZINC000653669531 JK Annotated Anodyne COc1cc(OCc2csc(Nc3cccc(C)c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669550 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3c2COCC3)cc1 ZINC000653670151 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(Cl)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653670159 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(Cl)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653670161 JK Annotated Anodyne Cc1cc(COc2ccc(F)c([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 ZINC000653670162 JK Annotated Anodyne Cc1cc(COc2ccc(F)c([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 ZINC000653670163 JK Annotated Anodyne CCN(CC)c1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1 ZINC000653670166 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc3ccccc3cc2CO)cc1 ZINC000653670270 JK Annotated Anodyne Cc1cccc2c1N(C[C@@H]1CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C ZINC000653670273 JK Annotated Anodyne N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1 ZINC000653670274 JK Annotated Mild Cc1nc(N[C@@H](C)c2cncc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653670276 JK Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)C(C)(C)c3cccc(Cl)c32)CC1 ZINC000653670278 JK Annotated Anodyne Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1C ZINC000653670288 JK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(F)nc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653670650 JK Annotated Anodyne CC(C)Nc1cc(Cl)cc(C(=O)C2CCN(c3nc4ccc(C#N)cc4nc3NC(C)C)CC2)c1 ZINC000653670675 JK Annotated Mild Cc1nc(N[C@@H](C)c2cccc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653671212 JK Annotated Anodyne COc1ccc2nc(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)c(C)cc2c1 ZINC000653671214 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3nc(Cl)nc4[nH]ccc34)cc2CC[C@@H]1c1cccnc1 ZINC000653671217 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3nc(Cl)nc4[nH]ccc34)cc2CC[C@H]1c1cccnc1 ZINC000653671218 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653671224 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653671225 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc(-c4ccccc4)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653671228 JK Annotated Anodyne CC1(O)CCC(C2(O)CCN(C(=O)c3ccc(NSc4cccc5scnc45)cc3)CC2)CC1 ZINC000653671238 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N(C)C)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653671266 JK Annotated Anodyne CCOC(=O)Cn1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1 ZINC000653671285 JK Annotated Anodyne C[C@@H]1CCc2cc(-c3ncccc3C(F)(F)F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653671417 JK Annotated Anodyne C[C@H]1CCc2cc(-c3ncccc3C(F)(F)F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653671418 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc4ccccc4nc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653671928 JK Annotated Anodyne COc1cc(OCc2csc(N3CCC(C)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653672746 JK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(F)c(F)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653672848 JK Annotated Anodyne CCN(CC)C(=O)COc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3F)nc(C)n2)c1 ZINC000653672850 JK Annotated Anodyne CCN(CC)C(=O)COc1cccc([C@@H](C)Nc2cc(-c3cccc(OC)c3F)nc(C)n2)c1 ZINC000653672851 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(F)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653672864 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653672866 JK Annotated Anodyne CSc1nn2cc(-c3nc4c(OCc5ccc(C(F)(F)F)cc5)cccc4o3)nc2s1 ZINC000653672873 JK Annotated Anodyne CSc1nc2c(c(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)n1)CCC2 ZINC000653673692 JK Annotated Anodyne CCN1CCC[C@H](COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)C1 ZINC000653673720 JK Annotated Anodyne CCN1CCC[C@@H](COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)C1 ZINC000653673721 JK Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653674083 JK Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653674087 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc(Cl)nc4ccsc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653674088 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ncnc3cccc(F)c23)cc1 ZINC000653676032 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(F)c(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676804 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(Cl)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676805 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccncc2C(F)(F)F)cc1 ZINC000653676808 JK Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)C(C)(C)c3ccc(Cl)cc32)CC1 ZINC000653676814 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@@H]3CCCN(C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653676821 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@H]3CCCN(C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653676822 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@H]3CCCN(C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653676823 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@@H]3CCCN(C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653676824 JK Annotated Anodyne Cc1cc2nc(O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676826 JK Annotated Anodyne CCc1cc2ccccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676833 JK Annotated Anodyne Cc1cc2cc(F)ccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676836 JK Annotated Anodyne COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 ZINC000653676837 JK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676838 JK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676839 JK Annotated Anodyne Cc1c(Cl)nc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676844 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cc(F)cc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676845 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cc(F)cc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676846 JK Annotated Anodyne COc1ccc2nc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c(C)cc2c1 ZINC000653676857 JK Annotated Anodyne CCc1cc2ccccc2nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676859 JK Annotated Anodyne Cc1cc2cc(F)ccc2nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676860 JK Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653677639 JK Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653677640 JK Annotated Anodyne Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1C ZINC000653678244 JK Annotated Anodyne CSc1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2cc[nH]c2n1 ZINC000653678275 JK Annotated Anodyne CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(OCc5cc(C)nn5C)c4)nc(C)n3)cc12 ZINC000653678362 JK Annotated Anodyne CCc1coc2ccc(-c3cc(N[C@H](C)c4cccc(OCc5cc(C)nn5C)c4)nc(C)n3)cc12 ZINC000653678368 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1 ZINC000653678372 JK Annotated Anodyne Cc1cnc(NC2CCCC2)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653678782 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc4ccc(Cl)cc4cc3CO)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653678791 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc(C(F)(F)F)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653679167 JK Annotated Anodyne COc1cc(OCc2csc(NC[C@@H]3CCCO3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679168 JK Annotated Anodyne COc1cc(OCc2csc(NC[C@H]3CCCO3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679169 JK Annotated Anodyne Cc1c(Cl)nc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653679379 JK Annotated Anodyne Cc1csc2ncnc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)c12 ZINC000653679392 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(/C=C/C(=O)NC(C)(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653679751 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(C(=O)c2ccc(O)cc2O)[C@@H](C)c2ccccc2)cc1 ZINC000653679755 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C#N)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653679766 JK Annotated Mild COc1cc(OCc2cccc(-c3ccnc(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679908 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(Cl)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653680447 JK Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1 ZINC000653680449 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653680462 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(Cl)c(N)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653681056 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(NCCO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653681688 JK Annotated Anodyne CSc1nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c2cc[nH]c2n1 ZINC000653681693 JK Annotated Anodyne COc1ccc2nc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)c(C)cc2c1 ZINC000653681698 JK Annotated Anodyne Cc1cc2cccc(C)c2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653681699 JK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(O)c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653681804 JK Annotated Anodyne CCOc1ccc2nc(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)c(C)cc2c1 ZINC000653682124 JK Annotated Anodyne Cc1cc2cc(Cl)ccc2nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653682129 JK Annotated Anodyne CSc1nn2cc(-c3nc4c(OCc5ccccc5-c5ccccc5)cccc4o3)nc2s1 ZINC000653682161 JK Annotated Anodyne COc1cccc(-c2cc(N[C@@H](C)c3cccc(OCc4cc(C)nn4C)c3)nc(C)n2)c1Cl ZINC000653682391 JK Annotated Anodyne COc1cccc(-c2cc(N[C@H](C)c3cccc(OCc4cc(C)nn4C)c3)nc(C)n2)c1Cl ZINC000653682392 JK Annotated Anodyne C[C@]1(F)C(=O)N(C[C@@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccccc21 ZINC000653682403 JK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CN2C(=O)Cc3ccc(F)cc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000653682830 JK Annotated Anodyne Cc1cc(COc2cncc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 ZINC000653682835 JK Annotated Anodyne Cc1cc(COc2cncc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n(C)n1 ZINC000653682836 JK Annotated Anodyne Cc1cc2c(cc1C)[C@](C)(F)C(=O)N2C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)cnc2C)CC1 ZINC000653682839 JK Annotated Anodyne Cc1cc2c(cc1C)[C@@](C)(F)C(=O)N2C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)cnc2C)CC1 ZINC000653682840 JK Annotated Anodyne C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653683854 JK Annotated Anodyne C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653683855 JK Annotated Anodyne C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653683856 JK Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683857 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc(-c4ccsc4)nc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683860 JK Annotated Anodyne Cc1ncc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)C(C)(C)c3ccccc32)CC1 ZINC000653684783 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NC(C)C)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653685040 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4cccc(F)c34)cc2CC[C@@H]1c1cccnc1 ZINC000653685362 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4cccc(F)c34)cc2CC[C@H]1c1cccnc1 ZINC000653685363 JK Annotated Anodyne COc1cc(OCc2csc(CCC3CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653685692 JK Annotated Anodyne C[C@H]1CCc2cc(-c3nc(C(F)(F)F)ccc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653685706 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2cc(F)c(Cl)c(F)c2)n1 ZINC000653686456 JK Annotated Anodyne Cc1c(CCOCCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 ZINC000653686892 JK Annotated Clean CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 ZINC000653687071 JK Annotated Reactive COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc3ccccc3c2)cc(OC)c1OC ZINC000653687086 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 ZINC000653687984 JK Annotated Bother C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 ZINC000653687985 JK Annotated Bother COc1cc(/C=C/C(=O)N(Cc2ccccc2)Cc2cccc3[nH]c4ccccc4c23)ccc1O ZINC000653687990 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 ZINC000653688023 JK Annotated Anodyne C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 ZINC000653688024 JK Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(Br)cc2)cc(OC)c1OC ZINC000653688559 JK Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cccc3ccccc23)cc(OC)c1OC ZINC000653689055 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000653689406 JK Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc3ccccc3c2)n1-c1ccccc1 ZINC000653689445 JK Annotated Mild CC(C)Cc1ccc([C@H](C)c2nnc3n2N=C(c2ccc(OC(F)(F)F)cc2)CS3)cc1 ZINC000653689994 JK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc3n2N=C(c2ccc(OC(F)(F)F)cc2)CS3)cc1 ZINC000653689995 JK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(CC4CC4)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653690508 JK Annotated Anodyne COC(=O)CCCOc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)s2)cc1 ZINC000653691082 JK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nnc4n3N=C(c3ccc(Cl)cc3Cl)CS4)ccc2c1 ZINC000653692164 JK Annotated Anodyne COc1ccc2cc([C@H](C)c3nnc4n3N=C(c3ccc(Cl)cc3Cl)CS4)ccc2c1 ZINC000653692165 JK Annotated Anodyne CCOC(=O)c1c(CSc2ccccc2Cl)n(CC)c2c1cc(OCC)c1ccccc12 ZINC000653692692 JK Annotated Anodyne O=C(NCCc1ccc(N2CCCCC2)cc1)c1[nH]c2ccc(Cl)cc2c1CCN=C=S ZINC000653692750 JK Annotated Reactive [N-]=[N+]=NCCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12 ZINC000653692787 JK Annotated Clean O[C@](CNc1ccc(F)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653692853 JK Annotated Anodyne O[C@@](CNc1ccc(F)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653692854 JK Annotated Anodyne O=c1cc(-c2ccccc2NCc2ccc(-c3ccncc3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653695787 JK Annotated Anodyne Cn1cc(-c2ccc(CNc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653695796 JK Annotated Anodyne CCn1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653695811 JK Annotated Anodyne O=c1cc(-c2ccccc2NCc2ccc(-c3cncnc3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653695812 JK Annotated Anodyne O=c1cc(-c2ccccc2NCc2ccc(-c3ccccc3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653695852 JK Annotated Anodyne C=CCc1ccc(C)c(-c2c(CC=C)cccc2C[C@H]2CC(C)(C)[C@]3(C)CC[C@]4(C)C[C@]23CC[C@H]4O)c1 ZINC000653696828 JK Annotated Mild CCCc1c(Cl)c(O)cc(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653697651 JK Annotated Anodyne CCCc1c(Cl)c(OC)cc(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653697652 JK Annotated Anodyne Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ncc(Cc3ccc(-c4ccccc4)cc3)s2)n1 ZINC000653697688 JK Annotated Anodyne Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ncc(Cc3ccc(-c4ccccc4)cc3)s2)n1 ZINC000653697689 JK Annotated Anodyne CCCc1c(Cl)c(OC)cc(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653697706 JK Annotated Anodyne CCCc1cc(O)c(Cl)c(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653697712 JK Annotated Anodyne CCCCn1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653697782 JK Annotated Anodyne CCCc1c(Cl)c(OC)c(Cl)c(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653699415 JK Annotated Anodyne CCc1cc(CC)nc(SCC(=O)Nc2ncc(Cc3ccc(-c4ccccc4)cc3)s2)n1 ZINC000653699422 JK Annotated Anodyne CCCc1c(Cl)c(O)c(Cl)c(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653699461 JK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3ccncc3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653699620 JK Annotated Anodyne Cn1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)c(F)c2)cn1 ZINC000653699918 JK Annotated Anodyne CC(C)n1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653699921 JK Annotated Anodyne Cn1cc(-c2ccc(COc3c(F)ccc(F)c3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653699924 JK Annotated Anodyne CCCn1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653699929 JK Annotated Anodyne O=C(c1ccccc1)c1nc2nc(CCCCCBr)[nH]c(O)c-2c1-c1ccccc1 ZINC000653700266 JK Annotated Reactive CCCc1c(Cl)c(O)c(Cl)c(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653700516 JK Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cc(Cl)c(Cl)cc3Cl)O2)n1 ZINC000653700732 JK Annotated Anodyne O=c1cc(-c2ccccc2NCc2ccc(Br)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653700775 JK Annotated Anodyne O=c1cc(-c2ccccc2NCc2ccc(-c3cccnc3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653700783 JK Annotated Anodyne CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1C(C)(C)CCCC1(C)C)c1ccccc1CC2 ZINC000653701050 JK Annotated Anodyne Cc1ccc(C(=O)Nc2c(-c3nnc(-c4ccc(C)cc4)o3)oc3nc(C(F)(F)F)ccc23)cc1 ZINC000653703149 JK Annotated Anodyne S=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 ZINC000653704576 JK Annotated Bother O=c1cc(-c2ccccc2OCc2ccc(-c3cncnc3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653705339 JK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)N/N=C/c1cccs1 ZINC000653705949 JK Annotated Reactive O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1nnc(Cc2ccccc2)s1 ZINC000653706354 JK Annotated Anodyne CCCc1cc(O)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 ZINC000653706680 JK Annotated Anodyne C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c1 ZINC000653706704 JK Annotated Mild C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000653706738 JK Annotated Mild COc1ccc2c(c1)[nH]c1cccc(CN(C(=O)/C=C/c3ccc(O)c(OC)c3)C3CCCCC3)c12 ZINC000653707147 JK Annotated Anodyne Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1 ZINC000653708002 JK Annotated Anodyne Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4cc(Cl)ccc34)s2)n1 ZINC000653708036 JK Annotated Anodyne CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1 ZINC000653708064 JK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1 ZINC000653708065 JK Annotated Anodyne COc1cc(/C=C/C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C2CCCCC2)ccc1O ZINC000653708447 JK Annotated Anodyne COc1cc(C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c([N+](=O)[O-])cc1OC ZINC000653708458 JK Annotated Bother COc1cc(C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c([N+](=O)[O-])cc1OC ZINC000653708459 JK Annotated Bother CC1CCN([C@H](c2cccc3ccccc23)c2c(O)ccc3cc(Br)ccc23)CC1 ZINC000653708473 JK Annotated Clean CC1CCN([C@@H](c2cccc3ccccc23)c2c(O)ccc3cc(Br)ccc23)CC1 ZINC000653708474 JK Annotated Clean COc1ccc2c(c1)[nH]c1cccc(CN(Cc3ccccc3)C(=O)/C=C/c3ccc(O)c(OC)c3)c12 ZINC000653708503 JK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3nccs3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653708651 JK Annotated Anodyne CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCCC1 ZINC000653708652 JK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)ccc1O ZINC000653708663 JK Annotated Mild O=c1cc(-c2ccccc2OCc2ccc(Br)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653708677 JK Annotated Anodyne CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000653708779 JK Annotated Anodyne COc1ccc(OC)c([C@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)c1 ZINC000653709670 JK Annotated Anodyne COc1ccc(OC)c([C@@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)c1 ZINC000653709671 JK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 ZINC000653709702 JK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 ZINC000653709703 JK Annotated Anodyne O=[N+]([O-])c1c(F)cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1F ZINC000653709720 JK Annotated Bother COc1ccc([C@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)c(OC)c1 ZINC000653709729 JK Annotated Anodyne COc1ccc([C@@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)c(OC)c1 ZINC000653709730 JK Annotated Anodyne CC(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1 ZINC000653710217 JK Annotated Reactive CC(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1 ZINC000653710218 JK Annotated Reactive CCCCCCCCCCC1=C(O[Si](C)(C)C(C)(C)C)C(=O)N(Cc2ccc(OC)cc2)C1 ZINC000653710328 JK Annotated Reactive CCCS(=O)(=O)Nc1ccc(Cl)c(-c2cc3cnc4n[nH]cc4c3cc2OC)c1Cl ZINC000653712784 JK Annotated Anodyne COc1ccc([C@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)cc1OC ZINC000653712794 JK Annotated Anodyne COc1ccc([C@@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)cc1OC ZINC000653712795 JK Annotated Anodyne COc1ccc([C@@H]2[C@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]4(C)C3=NN2c2ccccc2)cc1 ZINC000653712804 JK Annotated Mild Cc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc(C)c4C)c(N)c(=O)n32)cc1 ZINC000653713150 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc(C)c4C)c(N)c(=O)n32)cc1 ZINC000653713151 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4ccc(Cl)cc4)c(N)c(=O)n32)cc1 ZINC000653713157 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4ccc(Cl)cc4)c(N)c(=O)n32)cc1 ZINC000653713158 JK Annotated Anodyne COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCO[C@H]3c2ccccc2)ccc1-n1cnc(Cl)c1 ZINC000653714793 JK Annotated Anodyne COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCO[C@@H]3c2ccccc2)ccc1-n1cnc(Cl)c1 ZINC000653714795 JK Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3Cl)O2)n1 ZINC000653714991 JK Annotated Anodyne CC1(C)CC[C@@]2(CO)C(=C3C=C[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000653715431 JK Annotated Anodyne CC1(C)CC[C@]2(CO)C(=O)C[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000653715468 JK Annotated Anodyne O=C(Nc1ccccc1F)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653715489 JK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2CC(C)C ZINC000653717181 JK Annotated Mild CCCCCC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000653717183 JK Annotated Mild CCCCCNC(=O)[C@@H](c1ccc2c(c1)OCO2)N(C(=O)CCCC)c1ccc(OC)c(OC)c1 ZINC000653717471 JK Annotated Anodyne CCCCCNC(=O)[C@H](c1ccc2c(c1)OCO2)N(C(=O)CCCC)c1ccc(OC)c(OC)c1 ZINC000653717472 JK Annotated Anodyne CC(C)=CCCC1=COC2=C(C)C(=O)/C(=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3c(C)ccc1c32 ZINC000653717488 JK Annotated Mild O=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 ZINC000653717494 JK Annotated Bother COc1ccc(Br)cc1-c1c(Cc2ccc(F)cc2)nnc(O)c1Br ZINC000653717853 JK Annotated Anodyne COc1ccc(Br)cc1-c1c(Cc2ccccc2Cl)nnc(O)c1Br ZINC000653717856 JK Annotated Anodyne O=C(O)c1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@@H](C(=O)Nc1ccccc1)CS2 ZINC000653718332 JK Annotated Anodyne O=C(O)c1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@H](C(=O)Nc1ccccc1)CS2 ZINC000653718333 JK Annotated Anodyne C=C[C@@](C)(/C=C/c1ccc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)CCC=C(C)C ZINC000653718365 JK Annotated Mild Cc1cc(C)n(Cc2ccc(C(=O)NCC3(c4ccc(-c5ccccc5)cc4)CCOCC3)cc2)n1 ZINC000653718371 JK Annotated Anodyne Cc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000653718396 JK Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc(Cl)c3Cl)cc(=O)n21 ZINC000653718489 JK Annotated Anodyne O=C(Nc1ccccc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc(Cl)c3Cl)cc(=O)n21 ZINC000653718490 JK Annotated Anodyne Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@@H](C(=O)Nc1ccccc1)CS2 ZINC000653718497 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)c(N)c(=O)n32)cc1 ZINC000653718503 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)c(N)c(=O)n32)cc1 ZINC000653718504 JK Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)c(N)c(=O)n32)c1 ZINC000653718506 JK Annotated Anodyne Cc1cccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)c(N)c(=O)n32)c1 ZINC000653718507 JK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1 ZINC000653718777 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4ccc(Cl)cc4)cc(=O)n32)cc1 ZINC000653719871 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4ccc(Cl)cc4)cc(=O)n32)cc1 ZINC000653719872 JK Annotated Anodyne O=C(Nc1ccccc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ncccc34)cc(=O)n21 ZINC000653719912 JK Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ncccc34)cc(=O)n21 ZINC000653719913 JK Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1OC1CCOCC1)c1cc(F)ccc1F ZINC000653719916 JK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000653720242 JK Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C=C[C@@H]3[C@@](C)(C[C@@]3(C(=O)O)[C@@H]3CC[C@H](C)[C@@H]4CC(=O)C(C)=C4C3)[C@@H]2C1 ZINC000653720680 JK Annotated Mild O=C(O)c1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000653720686 JK Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000653720687 JK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000653720688 JK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000653720689 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1Cl ZINC000653721499 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1Cl ZINC000653721500 JK Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@]2(C)[C@H]3C[C@](C(=O)O)([C@@H]4CC[C@H](C)[C@@H]5CC(=O)C(C)=C5C4)[C@H]3C=C(C)[C@@H]2C1 ZINC000653721722 JK Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@]2(C)C(=C(C)[C@@H](O)[C@H]3[C@@H]2C[C@]3(C(=O)O)[C@@H]2CC[C@H](C)[C@@H]3CC(=O)C(C)=C3C2)C1 ZINC000653721767 JK Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@H](C)C2=C(C1)[C@]1(C)C[C@H]2C[C@@]1(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000653721774 JK Annotated Mild CCc1cccc2c1N(C)Cc1cc(OCc3cc(C)nn3C)c(OCc3cc(C)nn3C)cc1-2 ZINC000653721902 JK Annotated Anodyne CCc1cccc2c1N(C)Cc1cc(OCc3cc(C)n(C)n3)c(OCc3cc(C)n(C)n3)cc1-2 ZINC000653721915 JK Annotated Anodyne CC[C@H](C)[C@@H]1CN([C@H](CNC)Cc2ccccc2)CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000653722418 JK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@H](CNC)Cc2ccccc2)CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000653722422 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@]23O[C@@H]13 ZINC000653722791 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@]23O[C@H]13 ZINC000653722798 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@]23O[C@H]13 ZINC000653722801 JK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@]23O[C@@H]13 ZINC000653722804 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CN(C)CC[C@@H]2c2nnc([C@@H]3C[C@H](CC(C)C)C3)n2C2CC2)c(C)c1 ZINC000653723331 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2C[C@@H](O)C[C@@H]2c2nnc([C@@H]3C[C@H](CC(C)C)C3)n2C2CC2)c(C)c1 ZINC000653723333 JK Annotated Anodyne C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12 ZINC000653723339 JK Annotated Bother O=C(O)CCN1CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12 ZINC000653723348 JK Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@H](C)C2=C(C1)[C@@]1(C)C[C@@H]2[C@](C(=O)O)([C@@H]2CC[C@H](C)[C@@H]3CC(=O)C(C)=C3C2)C1 ZINC000653723497 JK Annotated Mild O=C(O)c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc(Cl)c2)ccc1O ZINC000653723524 JK Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc(Cl)c2)ccc1O ZINC000653723525 JK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc(Cl)c2)ccc1O ZINC000653723526 JK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc(Cl)c2)ccc1O ZINC000653723527 JK Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@H](C)C2=C(C1)[C@]1(C)C[C@H]2C[C@@]1(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2[C@H]1O ZINC000653723559 JK Annotated Mild CN(C)c1ccc(/C=C/C(=O)/C(CNc2ccccc2)=C(O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000653723589 JK Annotated Mild CCOC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000653724579 JK Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@]23C[C@H](C(C)=C2C1)[C@]1(C3)C(=O)O[C@]23C[C@H]1CC[C@H](C)[C@@H]2CC[C@]3(C)O ZINC000653724727 JK Annotated Mild CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC6(OCCO6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)CC1 ZINC000653725591 JK Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)/C(CNc2ccc(F)cc2)=C(O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000653726157 JK Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@]2(C)[C@@H](C1)C(C)=C[C@@H](OC(=O)C(=C)[C@@H]1CC[C@H](C)[C@@H]3CC(=O)C(C)=C3C1)[C@@H]2O ZINC000653726161 JK Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)C(=C)[C@@H]3CC[C@H](C)[C@@H]4CC(=O)C(C)=C4C3)C[C@@](C)(O)[C@@H]2C1 ZINC000653726214 JK Annotated Mild Cc1ccc(N2C(=O)CS[C@@H]2c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000653726414 JK Annotated Anodyne Cc1ccc(N2C(=O)CS[C@H]2c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000653726415 JK Annotated Anodyne COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc3ccccc3c2)c1 ZINC000653727798 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000653727898 JK Annotated Clean COc1ccccc1NC/C(C(=O)/C=C/c1ccc(N(C)C)cc1)=C(O)\C=C\c1ccc(N(C)C)cc1 ZINC000653727946 JK Annotated Mild CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000653729619 JK Annotated Anodyne CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000653729620 JK Annotated Anodyne C[C@@H]1Cc2cc(O)ccc2[C@@H](c2ccc(/C=C/C(=O)O)cc2)N1c1ccc(OC(F)(F)F)cc1 ZINC000653730586 JK Annotated Clean Cc1cc(C)n(-c2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)n1 ZINC000653730869 JK Annotated Anodyne Cc1c(O)nc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1[C@@H](C)c1c(Cl)cccc1Cl ZINC000653732493 JK Annotated Clean Cc1c(O)nc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1[C@H](C)c1c(Cl)cccc1Cl ZINC000653732494 JK Annotated Clean Cc1ccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 ZINC000653732507 JK Annotated Bother COc1ccc(Cl)cc1-c1c(Cc2ccc(C(F)(F)F)cc2)nnc(O)c1Br ZINC000653733674 JK Annotated Anodyne O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c2ccccc2c1O ZINC000653733687 JK Annotated Clean COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000653733741 JK Annotated Anodyne COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000653733752 JK Annotated Anodyne CC/C(=N\Nc1nc(-c2ccc(Br)cc2)c(C)s1)c1cccc(Br)c1 ZINC000653733760 JK Annotated Mild COc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC ZINC000653735467 JK Annotated Mild Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)nc(Nc2ccc(C#N)cc2)n1 ZINC000653735495 JK Annotated Mild O=C(CSc1ccc(Br)cc1)c1c[nH]c2c(I)cccc12 ZINC000653735639 JK Annotated Anodyne CC(=O)Nc1c[nH]c2ccc(-c3cnc4ccccc4c3)cc2c1=Nc1ccc(C(C)(C)C#N)cc1 ZINC000653735640 JK Annotated Mild COc1cc(N=c2c(NC(C)=O)c[nH]c3ccc(-c4cnc5ccccc5c4)cc23)cc(OC)c1 ZINC000653735684 JK Annotated Anodyne CC(=O)C1=C(CNc2ccc(C(=O)/C=C/c3ccccc3)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000653737350 JK Annotated Mild CC(=O)C1=C(CNc2ccc(C(=O)/C=C/c3ccccc3)cc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000653737351 JK Annotated Mild Cc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nc(Nc3cccc(C#N)c3)n2)c(C)c1 ZINC000653737367 JK Annotated Mild COc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC ZINC000653737387 JK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C#N)=C[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653737451 JK Annotated Reactive COc1cccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cccc(OC)c3Cl)C2=O)c1Cl ZINC000653737541 JK Annotated Mild Cc1cnc(Nc2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)s1 ZINC000653737675 JK Annotated Anodyne CCCCN(CC1CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000653738031 JK Annotated Anodyne C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OCC)[C@@H]1CC[C@](C)(CNC(=S)Nc1ccccc1)C2 ZINC000653738118 JK Annotated Mild CC(=O)C1=C(CNc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000653738145 JK Annotated Mild CC(=O)C1=C(CNc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000653738149 JK Annotated Mild Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)c1 ZINC000653738900 JK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(F)cc1 ZINC000653738901 JK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1 ZINC000653738925 JK Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000653738928 JK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)O/C1=C\c1ccccc1Cl ZINC000653738943 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653739191 JK Annotated Reactive O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccc(Br)cc12 ZINC000653739192 JK Annotated Bother C=C1CC[C@H]2[C@]3(C)C[C@@H](C=C(C)C)O[C@@H]3CC[C@]2(C)[C@@H]1Cc1c(OC(C)=O)c(C)c(C)oc1=O ZINC000653739249 JK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000653739264 JK Annotated Anodyne C=C(C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C(C[C@]35O[C@@H]5C[C@]12C)C(=O)C[C@H](O)C4(C)C ZINC000653739274 JK Annotated Mild C=C[C@@](C)(/C=C/c1ccc(O)c(/C=C/C(=O)NCc2ccc(C(F)(F)F)cc2)c1)CCC=C(C)C ZINC000653739779 JK Annotated Mild CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(C)cc1 ZINC000653740469 JK Annotated Anodyne CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(C)cc1 ZINC000653740470 JK Annotated Anodyne COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC ZINC000653740755 JK Annotated Mild O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1cc(-c2ccc(Br)cc2)ncn1 ZINC000653742631 JK Annotated Anodyne COCCSCCC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000653745032 JK Annotated Mild Cc1c(C(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)cc2)nnn1-c1ccc(F)c(Cl)c1 ZINC000653746383 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](NC(=S)NC4CCCCC4)[C@@](C)(CC[C@@H]21)C3 ZINC000653746593 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](NC(=S)Nc4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000653746709 JK Annotated Anodyne COc1ccc(/C=C2\COC/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC ZINC000653747431 JK Annotated Mild COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1 ZINC000653747925 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1 ZINC000653747926 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3cc2CO)cc1 ZINC000653747929 JK Annotated Anodyne Cc1cc2cc(Cl)ccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653747974 JK Annotated Anodyne Cc1c(Cl)ncc2cc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)ccc12 ZINC000653748011 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC(=O)O)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653748698 JK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(C)c(O)cc2O)cc1 ZINC000653748700 JK Annotated Anodyne CNC(=O)O[C@@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@@H](C)c1ccc(OC)c(OC)c1F ZINC000653748780 JK Annotated Anodyne CNC(=O)O[C@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@@H](C)c1ccc(OC)c(OC)c1F ZINC000653748781 JK Annotated Anodyne CNC(=O)O[C@@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@H](C)c1ccc(OC)c(OC)c1F ZINC000653748782 JK Annotated Anodyne CNC(=O)O[C@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@H](C)c1ccc(OC)c(OC)c1F ZINC000653748783 JK Annotated Anodyne COc1ccc([C@@H](C)[C@@H](OC(=O)N(C)C)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748789 JK Annotated Anodyne COc1ccc([C@H](C)[C@H](OC(=O)N(C)C)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748790 JK Annotated Anodyne COc1ccc([C@H](C)[C@@H](OC(=O)N(C)C)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748791 JK Annotated Anodyne COc1ccc([C@@H](C)[C@H](OC(=O)N(C)C)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748792 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc4c(c3)OCCN4C)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653748808 JK Annotated Anodyne COc1ccc(C[C@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748813 JK Annotated Anodyne COc1ccc(C[C@@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748814 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1F)[C@@H](OC(=O)C1CC1)c1ccc2c(c1OC)C=CC(C)(C)O2 ZINC000653748816 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1F)[C@H](OC(=O)C1CC1)c1ccc2c(c1OC)C=CC(C)(C)O2 ZINC000653748817 JK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1F)[C@H](OC(=O)C1CC1)c1ccc2c(c1OC)C=CC(C)(C)O2 ZINC000653748818 JK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1F)[C@@H](OC(=O)C1CC1)c1ccc2c(c1OC)C=CC(C)(C)O2 ZINC000653748819 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(CO)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653748822 JK Annotated Anodyne CCC(=O)O[C@H](c1ccc2c(c1OC)C=CC(C)(C)O2)C(C)(C)c1ccc(OC)c(OC)c1F ZINC000653748823 JK Annotated Anodyne CCC(=O)O[C@@H](c1ccc2c(c1OC)C=CC(C)(C)O2)C(C)(C)c1ccc(OC)c(OC)c1F ZINC000653748824 JK Annotated Anodyne COc1ccc([C@@H](C)[C@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748836 JK Annotated Anodyne COc1ccc([C@@H](C)[C@@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748837 JK Annotated Anodyne COc1ccc([C@H](C)[C@@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748838 JK Annotated Anodyne COc1ccc([C@H](C)[C@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748839 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2C2CCCCC2)n1 ZINC000653749345 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2C2CCCCC2)n1 ZINC000653749347 JK Annotated Anodyne CCNc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653749410 JK Annotated Anodyne CC(C)(C)[Si](C)(C)C#Cc1csc2c(=NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)[nH]c12 ZINC000653750409 JK Annotated Mild COc1ccc(C(C)(C)[C@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653751533 JK Annotated Anodyne COc1ccc(C(C)(C)[C@@H](OC(=O)C2CC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653751534 JK Annotated Anodyne COc1ccc([C@H](C)[C@H](OC(=O)C2CCC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653751542 JK Annotated Anodyne COc1ccc([C@@H](C)[C@H](OC(=O)C2CCC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653751543 JK Annotated Anodyne COc1ccc([C@H](C)[C@@H](OC(=O)C2CCC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653751544 JK Annotated Anodyne COc1ccc([C@@H](C)[C@@H](OC(=O)C2CCC2)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653751545 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ncnc3cccc(F)c23)cc1 ZINC000653752884 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ncnc3ccc(Cl)cc23)cc1 ZINC000653752897 JK Annotated Anodyne CC(=O)Nc1ccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 ZINC000653752952 JK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CN2C(=O)Cc3ccc(Cl)cc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000653753046 JK Annotated Anodyne O=C1CS[C@H](c2ccc(Br)cc2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653754328 JK Annotated Anodyne O=C1CS[C@@H](c2ccc(Br)cc2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653754329 JK Annotated Anodyne CNC(=O)c1c[nH]c2ccc(-c3cnc4ccccc4c3)cc2c1=Nc1ccc(C(C)(C)C#N)cc1 ZINC000653754330 JK Annotated Mild CC(C)(C#N)c1ccc(N=c2c(C(N)=O)c[nH]c3ccc(-c4cnc5ccccc5c4)cc23)cc1 ZINC000653754349 JK Annotated Mild CCOC(=O)c1cncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c1 ZINC000653754857 JK Annotated Anodyne CCOC(=O)c1cncc(-c2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c1 ZINC000653754862 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(Cl)c3c2)n1 ZINC000653754907 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(F)c3)c2)cc(-c2ccc3scc(C)c3c2)n1 ZINC000653754920 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nn3cccc23)cc1 ZINC000653754924 JK Annotated Anodyne O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755603 JK Annotated Anodyne O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755604 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC3CCNCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653755621 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC3CCNCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653755623 JK Annotated Anodyne COc1ccc(OC)c([C@@H]2SCC(=O)N2c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000653755636 JK Annotated Anodyne COc1ccc(OC)c([C@H]2SCC(=O)N2c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000653755638 JK Annotated Anodyne Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(CO[C@H](C)C(=O)O)c2)n1 ZINC000653755645 JK Annotated Anodyne Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(CO[C@@H](C)C(=O)O)c2)n1 ZINC000653755647 JK Annotated Anodyne CCc1cnc(C)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653755650 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(F)nc3)c2)cc(-c2ccc3scc(C)c3c2)n1 ZINC000653755654 JK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653755661 JK Annotated Anodyne Cc1c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)ccc2n[nH]cc12 ZINC000653755664 JK Annotated Anodyne O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755680 JK Annotated Anodyne O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755681 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(Cl)c(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653755687 JK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653755693 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3noc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653755702 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3noc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653755705 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(Cl)c(C)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653755708 JK Annotated Anodyne COc1cc(-c2cc(N[C@@H](C)c3cccc(OCc4cc(C)nn4C)c3)nc(C)n2)ccc1C ZINC000653756181 JK Annotated Anodyne COc1cc(-c2cc(N[C@H](C)c3cccc(OCc4cc(C)nn4C)c3)nc(C)n2)ccc1C ZINC000653756183 JK Annotated Anodyne NC(=O)c1c[nH]c2ccc(-c3cnc4ccccc4c3)cc2c1=Nc1cccc(C(F)(F)F)c1 ZINC000653757105 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC[C@H](O)c3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758344 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC[C@H](O)c3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758345 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccc(F)c(OCc3ccnn3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758368 JK Annotated Anodyne Cc1nc(N[C@H](C)c2ccc(F)c(OCc3ccnn3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758369 JK Annotated Anodyne Fc1ccc(-c2csc3nc(Cl)nc(N4CCC(COCCN5CCCC5)CC4)c23)cc1 ZINC000653758380 JK Annotated Anodyne CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N)nc5)c4)nc(C)n3)cc12 ZINC000653758381 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ncnc3ccc(Cl)cc23)cc1 ZINC000653760518 JK Annotated Anodyne CCOC(=O)c1ccccc1-c1c2ccoc2c(OCCN2CCCCC2)c2oc(=O)ccc12 ZINC000653760929 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnccc3Cl)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653762229 JK Annotated Anodyne O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1 ZINC000653762260 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(C(N)=O)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653762277 JK Annotated Anodyne O=C(c1ccccc1)c1cc2c(F)c(F)c(Oc3ccccc3Br)c(F)c2s1 ZINC000653762721 JK Annotated Anodyne S=C(Nc1ccccc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 ZINC000653762722 JK Annotated Bother CC(C)(C)c1ccc(Sc2c(F)c(F)c3cc(C(=O)c4ccccc4)sc3c2F)cc1 ZINC000653762767 JK Annotated Anodyne O=C(c1ccccc1)c1cc2c(F)c(F)c(Sc3ccccc3Br)c(F)c2s1 ZINC000653762806 JK Annotated Anodyne COc1ccc(CCc2cc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F ZINC000653762924 JK Annotated Anodyne CCC(=O)O[C@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@H](C)c1ccc(OC)c(OC)c1F ZINC000653763512 JK Annotated Anodyne CCC(=O)O[C@@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@H](C)c1ccc(OC)c(OC)c1F ZINC000653763517 JK Annotated Anodyne CCC(=O)O[C@@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@@H](C)c1ccc(OC)c(OC)c1F ZINC000653763518 JK Annotated Anodyne CCC(=O)O[C@H](c1ccc2c(c1OC)C=CC(C)(C)O2)[C@@H](C)c1ccc(OC)c(OC)c1F ZINC000653763521 JK Annotated Anodyne COc1ccc(C(C)(C)[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653763522 JK Annotated Anodyne COc1ccc(C(C)(C)[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653763529 JK Annotated Anodyne Cc1cnc(-c2ccccc2)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653763564 JK Annotated Anodyne COc1ccc(C2([C@@H](OC(C)=O)c3ccc4c(c3OC)C=CC(C)(C)O4)CC2)c(F)c1OC ZINC000653763576 JK Annotated Anodyne COc1ccc(C2([C@H](OC(C)=O)c3ccc4c(c3OC)C=CC(C)(C)O4)CC2)c(F)c1OC ZINC000653763577 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(F)c(C)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653763857 JK Annotated Anodyne Cc1csc2ncnc(-c3ccc(N(Cc4ccccc4)C(=O)c4ccc(O)cc4O)cc3)c12 ZINC000653763864 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1 ZINC000653763889 JK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000653764328 JK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc(F)c(Cl)c2)cc(OC)c1OC ZINC000653764335 JK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000653764368 JK Annotated Anodyne COc1cc(F)ccc1-c1c(-c2cc(OC)c(OC)c(OC)c2)nc2sc(C3CC3)nn12 ZINC000653764376 JK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)nc3sc(C4CC4)nn23)cc1OC ZINC000653764393 JK Annotated Anodyne COc1ccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(Cl)c1 ZINC000653764994 JK Annotated Anodyne CSc1nn2cc(-c3nc4ccc(OCc5ccc(C(F)(F)F)cc5)cc4o3)nc2s1 ZINC000653764995 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(F)nc3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653765000 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3ccc(F)nc3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653765001 JK Annotated Anodyne Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C ZINC000653765518 JK Annotated Anodyne Cc1cc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)ccc1-c1nc(Cl)ncc1C ZINC000653765586 JK Annotated Anodyne O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000653765590 JK Annotated Reactive COc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1 ZINC000653766281 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCn3ccnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653767396 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCn3ccnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653767397 JK Annotated Anodyne CSc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OCc5ccccc5)cc4o3)nc2s1 ZINC000653767405 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCn3ccnc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653767418 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCn3ccnc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653767419 JK Annotated Anodyne CCN(CC)C(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 ZINC000653767429 JK Annotated Anodyne CCN(CC)C(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 ZINC000653767430 JK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccc(Sc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000653767516 JK Annotated Anodyne Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(Cl)cc1Cl)CCN(Cc1ccccc1)C3 ZINC000653767659 JK Annotated Mild ClC1=C(Cn2cc(COc3cccc4cccnc34)nn2)CCOc2ccc(Cl)cc21 ZINC000653767895 JK Annotated Anodyne Cc1cc(COc2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)n(C)n1 ZINC000653767948 JK Annotated Anodyne Cc1cc(COc2cccc([C@@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)n(C)n1 ZINC000653767949 JK Annotated Anodyne Cc1cc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)ccc1-c1nc2cc(F)ccc2cc1C ZINC000653767967 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1F ZINC000653767990 JK Annotated Anodyne Cc1cnc(-c2cccnc2)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767992 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653768309 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653768310 JK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OCc5ccccc5)cc4o3)nc2s1 ZINC000653768335 JK Annotated Anodyne Clc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(I)cc3)cc2)no1 ZINC000653768352 JK Annotated Anodyne O=S(=O)(Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1)c1ccc(Cl)cc1 ZINC000653768390 JK Annotated Bother Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 ZINC000653768405 JK Annotated Bother CNc1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653768440 JK Annotated Anodyne CNc1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1 ZINC000653768467 JK Annotated Anodyne CC(=O)Nc1ccc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 ZINC000653768952 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N(C)C)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653769235 JK Annotated Anodyne COc1ccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(OC)c1 ZINC000653769236 JK Annotated Anodyne Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1C ZINC000653769936 JK Annotated Anodyne Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc3)c2c1 ZINC000653769944 JK Annotated Bother CSc1nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c2cc[nH]c2n1 ZINC000653771339 JK Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1 ZINC000653771342 JK Annotated Anodyne Cc1csc2ncnc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c12 ZINC000653771357 JK Annotated Anodyne COc1ccc2c(c1)[nH]c1cccc(CN(C(=O)/C=C/c3ccc(O)c(OC)c3)C3CCCC3)c12 ZINC000653771376 JK Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCCC1 ZINC000653771401 JK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(C)cc3n2C2CCCC2)cc1 ZINC000653771419 JK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000653773138 JK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1C ZINC000653773159 JK Annotated Anodyne CCNc1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653773167 JK Annotated Anodyne CSc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cccc4o3)nc2s1 ZINC000653773168 JK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1F ZINC000653773172 JK Annotated Anodyne COc1ccc(CCC(=O)C2=C(O)C(CC=C(C)C)=C3OC(C)(C)C=C[C@@]3(CC=C(C)C)C2=O)cc1 ZINC000653773185 JK Annotated Mild COc1ccc(CCC(=O)C2=C(O)C(CC=C(C)C)=C3OC(C)(C)C=C[C@]3(CC=C(C)C)C2=O)cc1 ZINC000653773186 JK Annotated Mild Nc1nc(-c2ccccc2)cc(-c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)n1 ZINC000653773192 JK Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 ZINC000653773230 JK Annotated Bother O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 ZINC000653773231 JK Annotated Bother S=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 ZINC000653773238 JK Annotated Bother CCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1 ZINC000653774472 JK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(C4CC4)cc3n2C2CCCC2)cc1 ZINC000653774501 JK Annotated Anodyne CC(C)c1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1 ZINC000653774509 JK Annotated Anodyne CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1 ZINC000653774524 JK Annotated Anodyne CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCCC1 ZINC000653774624 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(Cl)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775403 JK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775409 JK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775426 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccc(F)c(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653775431 JK Annotated Anodyne Cc1nc(N[C@H](C)c2ccc(F)c(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653775432 JK Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2-c1ccccc1 ZINC000653775567 JK Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCCC1 ZINC000653775568 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(C(F)(F)F)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653775791 JK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cncc(C(F)(F)F)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653775792 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653775806 JK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000653776522 JK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000653776534 JK Annotated Anodyne COc1ccc2[nH]c3cc(Cl)ccc3c(=Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1 ZINC000653776546 JK Annotated Bother Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCC1 ZINC000653776557 JK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)Oc1cccc2c1C(=O)C=C(C)C2=O ZINC000653776560 JK Annotated Mild Cc1cc(F)c2c(C(N)=O)c(-c3ccc(NS(=O)(=O)C(C)(C)C)cc3)n(C3CCCC3)c2c1 ZINC000653776575 JK Annotated Anodyne O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12 ZINC000653777903 JK Annotated Anodyne COc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000653777920 JK Annotated Clean CN(C)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000653777931 JK Annotated Clean O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc(CCl)cc1 ZINC000653778045 JK Annotated Reactive O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000653778051 JK Annotated Reactive Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653778054 JK Annotated Anodyne O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc(CCl)cc1 ZINC000653778060 JK Annotated Reactive O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccccc1Cl ZINC000653778065 JK Annotated Reactive COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2C2CCCCCC2)n1 ZINC000653778070 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2C2CCCCCC2)n1 ZINC000653778071 JK Annotated Anodyne O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000653778094 JK Annotated Reactive CS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)c1 ZINC000653778379 JK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653778400 JK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCCO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653778409 JK Annotated Anodyne Cc1ncc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)n1 ZINC000653778424 JK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653778436 JK Annotated Anodyne OCCCc1cc(F)c(OCc2c(-c3ccc(Cl)cc3F)nsc2C(F)(F)F)c(F)c1 ZINC000653779469 JK Annotated Anodyne COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000653779473 JK Annotated Clean O=C1C(=Cc2ccc(Cl)cc2Cl)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000653779477 JK Annotated Clean CCc1nn2c(-c3ccc(OC(F)(F)F)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653779521 JK Annotated Anodyne CCc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653779564 JK Annotated Anodyne CCOC(=O)c1ccc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)cc1 ZINC000653780739 JK Annotated Clean CCOC(=O)c1ccc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)cc1 ZINC000653780740 JK Annotated Clean C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653780747 JK Annotated Mild CC(C)c1ccc2c(c1)/C(=N/OCCNC(=O)c1cccs1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000653781591 JK Annotated Mild CC1=C(C)[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]3CC5)O2)OC1=O ZINC000653782539 JK Annotated Mild CC1=C(C)[C@@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]3CC5)O2)OC1=O ZINC000653782540 JK Annotated Mild CC1=C(C)[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000653782627 JK Annotated Anodyne CC1=C(C)[C@@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000653782628 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000653782632 JK Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc5ccccc5c4)c4ccccc43)[C@H]12 ZINC000653783625 JK Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc5ccccc5c4)c4ccccc43)[C@H]12 ZINC000653783628 JK Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc5ccccc5c4)c4ccccc43)[C@@H]12 ZINC000653783631 JK Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3c[n+](Cc4ccc5ccccc5c4)c4ccccc43)[C@@H]12 ZINC000653783634 JK Annotated Anodyne COc1cccc2cc(-c3csc(-n4cc(C=O)c(-c5ccc(Cl)cc5)n4)n3)c(=O)oc12 ZINC000653784775 JK Annotated Anodyne Cc1ccc(-c2nn(-c3nc(-c4cc5cc(Cl)cc(Cl)c5oc4=O)cs3)cc2C=O)cc1 ZINC000653784789 JK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)nc1-c1ccccc1 ZINC000653784809 JK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)nc1-c1ccccc1 ZINC000653784856 JK Annotated Anodyne Cc1ccc(-c2nn(-c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)cc2C=O)cc1 ZINC000653784871 JK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)nc1-c1ccc(Cl)cc1 ZINC000653786087 JK Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000653786516 JK Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000653786519 JK Annotated Anodyne O=C1O[C@@H](CSc2cccs2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653787449 JK Annotated Anodyne Br[C@@H]1[C@@H](c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]1c1c[nH]c2ccccc12 ZINC000653788055 JK Annotated Reactive Br[C@H]1[C@@H](c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2[C@@H]1c1c[nH]c2ccccc12 ZINC000653788056 JK Annotated Reactive CC(=O)n1cc([C@@H]2CC[C@H](c3cn(C(C)=O)c4ccccc34)c3c2[nH]c2ccccc32)c2ccccc21 ZINC000653790895 JK Annotated Anodyne CCOC(=O)c1cc2cc(OC)c(O)c(CN3CCCC3)c2nc1CSc1ccccc1 ZINC000653790957 JK Annotated Clean CCCCCCCCC(=O)c1cccc2c1C=C(CCCCCCC)[C@@]1(OCc3c(O)cccc31)O2 ZINC000653790970 JK Annotated Mild CCCCCCCCC(=O)c1cccc2c1C=C(CCCCCCC)[C@]1(OCc3c(O)cccc31)O2 ZINC000653790971 JK Annotated Mild C[S@@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2Br)cc1Cl ZINC000653791362 JK Annotated Anodyne C[S@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2Br)cc1Cl ZINC000653791368 JK Annotated Anodyne C[S@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2Br)cc1Cl ZINC000653791372 JK Annotated Anodyne C[S@@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2Br)cc1Cl ZINC000653791373 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3cccc(Cl)c3F)C[C@]2(O)c2ccc(C)cc2)cc1F ZINC000653792888 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3cccc(Cl)c3F)C[C@@]2(O)c2ccc(C)cc2)cc1F ZINC000653792890 JK Annotated Anodyne CC(C)Cn1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2CC(C)C)nc2ccccc21 ZINC000653792992 JK Annotated Mild O=c1[nH]nc(-c2c[nH]c(-c3ccccc3)c2-c2ccccc2)c2cn(-c3ccc(Cl)cc3)nc12 ZINC000653793918 JK Annotated Anodyne COC(=O)/C=C/c1cnc2[nH]c(/C(=C\C3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)cc2c1 ZINC000653795044 JK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000653795349 JK Annotated Mild O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cnc2ccccc2c1 ZINC000653798376 JK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(OC)c(F)c3)[C@@](O)(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000653799307 JK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(OC)c(F)c3)[C@](O)(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000653799308 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653799331 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653799335 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653799409 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653799415 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl ZINC000653799697 JK Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl ZINC000653799698 JK Annotated Anodyne Cc1nc2ccc(Nc3nc(Cl)nc(Nc4ccc(F)cc4)n3)cc2n1Cc1ccccc1 ZINC000653799709 JK Annotated Anodyne CC1(C)COP(=O)(c2ccc([C@H](CC3CCCC3)c3cc4cccnc4[nH]3)cc2Cl)OC1 ZINC000653799713 JK Annotated Anodyne CC1(C)COP(=O)(c2ccc([C@@H](CC3CCCC3)c3cc4cccnc4[nH]3)cc2Cl)OC1 ZINC000653799714 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(C)c(F)c3)C[C@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653801225 JK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(C)c(F)c3)C[C@@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653801228 JK Annotated Anodyne CCC[C@H](C)n1c(/C=C/C(=O)/C=C/C=C/c2nc3ccccc3n2[C@H](C)CCC)nc2ccccc21 ZINC000653801271 JK Annotated Mild CCC[C@H](C)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@H](C)CCC)nc2ccccc21 ZINC000653801274 JK Annotated Mild CCC[C@@H](C)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@H](C)CCC)nc2ccccc21 ZINC000653801277 JK Annotated Mild CCC[C@H](C)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@@H](C)CCC)nc2ccccc21 ZINC000653801278 JK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc(Cl)cc2)cc1 ZINC000653801282 JK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc(Cl)cc2)cc1 ZINC000653801284 JK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc(Cl)cc2)cc1 ZINC000653801285 JK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc(Cl)cc2)cc1 ZINC000653801288 JK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653801324 JK Annotated Bother COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653801325 JK Annotated Bother COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653801326 JK Annotated Bother COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653801327 JK Annotated Bother CC[C@H](C)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@@H](C)CC)nc2ccccc21 ZINC000653801333 JK Annotated Mild CC[C@@H](C)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@H](C)CC)nc2ccccc21 ZINC000653801334 JK Annotated Mild CC[C@H](C)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2[C@H](C)CC)nc2ccccc21 ZINC000653801335 JK Annotated Mild CC[C@H](C)n1c(/C=C/C(=O)/C=C/C=C/c2nc3ccccc3n2[C@H](C)CC)nc2ccccc21 ZINC000653801336 JK Annotated Mild C[S@](=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653801601 JK Annotated Anodyne C[S@@](=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653801602 JK Annotated Anodyne C[S@](=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653801603 JK Annotated Anodyne C[S@@](=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653801604 JK Annotated Anodyne c1cc(C2=NCCCCN2)ccc1OCCCCCCCOc1ccc(C2=NCCCCN2)cc1 ZINC000653802021 JK Annotated Anodyne c1cc(C2=NCCCCN2)ccc1OCCCCCCCCOc1ccc(C2=NCCCCN2)cc1 ZINC000653802025 JK Annotated Anodyne CC(C)CCn1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2CCC(C)C)nc2ccccc21 ZINC000653803258 JK Annotated Mild CCC(CC)n1c(/C=C/C=C/C(=O)/C=C/c2nc3ccccc3n2C(CC)CC)nc2ccccc21 ZINC000653803294 JK Annotated Mild CS(=O)(=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653803297 JK Annotated Anodyne CS(=O)(=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653803298 JK Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)s1 ZINC000653803800 JK Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)s1 ZINC000653803805 JK Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ccc4ncccc4n3)nc(Cl)c2C)s1 ZINC000653803806 JK Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ncccc4n3)nc(Cl)c2C)s1 ZINC000653803808 JK Annotated Anodyne CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c(-c2cccc(Br)c2)s1 ZINC000653804959 JK Annotated Anodyne N=c1sc(-c2cccs2)nn1CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000653804989 JK Annotated Anodyne N=c1sc(-c2cccs2)nn1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000653805009 JK Annotated Anodyne O=C(O)c1ccc(N[C@H](c2ccc3ccccc3c2O)c2c(F)cc(Br)cc2F)cc1 ZINC000653805040 JK Annotated Clean O=C(O)c1ccc(N[C@@H](c2ccc3ccccc3c2O)c2c(F)cc(Br)cc2F)cc1 ZINC000653805041 JK Annotated Clean C/C(=N\Nc1ccc(C)cc1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2ccc(C)cc2)c1O ZINC000653805763 JK Annotated Mild CCCCCCSc1nnc(S(=O)(=O)C[C@H]2CC=C(C(C)C)[C@]23C=CC(=O)CC3)s1 ZINC000653805779 JK Annotated Mild C/C(=N\Nc1cccc(C)c1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2cccc(C)c2)c1O ZINC000653805895 JK Annotated Mild O=C(O)c1ccc(N[C@@H](c2ccc3cccnc3c2O)c2c(F)cc(Br)cc2F)cc1 ZINC000653808067 JK Annotated Clean O=C(O)c1ccc(N[C@H](c2ccc3cccnc3c2O)c2c(F)cc(Br)cc2F)cc1 ZINC000653808072 JK Annotated Clean COC(=O)/C=C/c1cnc2[nH]c(/C(=C/C3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)cc2c1 ZINC000653808308 JK Annotated Anodyne CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653808327 JK Annotated Anodyne CS(=O)(=O)c1ccc(/C(=C/C2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653808328 JK Annotated Anodyne C/C(=N\Nc1ccc(F)cc1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2ccc(F)cc2)c1O ZINC000653808331 JK Annotated Mild CS(=O)(=O)c1ccc([C@H](CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653808354 JK Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)c2cc3cc(Br)cnc3[nH]2)cc1Cl ZINC000653808356 JK Annotated Anodyne COC(=O)/C=C/c1cnc2[nH]c([C@H](CC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)cc2c1 ZINC000653808481 JK Annotated Anodyne COC(=O)/C=C/c1cnc2[nH]c([C@@H](CC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)cc2c1 ZINC000653808486 JK Annotated Anodyne CCOc1cc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@H](CN3C2=O)[C@@H]45)ccc1OCc1ccccc1 ZINC000653808757 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000653810006 JK Annotated Anodyne CC(C)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@]12CC[C@@]1(O[Si](C)(C)C(C)(C)C)O[C@H]1C2 ZINC000653810950 JK Annotated Reactive CN(C)c1ccc(/C=C2/SC(=Nc3nc4cc(-c5ccc(Cl)cc5)sc4s3)NC2=O)cc1 ZINC000653812613 JK Annotated Mild O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 ZINC000653812667 JK Annotated Bother O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 ZINC000653812672 JK Annotated Bother O=C1C[C@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 ZINC000653812676 JK Annotated Bother O=C1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 ZINC000653812680 JK Annotated Bother O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2ccccc2OC(F)(F)F)nn1 ZINC000653813203 JK Annotated Anodyne COc1cccc([C@@]2(O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3CC[C@@H]2CN(C)C)c1 ZINC000653813340 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)/C=C/c2ccc3c(c2)Sc2ccccc2N3C)n2ccccc12 ZINC000653816318 JK Annotated Mild CCOC(=O)c1cc(C(=O)/C=C/c2ccc3c(c2)Sc2ccccc2N3C)n2ccc(C)cc12 ZINC000653816373 JK Annotated Mild C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(CCO)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653816385 JK Annotated Anodyne C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(CCO)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653816391 JK Annotated Anodyne CCOC(=O)c1cc(C(=O)/C=C/c2ccc3c(c2)Sc2ccccc2N3C)n2ccc(OC)cc12 ZINC000653816445 JK Annotated Mild CCOC(=O)c1cc(C(=O)/C=C/c2ccc3c(c2)Sc2ccccc2N3C)n2c(C)cccc12 ZINC000653816492 JK Annotated Mild COc1cccc([C@@]2(O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3CC[C@@H]2CN(C)C)c1 ZINC000653817005 JK Annotated Anodyne O=C(Nc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1)c1cscn1 ZINC000653817018 JK Annotated Anodyne CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccccc4[N+](=O)[O-])cc3)oc12 ZINC000653818600 JK Annotated Bother O=C(O)c1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)o1 ZINC000653819711 JK Annotated Clean Cc1ccc(-c2nc3ccccc3c(=O)n2C/C=C/c2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000653821014 JK Annotated Anodyne CN(C)C[C@H]1CCc2cc(-c3ccccc3OC(F)(F)F)ccc2[C@]1(O)c1cccc(O)c1 ZINC000653821020 JK Annotated Anodyne O=c1c2ccccc2nc(-c2ccc(F)cc2)n1C/C=C/c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000653821061 JK Annotated Anodyne O=C(NCc1ccc(F)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653821674 JK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccc4sc5ccccc5c4c3)nc3ccccn23)cc1 ZINC000653821690 JK Annotated Anodyne Cc1cc(CCC#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1Br ZINC000653821692 JK Annotated Mild C[C@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653822601 JK Annotated Mild C[C@@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653822602 JK Annotated Mild C[C@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000653822672 JK Annotated Mild C[C@@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000653822673 JK Annotated Mild CCCCCCCCCCOc1cc2c(=O)c(C(=O)NCc3ccccc3F)c[nH]c2cc1OCC ZINC000653822803 JK Annotated Mild CCCCCCCCCCOc1cc2c(=O)c(C(=O)NCc3ccco3)c[nH]c2cc1OCC ZINC000653822864 JK Annotated Mild N=C(NC1CCCCC1)c1ccc2nc(Nc3ccc(/C(N)=N/C4CCCCC4)cc3)[nH]c2c1 ZINC000653823155 JK Annotated Mild CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)cn(C(=O)N(C)C)c2cc1OCC ZINC000653823226 JK Annotated Mild Cc1cc(CCC#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)NC(C)C ZINC000653825271 JK Annotated Mild CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)cn(C(C)=O)c2cc1OCC ZINC000653826065 JK Annotated Mild CNC(=O)OCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(CCC#N)cc1C ZINC000653827911 JK Annotated Mild CO/N=C(\Cl)CCC/C=C(/c1ccc(C#N)cc1)c1cc(C)c(OC)c(C(=O)SC)c1 ZINC000653827931 JK Annotated Mild O=C1c2cc(I)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(F)cc1F ZINC000653827941 JK Annotated Bother CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)cn(C(=O)CC)c2cc1OCC ZINC000653829411 JK Annotated Mild CO/N=C(\Cl)c1cc(/C(=C\CCCc2nnc(C)o2)c2cccc(C#N)c2)cc(C)c1OC ZINC000653830093 JK Annotated Mild Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)S[C@H]2Cc2ccccc2)cc1Cl ZINC000653830245 JK Annotated Anodyne Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)S[C@@H]2Cc2ccccc2)cc1Cl ZINC000653830246 JK Annotated Anodyne CO/N=C(\Cl)c1cc(/C(=C\CCCN2CCOC2=O)c2ccc(C#N)cc2)cc(C)c1OC ZINC000653831289 JK Annotated Mild CO/N=C(\Cl)c1cc(/C(=C\CCCc2nnc(C)o2)c2ccc(C#N)cc2)cc(C)c1OC ZINC000653831309 JK Annotated Mild O=C(N[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3ccccc32)C1)c1ccc(Br)s1 ZINC000653831312 JK Annotated Anodyne CO/N=C(\Cl)c1cc(/C(=C\CCCc2nc(C)no2)c2ccc(C#N)cc2)cc(C)c1OC ZINC000653831355 JK Annotated Mild CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)/C=C/c4ccc(O)cc4)cc3)oc12 ZINC000653831360 JK Annotated Anodyne O=C1c2cc(F)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F ZINC000653831387 JK Annotated Bother CO/N=C(\Cl)CCC/C=C(/c1cccc(C#N)c1)c1cc(C)c(OC)c(C(=O)SC)c1 ZINC000653833229 JK Annotated Mild O=C1c2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Br)cc1F ZINC000653833271 JK Annotated Bother O=C1c2cc(Br)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Cl)cc1F ZINC000653833273 JK Annotated Bother O=C1c2ccccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F ZINC000653833341 JK Annotated Bother CO/N=C(\Cl)c1cc(/C(=C\CCCc2nc(C)no2)c2cccc(C#N)c2)cc(C)c1OC ZINC000653833442 JK Annotated Mild CNC(=O)c1ccc(N2C(=S)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C2(C)C)cc1 ZINC000653835478 JK Annotated Anodyne N#Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 ZINC000653836208 JK Annotated Mild CC(C)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 ZINC000653836215 JK Annotated Clean COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 ZINC000653836245 JK Annotated Clean CC(C)(C)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 ZINC000653836254 JK Annotated Clean CC(C)OC(=O)c1c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)sc2c1CCCC2 ZINC000653837809 JK Annotated Anodyne O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)o1 ZINC000653838817 JK Annotated Clean O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@@H]1CC=C[C@H]31 ZINC000653840613 JK Annotated Reactive O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@H]1CC=C[C@@H]31 ZINC000653840614 JK Annotated Reactive O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@@H]1CC=C[C@@H]31 ZINC000653840615 JK Annotated Reactive O=C(O)[C@@H]1[C@@H]2C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]2c2cccc3c2N1C[C@H]1CC=C[C@H]31 ZINC000653840616 JK Annotated Reactive COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)s3)on2)c1 ZINC000653840666 JK Annotated Anodyne COc1ccc(C)c(N(C(=O)c2cccc(C(F)(F)F)c2)c2cn(C(C)=O)c3ccccc23)c1 ZINC000653840667 JK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 ZINC000653840733 JK Annotated Clean CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)\C=C\[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C ZINC000653841616 JK Annotated Anodyne CCN(CC)c1ccc2c(CONC(=O)CCCCCCC(=O)Nc3ccccc3)cc(=O)oc2c1 ZINC000653841624 JK Annotated Anodyne CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)\C=C\c2ccccc2/C=C(C)/C=C/[C@H]1C ZINC000653841688 JK Annotated Anodyne Cc1ccc(C)c(OC(=O)N2CCC(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653842096 JK Annotated Anodyne Cc1ccc(C)c(OC(=O)N2CCC(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653842097 JK Annotated Anodyne Cc1cc(C)cc(OC(=O)N2CCC(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653842105 JK Annotated Anodyne Cc1cc(C)cc(OC(=O)N2CCC(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653842106 JK Annotated Anodyne Cc1cccc(C)c1OC(=O)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653842114 JK Annotated Anodyne Cc1cccc(C)c1OC(=O)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653842115 JK Annotated Anodyne CCCCCCCCCCn1cc(Cn2c(CC)nc3nc(C(F)(F)F)ccc3c2=O)nn1 ZINC000653842165 JK Annotated Mild O[C@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653843475 JK Annotated Clean O[C@@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653843476 JK Annotated Clean COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21 ZINC000653844210 JK Annotated Mild CC(C)c1ccc2c(c1)/C(=N\O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)O ZINC000653844245 JK Annotated Mild COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21 ZINC000653844287 JK Annotated Anodyne CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)O ZINC000653844296 JK Annotated Anodyne Cc1c2nc3ccccc3c-2ccn1CCCCCCCCn1ccc2c3ccccc3nc-2c1C ZINC000653845072 JK Annotated Anodyne CCCCCCCCn1cc(COc2nc(-c3ccccc3)nc3nc(C(F)(F)F)ccc23)nn1 ZINC000653845078 JK Annotated Mild Cc1c2nc3ccccc3c-2ccn1Cc1ccc(Cn2ccc3c4ccccc4nc-3c2C)cc1 ZINC000653845085 JK Annotated Anodyne O=C(Oc1ccc(Cl)cc1)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653845122 JK Annotated Anodyne O=C(Oc1ccc(Cl)cc1)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653845123 JK Annotated Anodyne Cc1c(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000653845124 JK Annotated Clean Cc1c(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000653845125 JK Annotated Clean COc1ccc2c3ccn(CCCCCn4ccc5c6ccc(OC)cc6nc-5c4C)c(C)c-3nc2c1 ZINC000653845149 JK Annotated Anodyne COc1ccc([C@@H]2COc3c(cc(/C=C/C(=O)c4ccc[nH]4)c4c3C=CC(C)(C)O4)C2)c(OC)c1 ZINC000653845401 JK Annotated Mild Oc1c(Br)cc(Br)cc1-c1cncn1CCNc1cccc2ccccc12 ZINC000653845411 JK Annotated Anodyne Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1ccc(Cl)cc1 ZINC000653845476 JK Annotated Anodyne C=CCc1cc(NC(=O)CCCCCCCCCCC)c(O)c(-c2ccc(OC)c(CC=C)c2)c1 ZINC000653846229 JK Annotated Mild Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1cccc(Cl)c1 ZINC000653846660 JK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653847550 JK Annotated Anodyne O[C@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653847551 JK Annotated Anodyne O=C(Oc1ccccc1)N1CCC(c2nc(C3=NO[C@]4(CCCc5ccccc54)C3)cs2)CC1 ZINC000653848322 JK Annotated Anodyne O=C(Oc1ccccc1)N1CCC(c2nc(C3=NO[C@@]4(CCCc5ccccc54)C3)cs2)CC1 ZINC000653848323 JK Annotated Anodyne COc1ccc(OC(=O)N2CCC(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)cc1 ZINC000653848341 JK Annotated Anodyne COc1ccc(OC(=O)N2CCC(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)cc1 ZINC000653848342 JK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1cccc(Cl)c1 ZINC000653849059 JK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1ccccc1)N2c1cccc(Cl)c1 ZINC000653849095 JK Annotated Anodyne CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCc3cccc4ccccc34)cc21 ZINC000653849274 JK Annotated Mild C(=N/Nc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2C1CCCCC1)\c1ccccc1 ZINC000653849867 JK Annotated Mild Sc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(-c4cccc(Cl)c4)c3ncn12 ZINC000653849901 JK Annotated Anodyne Sc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(Cl)cc4)c3ncn12 ZINC000653849908 JK Annotated Anodyne COc1ccc([C@@H]2COc3c(cc(/C=C/C(=O)c4ccccc4)c4c3C=CC(C)(C)O4)C2)c(OC)c1 ZINC000653850166 JK Annotated Mild Cc1cc(C)n(-c2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2cccc(Cl)c2)n1 ZINC000653850170 JK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1ccccc1)N2c1ccc(Cl)cc1 ZINC000653850182 JK Annotated Anodyne Cc1cc(C)n(-c2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccc(Cl)cc2)n1 ZINC000653850203 JK Annotated Anodyne CCOc1ccc(Br)cc1/C=C1\Oc2cccc(OCc3ccccc3)c2C1=O ZINC000653850855 JK Annotated Mild Brc1ccc(Oc2ccc(-c3cncn3CCNc3cccc4ccccc34)cc2)cc1 ZINC000653850962 JK Annotated Anodyne COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccccc1 ZINC000653850979 JK Annotated Mild COc1ccc([C@@H]2COc3c(cc(/C=C/C(=O)c4ccco4)c4c3C=CC(C)(C)O4)C2)c(OC)c1 ZINC000653850994 JK Annotated Mild O=c1c2ccc(C(F)(F)F)nc2nc(-c2ccccc2)n1Cc1cc(-c2cccc3ccccc23)no1 ZINC000653851612 JK Annotated Anodyne COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccco1 ZINC000653851948 JK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccc[nH]1 ZINC000653851980 JK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCc3cccc4ccccc34)cc21 ZINC000653852005 JK Annotated Anodyne Cc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c(C)n1 ZINC000653852891 JK Annotated Anodyne Cc1cnc(C)c(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653852900 JK Annotated Anodyne CCC(CC)(CN(Cc1ccc(Cl)c(Cl)c1)C(C)C)[C@H](O)c1ccc2ccccc2c1 ZINC000653854035 JK Annotated Anodyne CCC(CC)(CN(Cc1ccc(Cl)c(Cl)c1)C(C)C)[C@@H](O)c1ccc2ccccc2c1 ZINC000653854036 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653856975 JK Annotated Bother O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653856976 JK Annotated Bother O[C@H](CN1C[C@](Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653856993 JK Annotated Anodyne O[C@H](CN1C[C@@](Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653856994 JK Annotated Anodyne Fc1ccc(-c2cn([C@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653857000 JK Annotated Anodyne Fc1ccc(-c2cn([C@@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653857001 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000653857040 JK Annotated Bother Cc1ccc(-c2cn([C@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653857066 JK Annotated Anodyne Cc1ccc(-c2cn([C@@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653857067 JK Annotated Anodyne COc1ccc(CCN(CCCc2ccccc2Cl)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857944 JK Annotated Anodyne COc1ccc(CCN(CCCc2ccccc2F)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857984 JK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5ccccc5F)cc4C3)c2)nc2ccccc21 ZINC000653858678 JK Annotated Anodyne C[C@H]1CCCCN1C(=O)c1cc2c(s1)CCN(c1cccc(-c3nc4ccccc4n3C)c1)C2 ZINC000653858781 JK Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCN(c1cccc(-c3nc4ccccc4n3C)c1)C2 ZINC000653858782 JK Annotated Anodyne CCOC(=O)c1oc2ccc(N(CC3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1C ZINC000653859568 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653859602 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653859603 JK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](ON2C(C)(C)CCCC2(C)C)[C@H]1c1ccccc1 ZINC000653859677 JK Annotated Anodyne O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000653859681 JK Annotated Anodyne Oc1ccc(-c2[nH]nc(NCc3ccc(O)c(Br)c3)c2-c2ccc(O)cc2)cc1 ZINC000653859720 JK Annotated Anodyne O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1Cc1cccs1 ZINC000653861033 JK Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1Cc1cccs1 ZINC000653861034 JK Annotated Mild CCOc1ncc(Nc2cc(NCCC3CCOCC3)nc3cc(OC)c(OC)cc23)cc1F ZINC000653861058 JK Annotated Anodyne Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)ccc2Cl)nc2ccccc21 ZINC000653861071 JK Annotated Anodyne Oc1c(Br)cc(I)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000653861616 JK Annotated Bother O=C(Cn1cc(CCc2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1 ZINC000653861728 JK Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4[C@H](C[C@@H]2N1)C[C@@H](C)C[C@@H]4N(C)C3 ZINC000653861849 JK Annotated Anodyne CCCCCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1 ZINC000653861873 JK Annotated Anodyne CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)/C=C/[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C ZINC000653862687 JK Annotated Anodyne CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)CC/C=C(C)\C=C\[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C ZINC000653862700 JK Annotated Anodyne COc1cc(-c2ncn(C)c2-c2ccc3c(c2)c(Cl)c(Cl)n3C)cc(Br)c1OC ZINC000653862916 JK Annotated Anodyne N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl)c1ccccn1 ZINC000653863956 JK Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl)c1ccccn1 ZINC000653863957 JK Annotated Anodyne CCCCc1nc(/C=N/N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c(Cl)[nH]1 ZINC000653864032 JK Annotated Mild CCCCCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O ZINC000653864067 JK Annotated Mild CCCCCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O ZINC000653864068 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@H](C(=O)OCc1ccccc1)c1ccccc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653864122 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@@H](C(=O)OCc1ccccc1)c1ccccc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653864123 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@@H](C(=O)OCC)c1ccc(C(F)(F)F)cc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653864126 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@H](C(=O)OCC)c1ccc(C(F)(F)F)cc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653864127 JK Annotated Mild Cc1ccc(-c2cn([C@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653866691 JK Annotated Anodyne Cc1ccc(-c2cn([C@@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653866692 JK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H](C(=O)OCC)c1ccc(C(F)(F)F)cc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866694 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@@H](C(=O)OCC)c1ccc(C(F)(F)F)cc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866695 JK Annotated Mild CC(C)(C)c1ccc(-c2cn([C@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653866704 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653866705 JK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@@H](C(=O)OCc1ccccc1)c1ccccc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866724 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H](C(=O)OCc1ccccc1)c1ccccc1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866725 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@@H](C(=O)OCC)c1ccccc1C(F)(F)F)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866729 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H](C(=O)OCC)c1ccccc1C(F)(F)F)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653866730 JK Annotated Mild CC(=O)OC[C@@H]1CN(Cc2ccccc2)C[C@@H](ON2C(C)(C)CCCC2(C)C)[C@H]1c1ccccc1 ZINC000653867734 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(I)cc1)Oc1ccc(F)cc1-2 ZINC000653869269 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(I)cc1)Oc1ccc(F)cc1-2 ZINC000653869270 JK Annotated Anodyne O=c1c(-c2c(F)cccc2Cl)coc2c1c(O)cc1occ(-c3c(F)cccc3Cl)c(=O)c12 ZINC000653870696 JK Annotated Bother O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1CCc1ccccn1 ZINC000653870751 JK Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1CCc1ccccn1 ZINC000653870752 JK Annotated Mild C=CCc1cc(Br)c2nc3cc(Br)c(Br)cc3nc2c1O ZINC000653872992 JK Annotated Mild COc1ccc(CCN(CCCc2ccc(Cl)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873342 JK Annotated Anodyne COc1ccc(CCN(CCCc2cccc(F)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873357 JK Annotated Anodyne COc1ccc(CCN(CCCc2cccc(Cl)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873487 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Br)cc1)Oc1ccc(F)cc1-2 ZINC000653873511 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Br)cc1)Oc1ccc(F)cc1-2 ZINC000653873515 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Br)cc1)Oc1ccc(Cl)cc1-2 ZINC000653875529 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Br)cc1)Oc1ccc(Cl)cc1-2 ZINC000653875530 JK Annotated Anodyne ClC(Cl)(Cl)c1nc(OCc2cccc(OCc3ccccc3)c2)c2ccccc2n1 ZINC000653878521 JK Annotated Anodyne CCOC(=O)c1oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000653878752 JK Annotated Bother Cc1ccc(-c2cn([C@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653878850 JK Annotated Anodyne Cc1ccc(-c2cn([C@@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653878852 JK Annotated Anodyne O=C1C(=Cc2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)C(=O)c2ccccc21 ZINC000653880657 JK Annotated Mild CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1cc2cccc(OC)c2nc1Cl)CCCC3 ZINC000653882108 JK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000653882261 JK Annotated Anodyne CN(C(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1)[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C ZINC000653882320 JK Annotated Anodyne O=c1c(-c2c(F)cccc2Cl)coc2cc3occ(-c4c(F)cccc4Cl)c(=O)c3c(O)c12 ZINC000653882323 JK Annotated Bother CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NCc1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000653882386 JK Annotated Anodyne Cc1ccc([C@H]2[C@H](CO)CN(Cc3ccccc3)C[C@H]2ON2C(C)(C)CCCC2(C)C)cc1 ZINC000653883195 JK Annotated Anodyne CCOC(=O)c1oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2c1C ZINC000653884601 JK Annotated Anodyne FC(F)C(F)(F)Oc1cccc(-c2c[n+](Cc3cccc(OC(F)(F)F)c3)c3ccccc3n2)c1 ZINC000653884674 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000653886894 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000653886895 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000653886896 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000653886897 JK Annotated Mild Fc1ccc(-c2cn([C@@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653886915 JK Annotated Anodyne Fc1ccc(-c2cn([C@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653886916 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653886925 JK Annotated Bother O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653886926 JK Annotated Bother COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CC/C=C(\C)[C@H](O)C[C@@H]1OC1(C)C ZINC000653886959 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CC/C=C(\C)[C@@H](O)C[C@@H]1OC1(C)C ZINC000653886961 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CC/C=C(\C)[C@@H](O)C[C@H]1OC1(C)C ZINC000653886964 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CC/C=C(\C)[C@H](O)C[C@H]1OC1(C)C ZINC000653886965 JK Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(-c2ccccc2)cc1 ZINC000653887103 JK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)C[C@@H](O)C(C)(C)O ZINC000653887156 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)C[C@H](O)C(C)(C)O ZINC000653887157 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)C[C@H](O)C(C)(C)O ZINC000653887158 JK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)C[C@@H](O)C(C)(C)O ZINC000653887159 JK Annotated Mild C=CCCC#CC#CCCCCCCC[C@@H](CNC(=O)c1ccccc1)OC(=O)c1ccccc1 ZINC000653887486 JK Annotated Mild COc1cc2nc(NCCC3CCOCC3)nc(Nc3ncc(C(C)C)s3)c2cc1OC ZINC000653887545 JK Annotated Anodyne O=[N+]([O-])c1cccc([C@H]2C3=C(N=C4SC=C(c5ccc(Cl)cc5)N42)c2ccccc2SC3)c1 ZINC000653887804 JK Annotated Bother O=[N+]([O-])c1cccc([C@@H]2C3=C(N=C4SC=C(c5ccc(Cl)cc5)N42)c2ccccc2SC3)c1 ZINC000653887805 JK Annotated Bother O=c1oc2ccccc2cc1C1=CSC2=NC3=C(CSc4ccccc43)[C@@H](c3ccccc3)N12 ZINC000653887831 JK Annotated Anodyne O=c1oc2ccccc2cc1C1=CSC2=NC3=C(CSc4ccccc43)[C@H](c3ccccc3)N12 ZINC000653887832 JK Annotated Anodyne Fc1ccc(-c2cn([C@@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653887977 JK Annotated Anodyne Fc1ccc(-c2cn([C@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653887982 JK Annotated Anodyne COc1ccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)Oc4nc5c(c(N)c43)CCC5)c(Cl)nc2c1 ZINC000653887991 JK Annotated Mild COc1ccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)Oc4nc5c(c(N)c43)CCC5)c(Cl)nc2c1 ZINC000653887995 JK Annotated Mild Cc1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888037 JK Annotated Anodyne Cc1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888038 JK Annotated Anodyne c1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888042 JK Annotated Anodyne c1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888043 JK Annotated Anodyne Cc1ccc([C@@H]2C3=C(N=C4SC=C(c5cc6ccccc6oc5=O)N42)c2ccccc2SC3)cc1 ZINC000653888052 JK Annotated Anodyne Cc1ccc([C@H]2C3=C(N=C4SC=C(c5cc6ccccc6oc5=O)N42)c2ccccc2SC3)cc1 ZINC000653888053 JK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21 ZINC000653888092 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(I)cc1)Oc1ccccc1-2 ZINC000653890242 JK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(I)cc1)Oc1ccccc1-2 ZINC000653890246 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653894827 JK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653894828 JK Annotated Anodyne Oc1c(Cl)cc(Br)c2nc3cc(Br)c(Br)cc3nc12 ZINC000653895031 JK Annotated Bother FC(F)(F)Oc1ccc(CNCCCCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 ZINC000653895456 JK Annotated Anodyne CCOC(=O)CC(=O)Nc1cc(Cl)c(Oc2ccc(O)cc2Br)c(Cl)c1 ZINC000653895728 JK Annotated Anodyne Brc1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@H](c4ccccc4)N23)cc1 ZINC000653895736 JK Annotated Anodyne Brc1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@@H](c4ccccc4)N23)cc1 ZINC000653895737 JK Annotated Anodyne O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000653895743 JK Annotated Bother O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000653895744 JK Annotated Bother O=c1c(-c2ccccc2Cl)coc2c1c(O)cc1occ(-c3ccccc3Cl)c(=O)c12 ZINC000653895760 JK Annotated Bother CNc1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000653899195 JK Annotated Reactive Cc1ccc(C(=O)Nc2ccc(-n3ccc(=O)c4c(=O)n(Cc5ccc(Cl)cc5)ccc43)cc2)o1 ZINC000653899295 JK Annotated Anodyne O=C(/C=C/C1=NN[C@H](c2ccccc2)C1)c1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1 ZINC000653905758 JK Annotated Mild O=C(/C=C/C1=NN[C@@H](c2ccccc2)C1)c1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1 ZINC000653905759 JK Annotated Mild CN(C)C12C[C@@H](NC(=O)CCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000653907597 JK Annotated Anodyne CN(C)C12C[C@H](NC(=O)CCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000653907602 JK Annotated Anodyne CN(C)C12C[C@H](NC(=O)CCN3CCCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000653907603 JK Annotated Anodyne CN(C)[C@]12C[C@H](NC(=O)CCN3CCCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000653907604 JK Annotated Anodyne CC(C)(C)OC(=O)NCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000653907646 JK Annotated Mild CC(C)(C)OC(=O)NCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000653907647 JK Annotated Mild CCN1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4[C@H](C[C@@H]2N1)C[C@@H](C)C[C@@H]4N(C)C3 ZINC000653912868 JK Annotated Anodyne Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)oc1Cl ZINC000653912900 JK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@@H](C(=O)OCC)c1ccccc1C(F)(F)F)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653913867 JK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O[C@H](C(=O)OCC)c1ccccc1C(F)(F)F)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653913868 JK Annotated Mild CN(C)CCOc1ncc(Nc2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)cc1F ZINC000653915616 JK Annotated Anodyne CN(C)CCOc1ncc(Nc2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)[nH]c23)cc1F ZINC000653915631 JK Annotated Anodyne CC1(C)CCCC(C)(C)N1O[C@@H]1CN(Cc2ccccc2)C[C@@H](CO)[C@@H]1c1ccc(F)cc1 ZINC000653916379 JK Annotated Anodyne Cc1cc(O)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1 ZINC000653917154 JK Annotated Anodyne Cc1cc(CO)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1 ZINC000653917198 JK Annotated Anodyne Cc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1 ZINC000653917205 JK Annotated Anodyne CC[C@H](C)[C@@H]1CN([C@@H](CNC)Cc2ccccc2)CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000653918487 JK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](CNC)Cc2ccccc2)CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000653918488 JK Annotated Anodyne CCc1cccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000653918575 JK Annotated Anodyne COc1cccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000653918581 JK Annotated Anodyne CN(C(=O)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)c1ccccc1 ZINC000653918591 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918604 JK Annotated Anodyne COc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)cc1 ZINC000653918605 JK Annotated Anodyne O=C(Nc1ccccn1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918609 JK Annotated Anodyne O=C(NN1C(c2ccccc2)=C(c2ccccc2)O[C@]12C(=O)Nc1ccccc12)c1ccc(Cl)cc1 ZINC000653918622 JK Annotated Anodyne O=C(NN1C(c2ccccc2)=C(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12)c1ccc(Cl)cc1 ZINC000653918623 JK Annotated Anodyne COc1ccc(C(=O)NN2C(c3ccccc3)=C(c3ccccc3)O[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000653918624 JK Annotated Anodyne COc1ccc(C(=O)NN2C(c3ccccc3)=C(c3ccccc3)O[C@]23C(=O)Nc2ccccc23)cc1 ZINC000653918625 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918637 JK Annotated Anodyne O=C(NC1CCCCC1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918642 JK Annotated Anodyne O=C(Nc1cccnc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918644 JK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918653 JK Annotated Anodyne O=C(Nc1cccc(F)c1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918659 JK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)cc1 ZINC000653918668 JK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)cc1 ZINC000653918669 JK Annotated Anodyne CCn1c(C)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653919270 JK Annotated Anodyne CCCn1c(C)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653919280 JK Annotated Anodyne CN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C ZINC000653919291 JK Annotated Anodyne Cc1cc(OCCc2cc(Cl)ccc2-n2cncn2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066065984 JK Annotated Anodyne COC(=O)COc1ccc(Cl)cc1CCOc1cc(C)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066065985 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN/C=C1\C(=O)CC[C@]2(C)C1=C(O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000066066021 JK Annotated Mild COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066066230 JK Annotated Anodyne in-vitro COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066066231 JK Annotated Anodyne O=C(/C=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1c(Cl)ccc(Cl)c1Cl ZINC000066066397 JK Annotated Mild C[C@@H]1CCCCCCCc2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2C(=O)O1 ZINC000066066663 JK Annotated Anodyne CC(C)[C@@H]1N=C(C2CCCCC2)c2cc([N+](=O)[O-])ccc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000066073603 JK Annotated Bother FC(F)(F)c1ccc([C@@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 ZINC000066073996 JK Annotated Anodyne FC(F)(F)c1ccc([C@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 ZINC000066073997 JK Annotated Anodyne Brc1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(Cc4ccccc4)n2N3)cc1 ZINC000066074264 JK Annotated Anodyne CCO/C=N/C1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc(N(CC)CC)cc2O1 ZINC000066074265 JK Annotated Reactive CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc(N(CC)CC)cc2O1 ZINC000066074266 JK Annotated Reactive CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC1(C)C ZINC000066074484 JK Annotated Anodyne CCCn1ccc2cc(-c3ccc(OCc4ccc(C(F)(F)F)nc4)cc3)cc(Cl)c2c1=O ZINC000066074572 JK Annotated Anodyne O=C(/C=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Cl)cc(Cl)c1Cl ZINC000066074669 JK Annotated Mild CN(C)c1ccc2c(c1)Oc1c(ccc3cc(O)ccc13)[C@]21OC(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000066074891 JK Annotated Anodyne CN(C)c1ccc2c(c1)Oc1c(ccc3cc(O)ccc13)[C@@]21OC(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000066074893 JK Annotated Anodyne OCCc1c(Nn2nnc3ccccc32)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066075124 JK Annotated Anodyne COc1ccc(-c2nnc(Cn3c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000066075330 JK Annotated Anodyne OCCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066075419 JK Annotated Anodyne OCCc1c(OCc2c(Cl)cccc2Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066075421 JK Annotated Anodyne Brc1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(-c4ccccc4)n2N3)cc1 ZINC000066075667 JK Annotated Anodyne CC(C)CNC(=N)c1ccc(-c2sc(-c3ccc(C(=N)NCC(C)C)cc3)c3c2OCCO3)cc1 ZINC000066075671 JK Annotated Anodyne CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1 ZINC000066075967 JK Annotated Anodyne C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccccc1 ZINC000066076519 JK Annotated Anodyne C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccccc1 ZINC000066076521 JK Annotated Anodyne C=C1C(CCC(C)C)=C(O[C@@]2(CCC(C)C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000066076529 JK Annotated Mild C=C1C(CCC(C)C)=C(O[C@]2(CCC(C)C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000066076531 JK Annotated Mild C=C1C2=C(CCCC2)C(=O)C(O[C@@]2(CCC(C)C)C(=O)C(=O)C3=C(CCCC3)C2=O)=C1CCC(C)C ZINC000066076650 JK Annotated Mild C=C1C2=C(CCCC2)C(=O)C(O[C@]2(CCC(C)C)C(=O)C(=O)C3=C(CCCC3)C2=O)=C1CCC(C)C ZINC000066076652 JK Annotated Mild C=C(CC/C=C(/C)C(=O)O)C1=CC[C@@]2(C)[C@@H]3[C@H]4C[C@H](C(=C)C)[C@@]5(CCC(=O)O4)C[C@@]35CC[C@]12C ZINC000066076712 JK Annotated Mild CC(C)NC(=N)c1ccc(-c2sc(-c3ccc(C(=N)NC(C)C)cc3)c3c2OCCO3)cc1 ZINC000066076771 JK Annotated Anodyne c1ccc(Sc2nc(Sc3ccccc3)c3ncn([C@@H]4CNc5ccccc5CO4)c3n2)cc1 ZINC000066077064 JK Annotated Anodyne c1ccc(Sc2nc(Sc3ccccc3)c3ncn([C@H]4CNc5ccccc5CO4)c3n2)cc1 ZINC000066077067 JK Annotated Anodyne Brc1ccccc1CN[C@H]1CCCC[C@H]1NCc1ccccc1Br ZINC000066078079 JK Annotated Anodyne Brc1ccccc1CN[C@H]1CCCC[C@@H]1NCc1ccccc1Br ZINC000066078081 JK Annotated Anodyne Brc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1Br ZINC000066078083 JK Annotated Anodyne Cc1cc(C#N)cc2nc(-c3ccc(OCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066078200 JK Annotated Mild CCCc1nc2ccc(-c3nc4ccc(-c5nc6ccc(Br)cc6[nH]5)cc4[nH]3)cc2[nH]1 ZINC000066078832 JK Annotated Anodyne COC(C)(C)CCC[C@@H](O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000066078917 JK Annotated Anodyne CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21 ZINC000066079114 JK Annotated Anodyne CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c(=O)c2cc(-c3ccco3)ccc21 ZINC000066079115 JK Annotated Anodyne CO[C@@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066079280 JK Annotated Anodyne in-vitro CO[C@@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066079281 JK Annotated Anodyne O=[N+]([O-])c1cn(C[C@H](OCc2ccc(Cl)cc2)c2ccc(F)cc2F)c(Br)n1 ZINC000066079351 JK Annotated Bother O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(Cl)cc2)c2ccc(F)cc2F)c(Br)n1 ZINC000066079353 JK Annotated Bother CCC[C@](O)(C(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1)c1cnc2ccccc2c1 ZINC000066079435 JK Annotated Anodyne CCC[C@@](O)(C(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1)c1cnc2ccccc2c1 ZINC000066079437 JK Annotated Anodyne CO[C@H](CCCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000066079631 JK Annotated Anodyne C[C@H](O)[C@]12CC[C@](C)(O1)[C@H]1CC[C@]3(C)[C@@H]1[C@@H](C[C@@H]1[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]13C)O2 ZINC000066079633 JK Annotated Anodyne CCOC(=O)c1c(N)oc2c1c(Sc1ccc(Br)cc1)c(O)c1ncccc12 ZINC000066079732 JK Annotated Anodyne CSc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000066079956 JK Annotated Bother CSc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000066079958 JK Annotated Bother COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066079989 JK Annotated Anodyne in-vitro COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066079993 JK Annotated Anodyne COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066079996 JK Annotated Anodyne in-vitro COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066080000 JK Annotated Anodyne O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 ZINC000066097370 JK Annotated Anodyne C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(C#N)cc1 ZINC000066097593 JK Annotated Mild CSc1nc([N+](=O)[O-])cn1C[C@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC000066097978 JK Annotated Bother CSc1nc([N+](=O)[O-])cn1C[C@@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC000066097981 JK Annotated Bother O=C1c2ccccc2C(=O)N1[C@@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 ZINC000066098185 JK Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 ZINC000066098186 JK Annotated Anodyne FC(F)(F)c1cccc(-n2cc(C3=NO[C@H](Cn4ccc5ccccc54)C3)c3ccccc32)c1 ZINC000066098190 JK Annotated Anodyne FC(F)(F)c1cccc(-n2cc(C3=NO[C@@H](Cn4ccc5ccccc54)C3)c3ccccc32)c1 ZINC000066098193 JK Annotated Anodyne O=C(Sc1ccc(OC(F)(F)F)cc1)c1c[nH]c2cccc(SCc3ccncc3)c12 ZINC000066098512 JK Annotated Anodyne CNc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cc(C)cc32)cc1 ZINC000066098629 JK Annotated Anodyne COc1nc([N+](=O)[O-])cn1C[C@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC000066098948 JK Annotated Bother COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC000066098950 JK Annotated Bother O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1F ZINC000066099414 JK Annotated Clean O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1O ZINC000066099415 JK Annotated Clean O=C(OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000066099513 JK Annotated Bother Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2CC(=O)OC(C)(C)C)c1 ZINC000066099564 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2O1 ZINC000066099687 JK Annotated Anodyne O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1O ZINC000066099736 JK Annotated Clean CC(C)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C(F)(F)F)cc1 ZINC000066099930 JK Annotated Anodyne CC(C)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(C(F)(F)F)cc1 ZINC000066099932 JK Annotated Anodyne O=C(O)Cn1cnc2c(Oc3ccc(F)cc3)nc(NCc3ccc(C4CCCCC4)cc3)nc21 ZINC000066100040 JK Annotated Anodyne COc1cc(-n2cc(COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn2)cc(OC)c1OC ZINC000066100047 JK Annotated Anodyne S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccc(I)cc1 ZINC000066100263 JK Annotated Anodyne S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccccc1I ZINC000066100266 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)[nH]2)ccc1F ZINC000066100423 JK Annotated Clean O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)[nH]2)c1F ZINC000066100427 JK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000066100543 JK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000066100545 JK Annotated Clean CCC[C@@H](c1ccc(F)cc1)N1CCCn2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc21 ZINC000066100845 JK Annotated Anodyne CCC[C@H](c1ccc(F)cc1)N1CCCn2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc21 ZINC000066100847 JK Annotated Anodyne COc1c(O)cc2c(c1C(=O)O)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000066100958 JK Annotated Mild O=C(/C=C/c1cccc(F)c1)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O ZINC000066101054 JK Annotated Anodyne COc1cccc(/C=C/C(=O)OCCc2c(-c3ccccc3Cl)c3cc(Cl)ccc3[nH]c2=O)c1 ZINC000066101057 JK Annotated Anodyne COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C3(C(=O)O)CCCC3)c2)n1 ZINC000066101190 JK Annotated Anodyne Cc1ccc(-c2nnc(Nc3ccc(Oc4ncccc4-c4c[nH]nc4N)cc3)c3ccccc23)cc1 ZINC000066101262 JK Annotated Anodyne COc1cc(-c2noc3c2CCCN3[C@@H](C)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000066101298 JK Annotated Anodyne CC(C)Cc1sc(N)nc1-c1ccc([P@@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)o1 ZINC000066101942 JK Annotated Anodyne CC(C)Cc1sc(N)nc1-c1ccc([P@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)o1 ZINC000066101945 JK Annotated Anodyne NCc1cc(C(F)(F)F)ccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000066102055 JK Annotated Anodyne NCc1cc(C(F)(F)F)ccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066102057 JK Annotated Anodyne C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)CC[C@@H]1OC(=O)c1ccccc1 ZINC000066102180 JK Annotated Mild COC(C)(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000066102194 JK Annotated Anodyne CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066102201 JK Annotated Anodyne in-vitro CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066102203 JK Annotated Anodyne Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2Cc2c(C)noc2C)c1 ZINC000066102351 JK Annotated Anodyne COC1(c2cccc(CS(=O)(=O)Nc3cc(C)ccc3OCc3ccccc3)c2)CCOCC1 ZINC000066102936 JK Annotated Anodyne COc1cc(-c2nnc3n2CCCN3Cc2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)c1 ZINC000066103408 JK Annotated Anodyne CCC(CC)(NC(=O)c1c(SC)nn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(C)cc1 ZINC000066103598 JK Annotated Anodyne CCC(CC)(NC(=O)c1c(SC)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C)cc1 ZINC000066103600 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cc(OC)ccc3OC)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066103632 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3cc(OC)ccc3OC)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066103635 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3c(F)c(F)cc(F)c3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066103643 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3c(F)c(F)cc(F)c3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066103645 JK Annotated Anodyne CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(Cl)c(OC)c1 ZINC000066103654 JK Annotated Anodyne CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(OC)c(Cl)c1 ZINC000066103658 JK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(F)cc2)n2c1Cc1ccccc1C2 ZINC000066103952 JK Annotated Anodyne Cc1noc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)c1C ZINC000066103980 JK Annotated Anodyne O=C(Nc1noc2ccccc12)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 ZINC000066103981 JK Annotated Anodyne O=C1/C(=C/c2ccc(-c3cccc(-c4nnn[nH]4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066104043 JK Annotated Clean CCOC(=O)C(C)(C)c1ccc2c(c1)c([C@H](C)CO)c(-c1cc(C)cc(C)c1)n2C(=O)OC(C)(C)C ZINC000066104142 JK Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1c1nnc(S)n1-c1ccc(Cl)cc1 ZINC000066104403 JK Annotated Anodyne COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(C(F)(F)F)cc3F)c2cc1OC ZINC000066104533 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H](Cn2cccc(C(F)(F)F)c2=O)NC2Cc3ccccc3C2)cc1 ZINC000066104603 JK Annotated Anodyne CC(C)(C)c1ccc([C@H](Cn2cccc(C(F)(F)F)c2=O)NC2Cc3ccccc3C2)cc1 ZINC000066104605 JK Annotated Anodyne C(#Cc1ccccc1C#CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 ZINC000066104788 JK Annotated Mild COC1(c2cccc(CN(c3cc(C)ccc3OCc3ccccc3)S(C)(=O)=O)c2)CCOCC1 ZINC000066105003 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)OC(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000066111510 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)OC(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000066111511 JK Annotated Anodyne CC/C=C/C[C@]1(C(=O)OC)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066111603 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111615 JK Annotated Bother CC[C@]1(c2ccc(CSc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111616 JK Annotated Bother CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066111874 JK Annotated Anodyne CC(C)(CO)CO[C@]1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066111919 JK Annotated Bother CC(C)(CO)CO[C@@]1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066111920 JK Annotated Bother CCN(Cc1cc(-c2cnc3ccccc3c2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1 ZINC000066111975 JK Annotated Anodyne O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)nc3)c2)CC1 ZINC000066112116 JK Annotated Anodyne COc1cc(-c2noc3c2CCCN3[C@@H](C)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000066112117 JK Annotated Anodyne CC[C@@H](c1cc(F)c(F)c(F)c1)N1CCCc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)n[nH]c21 ZINC000066112118 JK Annotated Anodyne CC[C@H](c1cc(F)c(F)c(F)c1)N1CCCc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)n[nH]c21 ZINC000066112119 JK Annotated Anodyne Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\C2=NCN=C2c2ccccc2)cc1 ZINC000066112120 JK Annotated Clean CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)[C@H]2C(=O)C[C@@H](c3ccco3)CC2=N1 ZINC000066112164 JK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)[C@H]2C(=O)C[C@@H](c3ccco3)CC2=N1 ZINC000066112165 JK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C(=O)C=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000066112275 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C(=O)C=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000066112276 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C(=O)C=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000066112277 JK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C(=O)C=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000066112278 JK Annotated Mild Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCC(=O)O ZINC000066112487 JK Annotated Anodyne Cc1cc(CN2Cc3ccccc3[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCC(=O)O ZINC000066112488 JK Annotated Anodyne COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(C(C)C)cc3)c2cc1OC ZINC000066112538 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cccc(Cl)c3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066112558 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(Cl)c3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066112559 JK Annotated Anodyne O=C1c2cccn2-c2ccccc2O[C@H]1c1ccc(CSc2cccc(C(F)(F)F)c2)cc1 ZINC000066112810 JK Annotated Anodyne O=C1c2cccn2-c2ccccc2O[C@@H]1c1ccc(CSc2cccc(C(F)(F)F)c2)cc1 ZINC000066112811 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccccc3Cl)cc2)Sc2ccccc2-n2cccc2C1=O ZINC000066112812 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccccc3Cl)cc2)Sc2ccccc2-n2cccc2C1=O ZINC000066112813 JK Annotated Anodyne CCCC[C@H](OC)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(OC)c(CC=C(C)C)c(OC)c12 ZINC000066113230 JK Annotated Anodyne CCCC[C@H](OC)c1cc(=O)oc2c(CC(=O)[C@@H](C)CC)c(OC)c(CC=C(C)C)c(OC)c12 ZINC000066113232 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000066113236 JK Annotated Anodyne in-vitro COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]23C)CC1=O ZINC000066113389 JK Annotated Clean COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CC(=O)c5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]23C)CC1=O ZINC000066113391 JK Annotated Clean COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CC(C)C)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000066113540 JK Annotated Mild CC[C@@]1(c2ccc(CSc3cccc(OC)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113615 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(OC)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113618 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cc(Cl)ccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113884 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3cc(Cl)ccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113886 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(Cl)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113888 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(Cl)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113890 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113893 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113895 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(F)cc3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113897 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(F)cc3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113899 JK Annotated Anodyne CCOC(=O)c1ccc(C(CC)(CC)NC(=O)c2cnn3c2N[C@H](c2ccccc2)CC3(C)C)cc1 ZINC000066114207 JK Annotated Anodyne CCOC(=O)c1ccc(C(CC)(CC)NC(=O)c2cnn3c2N[C@@H](c2ccccc2)CC3(C)C)cc1 ZINC000066114209 JK Annotated Anodyne CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(OC)c(F)c1 ZINC000066114221 JK Annotated Anodyne CCc1ccc(C(CC)(CC)NC(=O)c2c(C)nn3c2N[C@@H](c2ccccc2)CC3(C)C)cc1 ZINC000066114224 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(CC(C)=CC[C@@H](C)O2)c2c(Br)cccc21 ZINC000066114361 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(CC(C)=CC[C@H](C)O2)c2c(Br)cccc21 ZINC000066114362 JK Annotated Anodyne O=C1c2ccccc2[C@@](OC2CCC(O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114384 JK Annotated Bother O=C1c2ccccc2[C@](OC2CCC(O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114386 JK Annotated Bother O=C1c2ccccc2[C@@](O[C@@H]2C=C[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114388 JK Annotated Bother O=C1c2ccccc2[C@](O[C@@H]2C=C[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114389 JK Annotated Bother CC[C@@]1(c2ccc(CSc3ccc(F)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066114534 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(F)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066114539 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(F)c(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066114542 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(F)c(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066114543 JK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(Cl)cc1 ZINC000066114553 JK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(Cl)cc1 ZINC000066114555 JK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(O[C@@H](C)CC4=CCC[C@@H]43)c3c(Br)cccc32)cc1 ZINC000066114636 JK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(O[C@@H](C)CC4=CCC[C@H]43)c3c(Br)cccc32)cc1 ZINC000066114639 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(OC)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066122799 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(OC)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066122801 JK Annotated Anodyne FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)ccc1Cl ZINC000066122926 JK Annotated Anodyne O=C1N(CC2CC2)c2cccc(Br)c2[C@@]12O[C@@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000066123012 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3c(C)cccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123046 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3c(C)cccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123048 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3c(Cl)cccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123049 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3c(Cl)cccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123051 JK Annotated Anodyne CC[C@@]1(c2ccc(COc3cccc(CCO)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123056 JK Annotated Anodyne CC[C@]1(c2ccc(COc3cccc(CCO)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123057 JK Annotated Anodyne Cc1ccccc1CCn1cc(-c2ccc(-c3ccccc3COc3cccc4ccccc34)cc2)nn1 ZINC000066123081 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123170 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123172 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cccc(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123183 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123185 JK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cccc(C(F)(F)F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123186 JK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(C(F)(F)F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123188 JK Annotated Anodyne CCCc1nn2c(c1C(=O)NC(CC)(CC)c1ccc(C)cc1)N[C@@H](c1ccccc1)CC2(C)C ZINC000066123301 JK Annotated Anodyne CCCc1nn2c(c1C(=O)NC(CC)(CC)c1ccc(C)cc1)N[C@H](c1ccccc1)CC2(C)C ZINC000066123303 JK Annotated Anodyne Oc1cc(-c2cc(F)c(Cl)nc2Cl)nc2c(-c3cccc4ccccc34)c(C(F)(F)F)nn12 ZINC000066123486 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066123517 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066123519 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(OC)cc3C[C@@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066123521 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066123523 JK Annotated Anodyne CCC1=C(OC)C(CC)(CC)c2oc(-c3cccc4ccccc34)c(Br)c(=O)c2C1=O ZINC000066123591 JK Annotated Mild CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 ZINC000066123601 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 ZINC000066123603 JK Annotated Anodyne C[C@@]12C=C(/C=C\c3ccc(C(F)(F)F)cc3)[C@@](C)(C1)[C@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000066123863 JK Annotated Anodyne CCN1C(N(C)CCc2c[nH]c3ccccc23)=N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C ZINC000066124044 JK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)C2CC2)CC3)c(C)c1 ZINC000066124064 JK Annotated Anodyne CCCC[C@H](O)c1cc(=O)oc2c(CC(=O)[C@@H](C)CC)c(OC)c(CC=C(C)C)c(OC)c12 ZINC000066124153 JK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(C(F)(F)F)cc1 ZINC000066124263 JK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C(F)(F)F)cc1 ZINC000066124264 JK Annotated Anodyne COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCc2ccccc2)c2cccs2)cc1Cl ZINC000066124585 JK Annotated Reactive COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCc2ccccc2)c2cccs2)cc1Cl ZINC000066124587 JK Annotated Reactive FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)ccc1Cl ZINC000066128488 JK Annotated Anodyne COC(=O)C1=C[C@@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000066128597 JK Annotated Anodyne COC(=O)C1=C[C@@H]([C@@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000066128599 JK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2[C@@H]1c1ccccc1N2C ZINC000066128601 JK Annotated Anodyne O=C1c2ccccc2[C@@](O[C@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066128708 JK Annotated Bother O=C1c2ccccc2[C@](O[C@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066128711 JK Annotated Bother C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2[C@]1(OCCCCO)c1ccc(Cl)cc1 ZINC000066128719 JK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2[C@@]1(OCCCCO)c1ccc(Cl)cc1 ZINC000066128721 JK Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2[C@]1(OCCCCO)c1ccc(Cl)cc1 ZINC000066128723 JK Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2[C@@]1(OCCCCO)c1ccc(Cl)cc1 ZINC000066128725 JK Annotated Anodyne COc1ccc(N(C(=O)[C@@H](C)Cl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000066128872 JK Annotated Reactive COc1ccc(N(C(=O)[C@@H](C)Cl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000066128874 JK Annotated Reactive COC(=O)C/C=C/[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000066128879 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000066128881 JK Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000066128882 JK Annotated Anodyne O=C1CCCC2=C1[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000066129149 JK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CC(C)C)N[C@@H]1c1ccc(Br)cc1 ZINC000066129266 JK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3C1 ZINC000066136221 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]24C)[C@H]3C1 ZINC000066136222 JK Annotated Anodyne O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@@]12O[C@@H](COc1ccccc1)C[C@@H]1CCC[C@@H]12 ZINC000066136272 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066136274 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066136275 JK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066136276 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066136277 JK Annotated Anodyne FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)ccc1Cl ZINC000066136373 JK Annotated Anodyne C=CCNC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@H](c1ccccc1)C3 ZINC000066136408 JK Annotated Mild FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2Cl)ccc1Cl ZINC000066136491 JK Annotated Anodyne C[C@@]12C=C(/C=C\c3ccc(Br)cc3)[C@@](C)(C1)[C@H](c1ccc(Br)cc1)CC2=O ZINC000066136566 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](c3ccsc3)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000066136577 JK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000066136676 JK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)c2cccnc2)CC3)c(C)c1 ZINC000066138558 JK Annotated Anodyne Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2Cl)cc1Cl ZINC000066138762 JK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](c3ccsc3)(C2)Oc2cc(-c3ccccc3)oc(=O)c21 ZINC000066138951 JK Annotated Anodyne Clc1ccccc1Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccn1 ZINC000066139429 JK Annotated Anodyne C[C@H]1C=CCCO[C@]12C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000066147918 JK Annotated Anodyne C[C@@H]1C=CCCO[C@@]12C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000066147922 JK Annotated Anodyne C[C@H]1C=CCCO[C@@]12C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000066147925 JK Annotated Anodyne FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)ccc1Cl ZINC000066148700 JK Annotated Anodyne COc1cc([C@H](NC(=O)C(F)(F)F)[C@@H]2CCCCC=C2c2ccccc2)cc(OC)c1OC ZINC000066148737 JK Annotated Anodyne COc1cc([C@H](NC(=O)C(F)(F)F)[C@H]2CCCCC=C2c2ccccc2)cc(OC)c1OC ZINC000066148738 JK Annotated Anodyne CO[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066156307 JK Annotated Anodyne Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(C(F)(F)F)c1 ZINC000066156591 JK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000066156625 JK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000066156626 JK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000066156628 JK Annotated Anodyne CCCCCCCC[n+]1c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cn2cccnc21 ZINC000066156650 JK Annotated Mild CC1=C[C@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000066156823 JK Annotated Anodyne CC1=C[C@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000066156825 JK Annotated Anodyne C[C@@H]1[C@@H](C(=O)N2CCCC2)c2cc3ccccc3nc2-c2nc3ccccc3cc2[C@H]1c1ccccc1 ZINC000066157343 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)c2cc3ccccc3nc2-c2nc3ccccc3cc2[C@@H]1C(=O)N1CCCC1 ZINC000066157345 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)OC ZINC000066157408 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)OC ZINC000066157410 JK Annotated Mild FC(F)(F)c1cc([C@H]2O[C@@H](c3ccccc3)N3CCCC[C@@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066157423 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000066157479 JK Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000066157481 JK Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000066157483 JK Annotated Anodyne CC(C)(N)/C=C/c1cccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)n1 ZINC000066157519 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3ccccc3[C@H]2O1 ZINC000066165834 JK Annotated Mild CCCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2 ZINC000066165888 JK Annotated Anodyne COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-] ZINC000066166430 JK Annotated Mild CC(C)=CCN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000066166693 JK Annotated Anodyne CC(C)=CCN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066166696 JK Annotated Anodyne CC(C)=CCN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066166699 JK Annotated Anodyne CC1=C[C@@H]2c3ccccc3C[C@@H]2CO[C@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066166829 JK Annotated Anodyne CC1=C[C@H]2c3ccccc3C[C@@H]2CO[C@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066166830 JK Annotated Anodyne CC1=C[C@@H]2c3ccccc3C[C@H]2CO[C@]12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066166831 JK Annotated Anodyne COc1ccc([C@@]23Cc4ccccc4[C@@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000066166958 JK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)c2ccco2)CC3)c(C)c1 ZINC000066166975 JK Annotated Anodyne Cc1c([C@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc2n1CC#N ZINC000066166995 JK Annotated Mild COc1ccc(Cn2c(SCc3ccc(Cl)c(C(F)(F)F)c3)nnc2-c2ccccn2)cc1 ZINC000066167091 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3cc(C#N)ccc3[C@H]2O1 ZINC000066167252 JK Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@@](c3ccsc3)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000066167302 JK Annotated Anodyne CC1=C[C@H](COCc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000066167305 JK Annotated Anodyne CC1=C[C@@H](COCc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000066167306 JK Annotated Anodyne CC1=C[C@H](COCc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1ccccc12 ZINC000066167307 JK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000066251017 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000066251020 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O ZINC000066251021 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3)[C@@H](C)C(=O)O ZINC000066251027 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O ZINC000066251029 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O ZINC000066251031 JK Annotated Mild C[C@H]1/C(=N/O)C[C@@H](O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000066251063 JK Annotated Mild C=C(OC)[C@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 ZINC000066251064 JK Annotated Anodyne C=C(OC)[C@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3 ZINC000066251065 JK Annotated Anodyne C=C(OC)[C@@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 ZINC000066251066 JK Annotated Anodyne C=C(OC)[C@@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3 ZINC000066251067 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066251147 JK Annotated Anodyne C[C@@H]1C[C@H]2Cc3ncc([C@@H]4CC[C@@H]5[C@@H](C[C@@H]6C[C@@H](C)C[C@]57NCCC[C@H]67)N4)cc3[C@]3(C1)NCCC[C@H]23 ZINC000066251259 JK Annotated Anodyne Cc1cc2c(CCc3nc(-c4ccc(Cl)cc4Cl)oc3C(C)C)noc2cc1OCC(=O)O ZINC000066251285 JK Annotated Anodyne Fc1cc(C(=S)Nc2ccccc2NC(=S)c2cc(F)c(F)c(F)c2)cc(F)c1F ZINC000066251409 JK Annotated Anodyne CN(C(=S)c1cc(F)c(F)c(F)c1)c1ccccc1NC(=S)c1cc(F)c(F)c(F)c1 ZINC000066251410 JK Annotated Anodyne C[C@@H]1C[C@H]2Cc3ncc(-c4ccc5c(n4)C[C@@H]4C[C@@H](C)C[C@]56NCCC[C@H]46)cc3[C@]3(C1)NCCC[C@H]23 ZINC000066251468 JK Annotated Anodyne C[C@@H]1C[C@H]2Cc3ncc(-c4ccc5c(n4)C(=O)[C@@H]4C[C@@H](C)C[C@]56NCCC[C@H]46)cc3[C@]3(C1)NCCC[C@H]23 ZINC000066251469 JK Annotated Anodyne Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CCC4CCN(C(=O)OC(C)(C)C)CC4)cc3)oc12 ZINC000066251549 JK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CC4CCN(C(=O)OC(C)(C)C)CC4)cc3)oc12 ZINC000066251550 JK Annotated Mild CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1C2 ZINC000066251552 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@@H](C)C(=O)OC ZINC000066251599 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)OC ZINC000066251600 JK Annotated Mild CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000066251633 JK Annotated Mild Cc1nnc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2C#N)c2cn(-c3ccccc3)nc12 ZINC000066251634 JK Annotated Mild CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000066251635 JK Annotated Mild Cc1ccc2nc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1 ZINC000066251640 JK Annotated Anodyne O=C(CCNCCSSCCNCCC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000066251742 JK Annotated Reactive Cc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12Cc1ccccc1C2=O ZINC000066251838 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)OC ZINC000066251846 JK Annotated Mild in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)OC ZINC000066251848 JK Annotated Mild in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@H](C)C(=O)OC ZINC000066251849 JK Annotated Mild NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000066251880 JK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCc2ccc(O)c(O)c2)c(C)c1C ZINC000066251919 JK Annotated Clean Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(Cl)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066251935 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(Cl)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066251936 JK Annotated Anodyne CCOC(OCC)c1cccc(/C=C2\CC/C(=C\c3cccc(C(OCC)OCC)c3)C2=O)c1 ZINC000066251969 JK Annotated Mild Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O ZINC000066251988 JK Annotated Anodyne Cc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000066252083 JK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066252085 JK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)C[C@@H](O)[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]3(C)[C@H]12 ZINC000066252239 JK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(C)(C)O3 ZINC000066252323 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)OC ZINC000066252326 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)OC ZINC000066252327 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3O)[C@@H](C)C(=O)O ZINC000066252328 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3O)[C@H](C)C(=O)O ZINC000066252329 JK Annotated Mild COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1cccc(N=[N+]=[N-])c1 ZINC000066252375 JK Annotated Mild Oc1ccccc1[C@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066252480 JK Annotated Clean Oc1ccccc1[C@@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066252481 JK Annotated Clean Oc1ccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066252482 JK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066252483 JK Annotated Anodyne COc1ccccc1[C@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066252484 JK Annotated Anodyne COc1ccccc1[C@@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066252485 JK Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Cl)c(N4CCCCC4)c3)cc2c1 ZINC000066252622 JK Annotated Anodyne Fc1ccc2nc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1 ZINC000066252624 JK Annotated Anodyne CCCCCn1cc(C(=O)NCC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)cc1-c1ccccc1 ZINC000066252701 JK Annotated Anodyne Cc1ccc(NC(=O)Oc2cccc3c2N=C(c2ccccc2)C[C@@](C)(c2ccccc2)N3)cc1 ZINC000066252757 JK Annotated Anodyne Cc1ccc(NC(=O)Oc2cccc3c2N=C(c2ccccc2)C[C@](C)(c2ccccc2)N3)cc1 ZINC000066252758 JK Annotated Anodyne CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(Cc3ccc(C(=O)O)cc3)nc21 ZINC000066252840 JK Annotated Anodyne C[C@H]1NC(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000066258304 JK Annotated Anodyne C=C(C)[C@H](O)CC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066258383 JK Annotated Mild C[C@H]1OC(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000066258551 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)CC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)oc2c1 ZINC000066258713 JK Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)/C=C/c1cc(Br)ccc1OCC ZINC000066258910 JK Annotated Mild CC1(C)CC(Nc2nc(-c3ccc(-c4ccc(Cl)cc4)s3)c3ccccc3n2)CC(C)(C)N1 ZINC000066258969 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(SC)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259006 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000066259024 JK Annotated Anodyne C=C(C)[C@H](CC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C)OO ZINC000066259025 JK Annotated Mild C=C(C)[C@@H](CC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C)OO ZINC000066259026 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H](C(=C)C)[C@@H](O)C[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000066259164 JK Annotated Mild CCCCCCCCCCCCCCCC/C=C(\Cl)CC/C=C\CCCC[C@@H]1OC[C@H](N)[C@@H]1O ZINC000066259166 JK Annotated Mild COc1ccc([C@@H]2[C@@H](c3ccc(Br)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259173 JK Annotated Anodyne C=C(C)[C@H](CC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)OO ZINC000066259200 JK Annotated Mild C=C(C)[C@@H](CC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)OO ZINC000066259201 JK Annotated Mild COc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1 ZINC000066259329 JK Annotated Anodyne COc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1 ZINC000066259330 JK Annotated Anodyne COc1ccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066259331 JK Annotated Anodyne COc1ccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066259332 JK Annotated Anodyne CC1(C)C=Cc2c(ccc3oc4cc(-c5ccc6c(c5)oc5ccc7c(c56)C=CC(C)(C)O7)ccc4c23)O1 ZINC000066259467 JK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(C)(C)O3 ZINC000066259470 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(Cl)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259477 JK Annotated Anodyne CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2c1ncn2Cc1ccc(C(=O)O)cc1 ZINC000066259481 JK Annotated Anodyne Brc1cc(Br)c2oc3c(Br)c(Br)[nH]c3c2c1 ZINC000066259536 JK Annotated Anodyne O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 ZINC000066259687 JK Annotated Bother FC(F)(F)c1cccc(-c2cn(-c3ccccc3)c(-c3cccc(CN4CCOCC4)c3)n2)c1 ZINC000066259743 JK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1cccs1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066259765 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cn3c2Nc2ccccc2)cc1 ZINC000066259814 JK Annotated Bother COc1ccc(/C=C/O[C@H](CC=C(C)C)C2=CC(=O)c3c(OC)ccc(OC)c3C2=O)cc1OC ZINC000066259832 JK Annotated Mild FC(F)(F)c1cccc(-c2cn(Cc3ccccc3)c(-c3cccc(CN4CCOCC4)c3)n2)c1 ZINC000066259911 JK Annotated Anodyne Fc1cc(C(=S)Nc2ccc(NC(=S)c3cc(F)c(F)c(F)c3)cc2)cc(F)c1F ZINC000066259946 JK Annotated Anodyne Fc1ccccc1[C@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066259977 JK Annotated Mild Fc1ccccc1[C@@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066259978 JK Annotated Mild Fc1ccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066259979 JK Annotated Mild Fc1ccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066259980 JK Annotated Mild COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-] ZINC000066260001 JK Annotated Mild COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1Cc1ccc(N=[N+]=[N-])cc1 ZINC000066260002 JK Annotated Mild Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3cn4cccc(C)c4n3)cc2c1 ZINC000066260044 JK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000066260114 JK Annotated Anodyne Cc1ccc(-c2nc3ncc(-c4nnc(-c5ccc(F)cc5)o4)cn3c2Nc2ccccc2)cc1 ZINC000066260161 JK Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cc(Cl)c(O)c(Cl)c3)cc2c1 ZINC000066262212 JK Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2cccc(Br)c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066262227 JK Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2cccc(Br)c2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066262229 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(F)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066262469 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(F)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066262471 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)oc2c1 ZINC000066262474 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)oc2c1 ZINC000066262478 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(F)cc4)c4ccc(Cl)cc4)CC3)oc2c1 ZINC000066262481 JK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(F)cc4)c4ccc(Cl)cc4)CC3)oc2c1 ZINC000066262484 JK Annotated Anodyne Cc1ccc(-c2nc3ccc(-c4nc5ccc(Br)cc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066262921 JK Annotated Anodyne Fc1ccc2nc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1 ZINC000066262924 JK Annotated Anodyne Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000066263003 JK Annotated Reactive CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](O)C[C@@H]2[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000066263100 JK Annotated Anodyne COc1cc(/C=C/c2nc(NCc3ccccc3)c3c4c(sc3n2)CCC4)ccc1-n1cnc(C)c1 ZINC000066263445 JK Annotated Anodyne N#Cc1c(-c2nnc(O)c3nn(-c4ccc(Cl)cc4)cc23)nn(-c2ccccc2)c1-c1ccccc1 ZINC000066263557 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H](C(C)(C)O)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000066263828 JK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]43C)[C@@H]2C1 ZINC000066263833 JK Annotated Anodyne CCCCCCCc1cc2c(=O)oc3cc(OC)c4c(c3c2oc1=O)C[C@@H](CCCCC)O4 ZINC000066449262 JK Annotated Mild Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1cccn1-c1ccccn1)C2 ZINC000067847493 JK Annotated Anodyne CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000067913001 JK Annotated Anodyne CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C ZINC000067913184 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C ZINC000067913188 JK Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C ZINC000067913189 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@@]21C ZINC000067913191 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@H](C)C2=C[C@H](C(C)(C)O)CC[C@@]21C ZINC000067913193 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@@]21C ZINC000067913195 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@H](C)C2=C[C@H](C(C)(C)O)CC[C@@]21C ZINC000067913196 JK Annotated Anodyne in-man Oc1c(Br)cc(-c2cnc(OCc3ccc(Cl)cc3)nn2)cc1Br ZINC000068151273 JK Annotated Anodyne in-vivo Cc1c(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)oc2ccc(Br)cc12 ZINC000068197546 JK Annotated Anodyne COc1cc(Nc2nc(OC(C)C)nc(N(C)c3ccc(Cl)cc3)n2)ccc1-n1cnc(C)c1 ZINC000068204348 JK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@H](c4cc(F)cc(Cl)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000068205883 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000068205925 JK Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1ccncc1 ZINC000068207714 JK Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1ccncc1 ZINC000068207716 JK Annotated Anodyne CC(=O)OCCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC(C)C ZINC000068208105 JK Annotated Anodyne CN1Cc2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000068209219 JK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000068244885 JK Annotated Anodyne CCOC(=O)[C@](C)(Cc1ccccc1)c1c(C)cnc2c(-c3ccc(C(F)(F)F)cc3)cnn12 ZINC000068248651 JK Annotated Anodyne COc1cc(N2CCN(C(=O)N[C@@H](C)c3cccc4ccccc34)C[C@@H]2C)ccc1-c1cnc(C)o1 ZINC000068249517 JK Annotated Anodyne C=C(C)C[C@]1(c2ccccc2)CCN(C(C)(C)C#Cc2ccc3c(ccc(=O)n3C)c2)C(=O)O1 ZINC000068249568 JK Annotated Mild C=C(C)C[C@@]1(c2ccccc2)CCN(C(C)(C)C#Cc2ccc3c(ccc(=O)n3C)c2)C(=O)O1 ZINC000068249570 JK Annotated Mild COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(Cl)c[nH]c2=O)cc1C(C)(C)C ZINC000068267232 JK Annotated Anodyne CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)c(C)c1 ZINC000068267236 JK Annotated Anodyne CCN1CCN(c2ccc(Nc3ncc4scc(-c5cnc6ccccc6c5)c4n3)cn2)CC1 ZINC000068267340 JK Annotated Anodyne CC(C)(O)[C@H]1OC[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C[C@@H]1O ZINC000069481895 JK Annotated Anodyne in-vitro biogenic CC(C)=C/C=C/C(C)=C/[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000069481953 JK Annotated Anodyne in-vitro biogenic CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000069481956 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@@]2(C)[C@]3(C)CC[C@]4(C)[C@](C)(CC[C@@]5(C)CCC(C)(C)C[C@@]45C)[C@@]3(C)CC[C@]12C ZINC000069482065 JK Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2CC[C@]1(C)CC3 ZINC000069482204 JK Annotated Anodyne in-vitro biogenic C=C(C)[C@H](CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)OO ZINC000069482387 JK Annotated Mild in-vitro biogenic CC1=C[C@H](O)[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000070451066 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O)C[C@]12C ZINC000070451077 JK Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000070451097 JK Annotated Anodyne in-vitro biogenic C=C1CCC[C@@]2(C)C[C@]3([C@]45C[C@@]6(C)CCCC(=C)[C@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000070451259 JK Annotated Mild in-vitro biogenic C=C1CCC[C@@]2(C)C[C@@]3([C@@]45C[C@@]6(C)CCCC(=C)[C@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000070451272 JK Annotated Mild in-vitro biogenic C[C@H]1[C@]2(O)CC[C@H]3[C@@]4(C)CC[C@@]5(C)[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@@H]4CC[C@@]31CO2 ZINC000070454020 JK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCC(=O)OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C)[C@@H]2O ZINC000070454163 JK Annotated Mild in-vitro biogenic CCCCCCCCCCCCCCCC(=O)OCCc1c(C)cc2c(c1C)C(=O)[C@@](C)(CO)C2 ZINC000070454165 JK Annotated Mild in-vitro biogenic CO[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000070454187 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=C(C[C@H]2[C@@]1(C)O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000070454217 JK Annotated Anodyne in-vitro biogenic C=C1[C@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)C3=C(C[C@@H]12)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 ZINC000070454218 JK Annotated Mild in-vitro biogenic CCC(=O)O[C@H]1CC(C)=C(/C=C/C(C)=C/C=C/C=C(C)/C=C/[C@@H]2C(C)=C[C@@H](O)CC2(C)C)C(C)(C)C1 ZINC000070454315 JK Annotated Anodyne in-vitro biogenic CC1=CC[C@@H]([C@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)OC(=O)CC[C@]56C[C@]46CC[C@]23C)OC1=O ZINC000070454349 JK Annotated Anodyne in-vitro biogenic CC/C(O)=C1\C(C(=O)c2c(O)c(CC=C(C)C)c(O)c3c(C)c(C)c(=O)oc23)=CCC[C@@H]1C ZINC000070454363 JK Annotated Mild in-vitro biogenic C[C@]1(C(=O)O)CC[C@]2(C)C(=O)C[C@]3(C)C(=C2C1)C=C[C@@H]1[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC[C@]13C ZINC000070454394 JK Annotated Anodyne in-vitro biogenic CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@H]2[C@@H]1[C@H](CC[C@@H]3C)C1(C)C ZINC000070454442 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C=O ZINC000070454506 JK Annotated Mild in-vitro biogenic CC1(C)[C@@H]2CCC3=C(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CCC1(O)O ZINC000070454602 JK Annotated Anodyne in-vitro biogenic CO[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4=O ZINC000070454867 JK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]4[C@@H](CN5C[C@@H](C)CC[C@@H]5[C@@H]4C)[C@@H]3C[C@@H]12 ZINC000070454891 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]1(C)CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@@H]4[C@@H](CN5C[C@@H](C)CC[C@@]5(C)[C@@]4(C)O)[C@@H]3C[C@@H]12 ZINC000070454892 JK Annotated Anodyne in-vitro biogenic COC[C@@H](C/C=C/c1ccc(O)cc1)[C@H](OC/C=C/c1ccc(OC(C)=O)cc1)c1ccc(O)cc1 ZINC000070455142 JK Annotated Anodyne in-vitro biogenic COC[C@H](C/C=C/c1ccc(O)cc1)[C@@H](OC/C=C/c1ccc(OC(C)=O)cc1)c1ccc(O)cc1 ZINC000070455143 JK Annotated Anodyne in-vitro biogenic C/C(=C\Cc1c(O)c2c(c3cc(-c4cc(O)cc(O)c4)oc13)CCC(C)(C)O2)CCCC(C)(C)O ZINC000070455281 JK Annotated Anodyne in-vitro biogenic C[C@H]1[C@@]2(O)OC[C@@]13CC[C@@H]1[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]14C)[C@@H]3CC2=O ZINC000070455284 JK Annotated Anodyne in-vitro biogenic CC1=C2CC[C@@H]3[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)[C@H]1O ZINC000070455286 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@H]2[C@]13O[C@H]3C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000070455287 JK Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@]23CC[C@@H]4[C@@](C)(CC[C@@]5(C)[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2C[C@@H](O)[C@]1(O)OC3 ZINC000070455291 JK Annotated Anodyne in-vitro biogenic CC1=C(O)C(=O)C[C@@H]2[C@@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C=O ZINC000070455294 JK Annotated Mild in-vitro biogenic C[C@H]1CC(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070455297 JK Annotated Anodyne in-vitro biogenic C[C@H]1C2=C3CC(C)(C)CC[C@]3(C)C[C@@H]1O[C@H]1C[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]3(C)[C@@H](CC2)[C@@H]1C ZINC000070455325 JK Annotated Anodyne in-vitro biogenic C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@]4(C)[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2[C@@H]1C ZINC000070455620 JK Annotated Mild in-vitro biogenic FC(F)(F)c1cccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)n1 ZINC000070647145 JK Annotated Anodyne in-vitro N=C(N)c1ccc([C@@H]2[C@H]3CCC[C@H]3[C@@H]3[C@H]2C(=O)N(Cc2ccc4c(c2)OCO4)[C@@H]3c2ccccc2)cc1 ZINC000070718809 JK Annotated Anodyne N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccc5c(c4)OCO5)[C@H](c4ccccc4)[C@H]3[C@@H]3CCC[C@@H]32)cc1 ZINC000070718811 JK Annotated Anodyne CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(CCN(C)C)Cc3ccccc3)nc21 ZINC000070719216 JK Annotated Anodyne CC(C)[C@H](O)N(Cc1ccccc1)c1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719327 JK Annotated Anodyne CC(C)[C@H](O)N(Cc1cccc(F)c1)c1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719329 JK Annotated Anodyne Cc1ccc(CN(c2nc(Nc3cccc(Cl)c3)c3c(n2)N(C(C)C)CN3)[C@@H](O)C(C)C)cc1 ZINC000070719331 JK Annotated Anodyne CC(C)[C@H](O)N(Cc1ccc(F)cc1)c1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719333 JK Annotated Anodyne CC(C)[C@H](O)N(CC1CCCCC1)c1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 ZINC000070719335 JK Annotated Anodyne CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC[C@H](C)C(=O)O1 ZINC000071280555 JK Annotated Mild in-vitro O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1ccc3ccccc3c1N2 ZINC000071280588 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1ccc3ccccc3c1N2 ZINC000071280590 JK Annotated Anodyne CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1C[C@H](C)[C@H](C)C(=O)O1 ZINC000071280624 JK Annotated Mild in-vitro CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000071280710 JK Annotated Anodyne in-vitro O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12 ZINC000071280991 JK Annotated Bother O=C1NCC(=O)N(Cc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000071281089 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1cc3c(cc1N2)CCCC3 ZINC000071281413 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1cc3c(cc1N2)CCCC3 ZINC000071281414 JK Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CSC(C(C)C)=N[C@H]5CC[C@@]45C[C@@]35C(=O)C[C@]12C ZINC000071281416 JK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000071281668 JK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000071281670 JK Annotated Mild C=CCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000071281824 JK Annotated Mild COc1ccc(-c2ccn(-c3ccc(C(=O)O)c(Cl)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071281961 JK Annotated Anodyne O=C(CCCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc21 ZINC000071281999 JK Annotated Anodyne Brc1cccc(/C=C/c2nc3ccccc3nc2SCc2nc3ccccc3[nH]2)c1 ZINC000071282026 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)C(=O)C[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000071282133 JK Annotated Mild in-vitro C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@]12O ZINC000071282148 JK Annotated Mild O=C(/C=C/C=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(Cl)cc(Br)c1O ZINC000071287367 JK Annotated Mild C(#Cc1cccc(C#CCCC[n+]2cccc3ccccc32)c1)CCC[n+]1cccc2ccccc21 ZINC000071294225 JK Annotated Mild O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1ccc3c(O)cccc3c1N2 ZINC000071294328 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1ccc3c(O)cccc3c1N2 ZINC000071294329 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@@H](C(C)(C)O)[C@]1(C)CCC(=O)OC ZINC000071294374 JK Annotated Mild in-vitro CO[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000071294376 JK Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(O)[C@@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)C[C@H]3O ZINC000071294416 JK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@]12OC ZINC000071294448 JK Annotated Mild O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1ccc3[nH]ccc3c1N2 ZINC000071294488 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1ccc3[nH]ccc3c1N2 ZINC000071294489 JK Annotated Anodyne CC[C@@H]1[C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071294559 JK Annotated Mild CC[C@H]1[C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071294560 JK Annotated Mild O=[N+]([O-])c1ccc(N2CCCN(CC[C@@H](O)c3csc4ccccc34)CC2)c(C(F)(F)F)c1 ZINC000071294636 JK Annotated Bother O=[N+]([O-])c1ccc(N2CCCN(CC[C@H](O)c3csc4ccccc34)CC2)c(C(F)(F)F)c1 ZINC000071294637 JK Annotated Bother O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1c(ccc3ccccc13)N2 ZINC000071294779 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1c(ccc3ccccc13)N2 ZINC000071294780 JK Annotated Anodyne CCCCCCCCCCO[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000071294808 JK Annotated Mild O=C(CCN1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12 ZINC000071294834 JK Annotated Bother O=C(CCCCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc21 ZINC000071294890 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000071294931 JK Annotated Mild in-vitro FC(F)(F)c1ccccc1Sc1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000071295026 JK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](O)C(C)=C(CC[C@H]2C(=C)CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000071295066 JK Annotated Mild in-vitro C=C1[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(O)[C@@H](O)C[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)C[C@@H]3O ZINC000071295100 JK Annotated Mild CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1 ZINC000071295138 JK Annotated Mild in-vitro O=C(CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)c1csc2ccccc12 ZINC000071295217 JK Annotated Bother COc1ccc(-c2ccn([C@@H](CC(=O)O)c3ccccc3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295417 JK Annotated Anodyne COc1ccc(-c2ccn([C@H](CC(=O)O)c3ccccc3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295418 JK Annotated Anodyne C=C(C)[C@@H]1CCC(=C)[C@H](CC[C@H]2C(C)=CC[C@@H](C(=C)C)[C@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)OCC ZINC000071295468 JK Annotated Mild in-vitro C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@]1(C)CCC(=O)OCC ZINC000071295539 JK Annotated Mild in-vitro C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CCC1=C(C)[C@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000071295541 JK Annotated Mild in-vitro O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1ccc3ccc(O)cc3c1N2 ZINC000071295543 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1ccc3ccc(O)cc3c1N2 ZINC000071295544 JK Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1O)c1ccc3ccccc3c1N2 ZINC000071295672 JK Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1O)c1ccc3ccccc3c1N2 ZINC000071295673 JK Annotated Anodyne C=CCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000071295688 JK Annotated Mild Nc1cc2c(c3ccccc13)NC1=C(C(=O)OC1)[C@@H]2c1cc(Br)cc(Br)c1 ZINC000071295716 JK Annotated Anodyne Nc1cc2c(c3ccccc13)NC1=C(C(=O)OC1)[C@H]2c1cc(Br)cc(Br)c1 ZINC000071295717 JK Annotated Anodyne CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)C=C1 ZINC000071295731 JK Annotated Anodyne CCc1sc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)nc1CN(CCO)C(C)C ZINC000071295770 JK Annotated Anodyne CCc1sc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)nc1CN(CC)CCO ZINC000071295776 JK Annotated Anodyne CC(C)[C@H](C)[C@H](C)[C@@H](O)[C@]1(C)O[C@]12CC[C@H]1[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000071295850 JK Annotated Anodyne O=C1NCC(=O)N(Cc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)[C@H]1Cc1c[nH]c2ccccc12 ZINC000071295884 JK Annotated Anodyne CC(C)N(CCO)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)sc1Cl ZINC000071295978 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C(=O)O[C@]5(CC[C@@H]3[C@@H]12)[C@@]4(C)CC[C@]12O[C@@]15[C@@H](C)CC2(C)C ZINC000071296059 JK Annotated Mild in-vitro CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000071296087 JK Annotated Mild COc1ccc2ncc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)cc2c1 ZINC000071296200 JK Annotated Anodyne FC(F)(F)c1cccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)c1 ZINC000071296210 JK Annotated Anodyne FC(F)(F)c1cccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000071296244 JK Annotated Anodyne Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1 ZINC000071296308 JK Annotated Anodyne COc1ccc([C@H]2/C(=C/c3ccc(C)s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071296315 JK Annotated Anodyne COc1ccc([C@@H]2/C(=C/c3ccc(C)s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071296316 JK Annotated Anodyne CCCC(O)(CCC)[C@H](Cc1cn(C)c2ccccc12)NCc1c2ccccc2cc2ccccc12 ZINC000071296392 JK Annotated Bother CC(C)(C)Nc1c(F)cc2c(=O)c(C(=O)O)cn(Cc3ccc(C(F)(F)F)cc3)c2c1F ZINC000071296397 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1O ZINC000071296695 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1O ZINC000071296696 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](CO)CCC=C(C)C)[C@H](O)C[C@@]23C)[C@@]1(C)CCCO ZINC000071296726 JK Annotated Mild C[C@@H]1C(=NNC(=S)Nc2ccccc2)[C@@H](C)[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000071315871 JK Annotated Mild CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000071315943 JK Annotated Mild COc1ccc([C@H]2O[C@@H](c3ccc(OC)cc3)[C@H](C)C(=NNC(=S)Nc3ccccc3)[C@H]2C)cc1 ZINC000071315944 JK Annotated Mild CS(=O)(=O)c1cscc1-c1cc(C(=O)O)cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 ZINC000071316123 JK Annotated Anodyne FC(F)(F)c1ccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)cc1 ZINC000071316458 JK Annotated Anodyne C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCCO)C3=CC[C@]12C)C(C)C ZINC000071316610 JK Annotated Mild N#CC(C#N)=C(SCc1nnc(-c2ccccc2)s1)SCc1nnc(-c2ccccc2)s1 ZINC000071316686 JK Annotated Reactive Cc1cc(C(=O)Nc2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)cc2)c(C)o1 ZINC000071316710 JK Annotated Anodyne FC(F)(F)c1ccccc1Sc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000071316793 JK Annotated Anodyne Clc1cccc(Cn2cc(Cc3cn(Cc4cccc(Cl)c4)c4ccccc34)c3ccccc32)c1 ZINC000071316804 JK Annotated Anodyne FC(F)(F)c1ccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000071316811 JK Annotated Anodyne Brc1ccccc1Sc1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000071316820 JK Annotated Anodyne CCN(CC)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071316928 JK Annotated Reactive COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCCCC3)nn2-c2ccccc2Br)cc1 ZINC000071316935 JK Annotated Mild N#CCC1=C(C#N)CC(c2ccc([N+](=O)[O-])cc2)=C(CC(=O)c2ccc(Br)cc2)O1 ZINC000071316954 JK Annotated Reactive CCCN(CCC)c1nc2c(c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn2C)c(=O)n1C ZINC000071317003 JK Annotated Anodyne COc1cccc([C@H]2O[C@@H](c3cccc(OC)c3)[C@H](C)C(=NNC(=S)Nc3ccccc3)[C@H]2C)c1 ZINC000071317077 JK Annotated Mild C[C@@H]1C(=NNC(=S)Nc2ccccc2)[C@@H](C)[C@H](c2cccc(Cl)c2)O[C@@H]1c1cccc(Cl)c1 ZINC000071317323 JK Annotated Mild CCn1c(C)c([C@@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21 ZINC000071317364 JK Annotated Anodyne CCn1c(C)c([C@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21 ZINC000071317365 JK Annotated Anodyne CON=C1[C@H]2CCC[C@@H]1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000071317388 JK Annotated Mild C[C@H](O)C1(CNC(=O)c2cc3cc(C#N)ccc3n2Cc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000071317411 JK Annotated Mild C[C@@H](O)C1(CNC(=O)c2cc3cc(C#N)ccc3n2Cc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000071317412 JK Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(COc3cccc4ccccc34)cc(=O)n21 ZINC000071317422 JK Annotated Anodyne C=C(CC[C@@H](CO)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCCO)C3=CC[C@]12C)C(C)C ZINC000071317593 JK Annotated Mild CCSC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071317607 JK Annotated Reactive COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000071317636 JK Annotated Mild COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000071317637 JK Annotated Mild N#CC(C#N)=C(SCc1nnc(-c2ccccc2)o1)SCc1nnc(-c2ccccc2)o1 ZINC000071317724 JK Annotated Reactive C[C@@H]1C(=NNC(=S)Nc2ccccc2)[C@@H](C)[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1Cl ZINC000071317748 JK Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3ccc4[nH]ccc4c3)cc(=O)n21 ZINC000071317822 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000071317850 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000071317852 JK Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000071317853 JK Annotated Anodyne CC1(C)OC(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@]3(C)CC[C@@]4(C)C(C)(C)CCC[C@]4(C)[C@H]3CC[C@H]21 ZINC000071317880 JK Annotated Anodyne Brc1ccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)cc1 ZINC000071317902 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(CO)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@]21C ZINC000071317961 JK Annotated Anodyne in-vitro C=C(CC[C@@H](C(=O)OC)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000071318030 JK Annotated Mild CN(C)/C=C/C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071318107 JK Annotated Reactive Cc1ccc(C(=O)c2nc3ccccc3n2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)cc1 ZINC000071318138 JK Annotated Anodyne COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNCc2cccc(Cl)c2)cc1 ZINC000071318226 JK Annotated Anodyne O[C@@H]1COc2ccc(-c3cc(-c4ccc(F)cc4)c4c(n3)-c3cc(Cl)ccc3OC4)cc2N1 ZINC000071318297 JK Annotated Anodyne O[C@H]1COc2ccc(-c3cc(-c4ccc(F)cc4)c4c(n3)-c3cc(Cl)ccc3OC4)cc2N1 ZINC000071318298 JK Annotated Anodyne Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3sc4cc(F)ccc4n23)cc1 ZINC000071318328 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](O)[C@]21C ZINC000071318335 JK Annotated Anodyne in-vitro Brc1cccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)c1 ZINC000071318367 JK Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000071318510 JK Annotated Mild Cc1c([C@@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc2n1CC#N ZINC000071318583 JK Annotated Mild Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccccc4)c3)c3ccccc23)no1 ZINC000071318685 JK Annotated Anodyne CC(=O)[C@H](C)CCC1=CC2=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000071318693 JK Annotated Anodyne Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCc3ccccc3)n1)CN(C(=O)NC1CCC1)C2 ZINC000071318735 JK Annotated Anodyne C=C(CC[C@@H](CO)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCCO)[C@H](C(=C)C)CC3)C(C)C ZINC000071318744 JK Annotated Mild COc1ccc([C@@H]2[C@H](c3ccc4ccccc4c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071318746 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc4ccccc4c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071318747 JK Annotated Anodyne CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000071318927 JK Annotated Mild O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000071318963 JK Annotated Bother CCOCCSc1ncnc2c1cnn2-c1nc(C)nc2sc3c(c12)-c1ccccc1CC3 ZINC000071318978 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C=O)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@]21C ZINC000071319017 JK Annotated Anodyne in-vitro Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)/C(C#N)=C/C=C/c2ccccc2)c2ccccc21 ZINC000071319042 JK Annotated Reactive C=C[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000071319045 JK Annotated Mild Brc1ccccc1Sc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000071319047 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccc(F)c1 ZINC000071319053 JK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccc(F)c1 ZINC000071319055 JK Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1cccc(F)c1 ZINC000071319056 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cc4ccccc4n3C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071319140 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3cc4ccccc4n3C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071319141 JK Annotated Anodyne CC(C)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071319229 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000071319250 JK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000071319251 JK Annotated Bother O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000071319253 JK Annotated Mild COC(=O)C(C)(C)O/N=C1\CC(C)(C)Nc2cc(F)c(-c3cccc4c(C)c[nH]c34)c(F)c21 ZINC000071319264 JK Annotated Mild COc1cc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)cc(OC)c1OC ZINC000071319308 JK Annotated Anodyne COc1cc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)cc(OC)c1OC ZINC000071319309 JK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)[C@H]3CCC[C@@H]2C3=NOC)cc1 ZINC000071319365 JK Annotated Mild C=C[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000071319433 JK Annotated Mild Cc1cccc(-c2nn(CCC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1 ZINC000071329072 JK Annotated Mild Cc1c([C@@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc2n1CCO ZINC000071329184 JK Annotated Anodyne CCC(O)(CC)[C@H](Cc1cn(C)c2ccccc12)NCc1c2ccccc2cc2ccccc12 ZINC000071329209 JK Annotated Bother N#CCn1cc([C@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21 ZINC000071329282 JK Annotated Mild N#CCn1cc([C@@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21 ZINC000071329283 JK Annotated Mild O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000071329312 JK Annotated Mild C=C[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000071329337 JK Annotated Mild N=C(N)[C@@H]1CCCN1C(=O)c1ccc(-c2nc(-c3cccc(CCC4CCCCC4)c3)co2)cc1 ZINC000071329354 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3cccc4ccccc34)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329432 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cccc4ccccc34)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329433 JK Annotated Anodyne CCCC(O)(CCC)[C@H](Cc1cn(CC)c2ccccc12)NCc1c2ccccc2cc2ccccc12 ZINC000071329534 JK Annotated Bother CC(C)C[C@H]1C(=O)N(CC(=O)O)C[C@H](c2ccccc2Br)c2cc(Cl)ccc21 ZINC000071329539 JK Annotated Anodyne Cc1ccc(C(=O)c2nc3c(n2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)CCCC3)cc1 ZINC000071329589 JK Annotated Anodyne Cc1c([C@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc2n1CCO ZINC000071329607 JK Annotated Anodyne Cc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(NC(=O)c2ccncc2)C2=C1C(=O)CC(C)(C)C2 ZINC000071329649 JK Annotated Mild Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 ZINC000071329776 JK Annotated Reactive N#CCC1=C(C#N)CC(c2ccc(Br)cc2)=C(CC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000071329795 JK Annotated Reactive COc1ccc([C@@H]2[C@H](c3cc4ccccc4s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329863 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cc4ccccc4s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329864 JK Annotated Anodyne C=C(CC[C@@H](CO)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000071329881 JK Annotated Mild O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000071329955 JK Annotated Mild Cc1ccc([C@H]2O[C@@H](c3ccc(C)cc3)[C@H](C)C(=NNC(=S)Nc3ccccc3)[C@H]2C)cc1 ZINC000071330031 JK Annotated Mild CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(O)ccc1[N+](=O)[O-] ZINC000071330050 JK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(O)ccc1[N+](=O)[O-] ZINC000071330051 JK Annotated Bother CC[C@@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000071330118 JK Annotated Anodyne CC[C@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000071330119 JK Annotated Anodyne CC[C@@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000071330120 JK Annotated Anodyne N#CCC1=C(C#N)CC(c2ccc(Br)cc2)=C(CC(=O)c2ccc(Br)cc2)O1 ZINC000071330455 JK Annotated Reactive CCn1c(CN2C(=O)CSc3ccc(C(F)(F)F)cc32)nnc1SCc1ccc(Cl)cc1 ZINC000071330535 JK Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 ZINC000071330564 JK Annotated Bother C[C@@H]1C(=NNC(=S)Nc2ccccc2)[C@@H](C)[C@H](c2ccc(F)cc2)O[C@@H]1c1ccc(F)cc1 ZINC000071330678 JK Annotated Mild CCn1cc(C[C@H](NCc2c3ccccc3cc3ccccc23)C(O)(CC)CC)c2ccccc21 ZINC000071330732 JK Annotated Bother CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC2CCCCC2)c1 ZINC000071330807 JK Annotated Anodyne NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@H]2c2c(O)cccc2F)s1 ZINC000071331075 JK Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@@H]2c2c(O)cccc2F)s1 ZINC000071331078 JK Annotated Clean CCCCN(CCCC)c1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 ZINC000071331191 JK Annotated Bother C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCC1CCCCC1 ZINC000071331215 JK Annotated Mild NC1=C(c2nc(-c3ccccc3)no2)[C@@H](c2cccc(F)c2)C2=C(O1)/C(=C/c1cccc(F)c1)CCC2 ZINC000071331382 JK Annotated Anodyne NC1=C(c2nc(-c3ccccc3)no2)[C@H](c2cccc(F)c2)C2=C(O1)/C(=C/c1cccc(F)c1)CCC2 ZINC000071331384 JK Annotated Anodyne COc1cc(/C=C/C(=O)c2cccc(-n3cc(-c4ccccc4C(F)(F)F)nn3)c2)ccc1O ZINC000071331775 JK Annotated Mild CC(C)(Oc1ccc2c(CCc3nc(-c4ccccc4Cl)oc3C(C)(C)C)noc2c1)C(=O)O ZINC000071331858 JK Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)CNCC3)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071332112 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CNCC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071332114 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CCNC3)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071332122 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CCNC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071332126 JK Annotated Clean N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccccc1 ZINC000071332373 JK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCc1ccccn1 ZINC000071333817 JK Annotated Mild O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071334240 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071334244 JK Annotated Clean CCCCN(CCCC)[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)O[C@H]1C ZINC000071334434 JK Annotated Mild CCc1cccc(NC(=O)N2CCc3nc(-c4ccc5c(c4)OCO5)nc(-c4ccccc4C)c3C2)c1 ZINC000071334440 JK Annotated Anodyne C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000071334455 JK Annotated Mild O=C(O)c1ccc(CN2C[C@@H]3CCC[C@H]2[C@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1 ZINC000071334496 JK Annotated Anodyne O=C(O)c1ccc(CN2C[C@@H]3CCC[C@H]2[C@@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1 ZINC000071334499 JK Annotated Anodyne C=C(c1c(-c2ccccc2OC)[nH]c2ccccc12)c1c(-c2ccccc2OC)[nH]c2ccccc12 ZINC000071334553 JK Annotated Anodyne Clc1ccc(CSc2cccc(N/C(=N/C3CCCCC3)NC3CCCCC3)c2)cc1 ZINC000071334582 JK Annotated Mild O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071334715 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CNC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071334720 JK Annotated Clean FC(F)(F)C1=NN=C(c2ccc(Cl)cc2)/C1=N/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071334836 JK Annotated Mild O=C(/C(=N\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000071334907 JK Annotated Mild O=C(c1ccc(-c2ccc3c(c2)CNCC3)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071334965 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CNCC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071334969 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CCNC3)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071340323 JK Annotated Clean O=C(c1ccc(-c2ccc3c(c2)CCNC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071340324 JK Annotated Clean CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1 ZINC000071340402 JK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(Br)ccc3c1C2=O ZINC000071340405 JK Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccc(Br)cc4ccc1n3C)C=CC(C)(C)O2 ZINC000071340461 JK Annotated Bother Cc1ccc(CN[C@H]2CC[C@H](OCC#Cc3c(-c4ccccc4)oc4ccccc34)O[C@H]2C)cc1 ZINC000071340475 JK Annotated Mild CC(C)c1oc(-c2ccccc2O)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12 ZINC000071340511 JK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O ZINC000071340656 JK Annotated Anodyne C#CC(C)(C)Oc1cc(O)c2c(=O)c3c4ccc(Br)cc4ccc3n3c2c1C(C)(C)C3=C ZINC000071340728 JK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCc1ccccc1 ZINC000071341015 JK Annotated Mild O=C(c1ccc(-c2cccc3c2CCNC3)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071341130 JK Annotated Clean O=C(c1ccc(-c2cccc3c2CCNC3)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071341131 JK Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(F)c3)C[C@H]2c2ccccc2O)s1 ZINC000071341143 JK Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(F)c3)C[C@@H]2c2ccccc2O)s1 ZINC000071341144 JK Annotated Clean O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 ZINC000071341480 JK Annotated Anodyne CCc1cccc(NC(=O)N2CCc3nc(-c4cnccc4C#N)nc(-c4ccccc4C)c3C2)c1 ZINC000071341512 JK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4cc(Br)ccc4cc1n3C)C=CC(C)(C)O2 ZINC000071341534 JK Annotated Bother NC1=C(c2nc(-c3ccccc3)no2)[C@@H](c2ccc(F)cc2)C2=C(O1)/C(=C/c1ccc(F)cc1)CCC2 ZINC000071341614 JK Annotated Anodyne NC1=C(c2nc(-c3ccccc3)no2)[C@H](c2ccc(F)cc2)C2=C(O1)/C(=C/c1ccc(F)cc1)CCC2 ZINC000071341615 JK Annotated Anodyne NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3c(O)cccc3F)s2)cc1 ZINC000071341619 JK Annotated Clean NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3c(O)cccc3F)s2)cc1 ZINC000071341620 JK Annotated Clean COc1ccc(CN[C@H]2CC[C@H](OCC#Cc3c(-c4ccccc4)oc4ccccc34)O[C@H]2C)cc1 ZINC000071341647 JK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)CC[C@@H]1NCc1ccc(O)cc1 ZINC000071341699 JK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)CC[C@@H]1NCc1ccccc1 ZINC000071341844 JK Annotated Mild CCCCN(CCCC)[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C ZINC000071341902 JK Annotated Mild N#Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Cl)ccc1-c1ccc(F)cc1 ZINC000071341919 JK Annotated Mild COc1cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc(OC)c1OC ZINC000071341964 JK Annotated Anodyne Cc1nc(C(=O)[C@@H](C)Oc2ccc(SCc3ccc(Cl)cc3)cc2)sc1CCCC(=O)O ZINC000071341980 JK Annotated Anodyne Cc1nc(C(=O)[C@H](C)Oc2ccc(SCc3ccc(Cl)cc3)cc2)sc1CCCC(=O)O ZINC000071341981 JK Annotated Anodyne COc1ccc(CN[C@H]2CC[C@H](OCC#Cc3c(-c4ccccc4)sc4ccccc34)O[C@H]2C)cc1 ZINC000071341984 JK Annotated Mild Cc1ccc(-c2nnc(CSC(SCc3nnc(-c4ccc(C)cc4)o3)=C(C#N)C#N)o2)cc1 ZINC000071388872 JK Annotated Reactive C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@H]12 ZINC000071404448 JK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCc1ccc(O)cc1 ZINC000071405089 JK Annotated Mild Cc1ccccc1/C=C1\CCCC2=C1OC(N)=C(c1nc(-c3ccccc3)no1)[C@@H]2c1ccccc1C ZINC000071410843 JK Annotated Anodyne Cc1ccccc1/C=C1\CCCC2=C1OC(N)=C(c1nc(-c3ccccc3)no1)[C@H]2c1ccccc1C ZINC000071410847 JK Annotated Anodyne O=C(/C=C/c1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccc(Cl)cc1)c1ccccc1 ZINC000071410945 JK Annotated Mild O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1cc(-c2cc(F)cc(F)c2)ccn1 ZINC000071418511 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]23[C@H](OCCC[C@@H]2/C(=C(/C)C=O)CC[C@]3(C)O)O1 ZINC000071577976 JK Annotated Reactive C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(=O)NCCCCCCCC ZINC000071721248 JK Annotated Mild C=C/C(Cl)=C(C(\Cl)=C/C)/c1c(=O)ncn2nc(Sc3ccc(F)cc3F)ccc12 ZINC000071927971 JK Annotated Anodyne in-vitro C=CC/N=C(\CCCC/C(=N\CC=C)C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O ZINC000071928366 JK Annotated Mild CC[C@@H](C)[C@H](NCc1ccc(OC)c(OC)c1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072100866 JK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccc(OC)c(OC)c1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072100867 JK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccc(OC)c(OC)c1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072100868 JK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccc(OC)c(OC)c1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072100869 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2nc3ccccc3s2)CC1)c1cccnc1 ZINC000072101208 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2nc3ccccc3s2)CC1)c1cccnc1 ZINC000072101210 JK Annotated Anodyne Cc1ccc(CN[C@@H](CCc2ccccc2)c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1 ZINC000072101231 JK Annotated Anodyne Cc1ccc(CN[C@H](CCc2ccccc2)c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1 ZINC000072101232 JK Annotated Anodyne CCOc1ccccc1CN/C(=N\O)c1cccnc1Oc1ccc2oc3ccccc3c2c1 ZINC000072101282 JK Annotated Mild COc1ccccc1CN[C@@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072101650 JK Annotated Anodyne COc1ccccc1CN[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072101651 JK Annotated Anodyne O/N=C(/c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCN(c2ccccc2)CC1 ZINC000072101885 JK Annotated Mild Fc1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072102329 JK Annotated Anodyne Fc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072102330 JK Annotated Anodyne Cc1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)c2ccccc2C)cc1 ZINC000072102757 JK Annotated Anodyne Cc1ccc(CN[C@@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)c2ccccc2C)cc1 ZINC000072102758 JK Annotated Anodyne Cc1cc(C(=O)N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C(C)(C)C)n1 ZINC000072103051 JK Annotated Anodyne Cc1cc(C(=O)N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C(C)(C)C)n1 ZINC000072103052 JK Annotated Anodyne CCOc1ccccc1-c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000072103092 JK Annotated Anodyne Clc1ccc([C@@H](NC2CCN(c3ccc(Br)cn3)CC2)c2cccnc2)cc1 ZINC000072103173 JK Annotated Anodyne Clc1ccc([C@H](NC2CCN(c3ccc(Br)cn3)CC2)c2cccnc2)cc1 ZINC000072103174 JK Annotated Anodyne CCCCCCCCCCOc1ccc(-c2nc(CN[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)co2)cc1 ZINC000072103461 JK Annotated Mild Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccc(C(F)(F)F)cc2F)CC1)c1cccnc1 ZINC000072103545 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccc(C(F)(F)F)cc2F)CC1)c1cccnc1 ZINC000072103546 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cccnc1 ZINC000072103722 JK Annotated Clean Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cccnc1 ZINC000072103724 JK Annotated Clean Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)[C@H]3C[C@@H]4CCN3C(=O)OCc3ccccc3)CC2)cc1 ZINC000072103947 JK Annotated Anodyne Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)cc1 ZINC000072103948 JK Annotated Anodyne Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(C3CCCCC3)nc12 ZINC000072104194 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2cccc(F)c2)cc1OC ZINC000072104198 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072104248 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072104249 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000072104250 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000072104251 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000072104281 JK Annotated Anodyne Oc1nc2ccccc2n1C1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1 ZINC000072104495 JK Annotated Anodyne Oc1nc2ccccc2n1C1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1 ZINC000072104496 JK Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072104522 JK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072104524 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072104625 JK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072104626 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072104627 JK Annotated Anodyne COc1ccc(CN2CCC(=O)[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c(OC)c1 ZINC000072105086 JK Annotated Anodyne COc1ccc(CN2CCC(=O)[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c(OC)c1 ZINC000072105087 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072105161 JK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072105162 JK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072105163 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072105164 JK Annotated Anodyne COc1ccccc1Cc1c(-c2cccc(Br)c2)nc2ccc(Br)cn12 ZINC000072105264 JK Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000072105335 JK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(CCC2CCCCC2)cc1CCC1CCCCC1 ZINC000072105460 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000072105534 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000072105535 JK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(Cl)cc2)cc1Cc1ccc(Cl)cc1 ZINC000072105563 JK Annotated Anodyne CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@H](CC)C(=O)O)cc1 ZINC000072105925 JK Annotated Anodyne CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@@H](CC)C(=O)O)cc1 ZINC000072105926 JK Annotated Anodyne CCCCCCCCc1cc(Cc2ccc(Cl)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072105951 JK Annotated Mild COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(Cl)cc2)cc1CCC1CCCCC1 ZINC000072105952 JK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2c(F)cccc2F)cc1Cc1c(F)cccc1F ZINC000072105965 JK Annotated Anodyne COc1ccc(-c2csc(Nc3cc4[nH]c(=O)cnc4cc3N(C)C3CCCCC3)n2)cc1 ZINC000072106044 JK Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCCCC1 ZINC000072106045 JK Annotated Anodyne CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 ZINC000072106071 JK Annotated Mild O=C1CCN(Cc2ccccc2C(F)(F)F)C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072106162 JK Annotated Anodyne O=C1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072106163 JK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(F)cc2Br)C1=O ZINC000072106169 JK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(F)cc2Br)C1=O ZINC000072106170 JK Annotated Anodyne CCCCCCCc1cc(Cc2ccc(Cl)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106278 JK Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 ZINC000072106366 JK Annotated Anodyne Cc1ccc(-c2ccc3c(c2)C[C@H](C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1 ZINC000072106410 JK Annotated Bother Cc1ccc(-c2ccc3c(c2)C[C@@H](C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1 ZINC000072106411 JK Annotated Bother CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccc(C#N)cc2)cs1)C1CCCCC1 ZINC000072106526 JK Annotated Mild CCCCCCCCc1cc(Cc2ccc(F)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106538 JK Annotated Mild CCCCCCc1cc(Cc2ccc(Br)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106539 JK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000072106592 JK Annotated Clean CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)Nc1cccc2ccccc12)C1CCCCC1 ZINC000072106600 JK Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2cccc3ccccc23)cs1)C1CCCCC1 ZINC000072106617 JK Annotated Anodyne CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 ZINC000072106644 JK Annotated Mild COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2cccc(F)c2)cc1Cc1cccc(F)c1 ZINC000072106794 JK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(F)cc2)cc1Cc1ccc(F)cc1 ZINC000072106983 JK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(F)cc2)cc1Cc1ccc(Cl)cc1 ZINC000072106985 JK Annotated Anodyne CCN(CC)CCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12 ZINC000072107056 JK Annotated Mild CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)Cc2ccccc2)C(=O)c2ccccc2C1=O ZINC000072107187 JK Annotated Mild CC(C)c1nc2cc(N(C)C3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]c1=O ZINC000072107220 JK Annotated Anodyne CC(C)Cc1nc2cc(N(C)C3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]c1=O ZINC000072107221 JK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1ccc(C(C)C)cc1C(C)C ZINC000072107316 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCC/C=C\CCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000072107368 JK Annotated Mild O=c1cnc2cc(N3CCN(c4ccc(F)cc4)CC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]1 ZINC000072107441 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)c1c(F)cccc1F ZINC000072107486 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)c1c(F)cccc1F ZINC000072107487 JK Annotated Anodyne CCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107612 JK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)C1CCCCCCC1 ZINC000072107724 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)C1CCCCCCC1 ZINC000072107725 JK Annotated Anodyne CCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107735 JK Annotated Mild N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NCCCN2CCOCC2)n2c1nc1ccccc12 ZINC000072107771 JK Annotated Mild C#C/C=C\[C@@H](O)CCCCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000072107848 JK Annotated Mild CN(C)C(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107860 JK Annotated Anodyne CN(C)C(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107861 JK Annotated Anodyne CN(c1cc2c(cc1Nc1nc(-c3ccccc3)cs1)NC(=O)[C@H]1CCCCN21)C1CCCCC1 ZINC000072107901 JK Annotated Anodyne CN(c1cc2c(cc1Nc1nc(-c3ccccc3)cs1)NC(=O)[C@@H]1CCCCN21)C1CCCCC1 ZINC000072107902 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCC/C=C\CCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000072108041 JK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1ccccc1C1CCCCC1 ZINC000072108204 JK Annotated Anodyne CCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108223 JK Annotated Anodyne CCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108224 JK Annotated Anodyne CN(c1cc2c(cc1Nc1nc(-c3ccccc3)cs1)[nH]c(=O)c1cccn12)C1CCCCC1 ZINC000072108467 JK Annotated Anodyne N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NCCN2CCCCC2)n2c1nc1ccccc12 ZINC000072108613 JK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)C1CCCC1 ZINC000072108701 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)C1CCCC1 ZINC000072108702 JK Annotated Anodyne N#Cc1ccc(-c2cc(COc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)n[nH]2)cc1 ZINC000072108844 JK Annotated Mild COc1ccc2c(Nc3ccc(/C(C)=N/OCCN(C)C)cc3)c3c(Cl)coc3nc2c1 ZINC000072108937 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4cc[n+]([O-])cc4)[nH]n3)ccc2Cl)c1 ZINC000072108971 JK Annotated Mild Cc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1-c1ccc2[nH]c3c(c(=O)c2c1)CSCC3 ZINC000072108978 JK Annotated Anodyne O=c1c2c([nH]c3ccc(-c4ccc(COc5ccc(OC(F)(F)F)cc5)cc4)cc13)CCSC2 ZINC000072108979 JK Annotated Anodyne CCN(CC)CCCNc1cc(-c2cccc(C(F)(F)F)c2)c(C#N)c2nc3ccccc3n12 ZINC000072109011 JK Annotated Mild CCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109080 JK Annotated Mild CCN(CC)CCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12 ZINC000072109175 JK Annotated Mild CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3[C@]1(C)C(=O)O ZINC000072109358 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccc(C)cc1 ZINC000072109656 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccc(C)cc1 ZINC000072109657 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 ZINC000072109658 JK Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 ZINC000072109659 JK Annotated Bother COc1ccc2c(Nc3ccc(/C(C)=N/OCCN4CCCCC4)cc3)c3ccoc3nc2c1 ZINC000072109665 JK Annotated Mild C/C(=N\OCCN1CCOCC1)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 ZINC000072109669 JK Annotated Mild COc1ccc(-c2noc(COc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)n2)cc1 ZINC000072109690 JK Annotated Mild CCNCCN(CC)c1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12 ZINC000072109693 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c(-c4ccccn4)c3Cl)ccc2Cl)c1 ZINC000072109710 JK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1c(F)cccc1F ZINC000072109737 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1c(F)cccc1F ZINC000072109738 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1ccc(C)cc1 ZINC000072109739 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1ccc(C)cc1 ZINC000072109740 JK Annotated Anodyne CCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109751 JK Annotated Anodyne CCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109752 JK Annotated Anodyne CCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109753 JK Annotated Anodyne CCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109754 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3ncc(-c4ccc(Cl)cc4)o3)ccc2Cl)c1 ZINC000072109772 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c(-c4ccncc4)c3Cl)ccc2Cl)c1 ZINC000072109792 JK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccccc1C ZINC000072109820 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccccc1C ZINC000072109821 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)c1c(F)cccc1F ZINC000072109822 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)c1c(F)cccc1F ZINC000072109823 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)C1CCCCCCC1 ZINC000072109891 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)C1CCCCCCC1 ZINC000072109892 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1ccccc1C ZINC000072109893 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1ccccc1C ZINC000072109894 JK Annotated Anodyne COc1ccc(-c2nnc(COc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)o2)cc1 ZINC000072109928 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3nc(-c4ccc(Cl)cc4)no3)ccc2Cl)c1 ZINC000072109929 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3nnc(-c4ccc(Cl)cc4)o3)ccc2Cl)c1 ZINC000072109930 JK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)C1CCCCCCC1 ZINC000072109973 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)C1CCCCCCC1 ZINC000072109974 JK Annotated Anodyne COc1ccc2c(Nc3ccc(/C(C)=N/OCCCN(C)C)cc3)c3c(Cl)coc3nc2c1 ZINC000072109987 JK Annotated Mild O=c1c2c([nH]c3cc(-c4ccc(Oc5ccc(OC(F)(F)F)cc5)cc4)ccc13)CCCC2 ZINC000072110067 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)C1CCCCC1 ZINC000072110127 JK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)C1CCCCC1 ZINC000072110128 JK Annotated Anodyne COc1ccc2c(Nc3ccc(/C(C)=N/OCCN4CCCCC4)cc3)c3c(Cl)coc3nc2c1 ZINC000072110135 JK Annotated Mild CC[C@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072110190 JK Annotated Anodyne CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072110191 JK Annotated Anodyne CN(c1cc2c(cc1Nc1nc(-c3ccccc3)cs1)NC(=O)CS2)C1CCCCC1 ZINC000072110898 JK Annotated Anodyne CCCCCCCCn1cc[n+](C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 ZINC000072111399 JK Annotated Mild CCCCCCCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072111449 JK Annotated Mild CCCCCCn1cc[n+](C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 ZINC000072111518 JK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)c4cnccn4)cc3)o2)cc1)c1cnccn1 ZINC000072112088 JK Annotated Anodyne COc1cc2[nH]c3c4c(c(C=O)cc3c2cc1Br)OC(C)(C)[C@H](Br)C4 ZINC000072112131 JK Annotated Reactive COc1cc2[nH]c3c4c(c(C=O)cc3c2cc1Br)OC(C)(C)[C@@H](Br)C4 ZINC000072112132 JK Annotated Reactive Cc1c(C)c2c(c(-c3cc(-c4c(O)c(C)c(C)c5c4CCC(C)(C)O5)on3)c1O)CCC(C)(C)O2 ZINC000072112606 JK Annotated Anodyne COc1cccc(CN2c3nccc[n+]3C[C@@]2(O)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000072112742 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113147 JK Annotated Anodyne CC(=O)NCCCCCCNCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O ZINC000072113204 JK Annotated Anodyne CCCCOC(=O)C[C@H]1C(C(=O)OCCCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072113370 JK Annotated Anodyne CCCCOC(=O)C[C@@H]1C(C(=O)OCCCC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072113371 JK Annotated Anodyne Cc1ccc(-n2cc(C(=O)O)c(=O)c3c(O)c(Cc4cccc(Cl)c4F)ccc32)cc1C ZINC000072113410 JK Annotated Anodyne CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000072113452 JK Annotated Mild O=C(O)c1cn(Cc2ccc(F)c(F)c2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O ZINC000072113483 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113505 JK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(-c3c(O)c(C)c(C)c4c3CCC(C)(C)O4)on1)O2 ZINC000072113584 JK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(-c3c(O)c(C)c(C)c4c3CCC(C)(C)O4)on1)O2 ZINC000072113585 JK Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4c(c3)-c3ccccc3-4)cc21 ZINC000072113640 JK Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4c(c3)-c3ccccc3-4)cc21 ZINC000072113641 JK Annotated Anodyne COc1cc(-c2cn(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn2)ccc1-n1cnc(C)c1 ZINC000072113727 JK Annotated Anodyne COc1cc(-c2cn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)ccc1-n1cnc(C)c1 ZINC000072114298 JK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCCCC3)n2)cc1C(F)(F)F ZINC000072114535 JK Annotated Mild CC(C)(C)c1ccc([C@H](CC(=O)O)Cc2nc3cc(I)ccc3[nH]2)cc1 ZINC000072114559 JK Annotated Anodyne CC(C)(C)c1ccc([C@@H](CC(=O)O)Cc2nc3cc(I)ccc3[nH]2)cc1 ZINC000072114560 JK Annotated Anodyne Clc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nc3ccccc3s2)cc1 ZINC000072114643 JK Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)Oc3ccc(C(C)C)cc3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072114884 JK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nc3ccccc3s2)cc1 ZINC000072114951 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072115052 JK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072115067 JK Annotated Anodyne O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccccc1Br ZINC000072116167 JK Annotated Anodyne Cc1nnc(Sc2c(-c3ccc(Br)cc3)nc3ccccc3c2-c2ccccc2)s1 ZINC000072116261 JK Annotated Anodyne Cc1cccc(Nc2nc(-c3ccncc3-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)cs2)c1 ZINC000072116283 JK Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)Oc1ccc(-c2cc(=S)ss2)cc1 ZINC000072116308 JK Annotated Anodyne Cc1nnc(Sc2c(-c3ccc4ccccc4c3)nc3ccccc3c2-c2ccccc2)s1 ZINC000072116313 JK Annotated Anodyne c1ccc(-c2c(Sc3nc4ccccc4s3)c(-c3ccc4ccccc4c3)nc3ccccc23)cc1 ZINC000072116569 JK Annotated Anodyne c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnnn2-c2ccccc2)cc1 ZINC000072116571 JK Annotated Anodyne CCN(CC)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](n3ccnn3)[C@@H]2OC(C)=O)C1 ZINC000072116576 JK Annotated Anodyne CN1CCN(c2ccc(/C=C/c3cccc(/C=C/c4ccc(N5CCN(C)CC5)cc4)c3)cc2)CC1 ZINC000072116671 JK Annotated Clean CCc1cc(=O)c2ccc(SC(C)C)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116737 JK Annotated Anodyne CCc1cc(=O)c2ccc(SC(C)C)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116738 JK Annotated Anodyne C=CCC1=C(O[C@@]2(CC=C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072116745 JK Annotated Mild C=CCC1=C(O[C@]2(CC=C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072116746 JK Annotated Mild CC(C)(C)c1ccc(OC(=O)CCc2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)nn3)n2)cc1 ZINC000072116770 JK Annotated Anodyne CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccc(C)cc1)N(CCCN)C(=O)c1ccc(C)cc1 ZINC000072116896 JK Annotated Anodyne CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccc(C)cc1)N(CCCN)C(=O)c1ccc(C)cc1 ZINC000072116897 JK Annotated Anodyne O=C1OCC(Nc2cc(Br)cc(Br)c2)=C1c1cccc(Br)c1 ZINC000072116919 JK Annotated Anodyne Cc1ccccc1Sc1nc(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N ZINC000072116958 JK Annotated Mild C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@@](CCO)(c2ccc(F)cc2)OC1=O ZINC000072116976 JK Annotated Anodyne C[C@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O ZINC000072116977 JK Annotated Anodyne O=S(=O)(CC1=NCCS1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(Cl)cc1 ZINC000072117054 JK Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)Oc3ccc(C(C)C)cc3)nn2-c2ccc3ccccc3n2)cc1 ZINC000072118020 JK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnnn2-c2ccccc2)cc1 ZINC000072118075 JK Annotated Anodyne Clc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnnn2-c2ccccc2)cc1 ZINC000072118076 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 ZINC000072118087 JK Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 ZINC000072118088 JK Annotated Bother Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 ZINC000072118094 JK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 ZINC000072118095 JK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 ZINC000072118096 JK Annotated Bother Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 ZINC000072118097 JK Annotated Bother COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnnn2-c2ccccc2)cc1 ZINC000072118236 JK Annotated Anodyne O=C1OCC(Nc2cc(Br)cc(Br)c2)=C1c1ccc(Br)cc1 ZINC000072118286 JK Annotated Anodyne CCOC(=O)C1CCN(C(=O)CCc2cc(-c3ccc(C)cc3)n(-c3ccc4ccccc4n3)n2)CC1 ZINC000072118303 JK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 ZINC000072118340 JK Annotated Bother Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 ZINC000072118341 JK Annotated Bother COC(C)(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C ZINC000072118406 JK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C ZINC000072118407 JK Annotated Anodyne COC(C)(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000072118496 JK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)ccc2ccccc12 ZINC000072118591 JK Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1[N+](=O)[O-])c1c(O)ccc2ccccc12 ZINC000072118592 JK Annotated Bother CC(C)n1cc(OC(=O)C(C)(C)C)nc1N/C(=N\C(=O)C(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072118662 JK Annotated Mild CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCCN)C(=O)c1ccc(C)cc1 ZINC000072118840 JK Annotated Anodyne CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCCN)C(=O)c1ccc(C)cc1 ZINC000072118841 JK Annotated Anodyne O=C(O)C[C@H](Cc1nc2cc(I)ccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072118945 JK Annotated Anodyne O=C(O)C[C@@H](Cc1nc2cc(I)ccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072118946 JK Annotated Anodyne N#Cc1c(Nc2ccccc2C(F)(F)F)nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000072118978 JK Annotated Mild Cc1ccc(Sc2nc(SCc3ccc(Cl)cc3)nc(-c3ccccc3)c2C#N)cc1 ZINC000072119016 JK Annotated Mild Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 ZINC000072119634 JK Annotated Anodyne Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 ZINC000072119635 JK Annotated Anodyne O=S(=O)(c1ccccc1)c1cnc2nc3ccccc3n2c1-c1ccc(Br)cc1 ZINC000072119647 JK Annotated Anodyne N#Cc1c(Nc2cccc(C(F)(F)F)c2)nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000072119676 JK Annotated Mild N#Cc1c(Nc2ccc(C(F)(F)F)cc2)nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000072119677 JK Annotated Mild Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 ZINC000072119689 JK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 ZINC000072119690 JK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C ZINC000072119878 JK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C ZINC000072119912 JK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000072119943 JK Annotated Anodyne O=S(=O)(CC1=NCCS1)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000072120132 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2ncnn2-c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000072120408 JK Annotated Anodyne O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Br ZINC000072120409 JK Annotated Anodyne COc1cc(N2C(=O)[C@H](c3ccccc3)C2(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000072120449 JK Annotated Anodyne COc1cc(N2C(=O)[C@@H](c3ccccc3)C2(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000072120450 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000072120594 JK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(Cl)c2)cc1OC ZINC000072121999 JK Annotated Anodyne CC(C)=C[C@@H]1C=C([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000072123164 JK Annotated Anodyne in-vitro COc1ccc(-c2nc3ccc(Br)cn3c2Nc2c(C)cccc2C)cc1OC ZINC000072123317 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(-c3cncs3)cc2)n1-c1ccc(C(N)=O)cc1C ZINC000072124281 JK Annotated Clean FC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12 ZINC000072124415 JK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2ccc(/N=C/c3ccccc3)cc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072124457 JK Annotated Mild Cc1cc(S(=O)(=O)Nc2ccc(/N=C/c3ccccc3O)cc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072124626 JK Annotated Mild Cc1cc(S(=O)(=O)Nc2ccc(/N=C/c3cccs3)cc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072124627 JK Annotated Mild N#Cc1c(C(F)(F)F)ccc2c1Oc1c(cccc1OS(=O)(=O)CCCC(F)(F)F)C2 ZINC000072124698 JK Annotated Mild O=CCCCCCCCC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1 ZINC000072124882 JK Annotated Mild CC(C)C(=O)[C@]1(O)C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000072124895 JK Annotated Anodyne in-vitro CC(C)C(=O)[C@@]1(O)C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000072124896 JK Annotated Anodyne in-vitro CC(C)C(=O)[C@]1(O)C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000072124897 JK Annotated Anodyne in-vitro CC(C)C(=O)[C@@]1(O)C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000072124898 JK Annotated Anodyne in-vitro O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCC#Cc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000072124995 JK Annotated Mild N#Cc1c(C(F)(F)F)ccc2c1oc1cccc(OS(=O)(=O)CCCC(F)(F)F)c12 ZINC000072125047 JK Annotated Mild N#Cc1c(C(F)(F)F)ccc2c1oc1ccc(OS(=O)(=O)CCCC(F)(F)F)cc12 ZINC000072125048 JK Annotated Mild N#Cc1c(C(F)(F)F)ccc2c1oc1cc(OS(=O)(=O)CCCC(F)(F)F)ccc12 ZINC000072125056 JK Annotated Mild O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000072125118 JK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)cn3c2Nc2c(C)cccc2C)c(OC)c1 ZINC000072125139 JK Annotated Anodyne CCC(CC)(c1ccc(OCC(CO)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000072125910 JK Annotated Anodyne COC(=O)[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000072126027 JK Annotated Anodyne in-vitro CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)CCO)c(C)c1 ZINC000072126052 JK Annotated Anodyne CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)CCO)c(C)c1 ZINC000072126171 JK Annotated Anodyne Brc1ccc2c(-c3nsc(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 ZINC000072126252 JK Annotated Anodyne Brc1ccc2[nH]cc(-c3nsc(-c4c[nH]c5ccc(Br)cc45)n3)c2c1 ZINC000072126261 JK Annotated Anodyne CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ccc([N+](=O)[O-])cc4C#N)cc-3oc2c1 ZINC000072126875 JK Annotated Mild CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ccc([N+](=O)[O-])cc4Cl)cc-3oc2c1 ZINC000072126888 JK Annotated Bother C[C@@H](NCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127605 JK Annotated Anodyne O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3ccccc3c2=O)c1 ZINC000072127820 JK Annotated Anodyne C[C@@H]([C@@H]1O[C@@H]1[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000072127903 JK Annotated Anodyne in-vitro C(=C/c1ccccc1)\CN1CCN([C@@H](c2cccc3ccccc23)c2nnnn2C2CCCC2)CC1 ZINC000072133452 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cccc3ccccc23)c2nnnn2C2CCCC2)CC1 ZINC000072133453 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072133462 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072133463 JK Annotated Anodyne O=C(c1cc(-c2ccccc2)on1)N(Cc1cccnc1)[C@@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000072134891 JK Annotated Anodyne O=C(c1cc(-c2ccccc2)on1)N(Cc1cccnc1)[C@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000072134892 JK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@@H]3CCN2C(=S)NCCc2ccccc2)cc1 ZINC000072134941 JK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@@H]2C[C@H]3CCN2C(=S)NCCc2ccccc2)cc1 ZINC000072134942 JK Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(C(C)C)cc3)cccc2O1 ZINC000072135000 JK Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(C(C)C)cc3)cccc2O1 ZINC000072135001 JK Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccccc2C)[C@H]1c1ccc(Cl)cc1 ZINC000072135010 JK Annotated Anodyne COc1ccccc1Cc1c(-c2cccc(Br)c2)nc2c(C)cc(Br)cn12 ZINC000072135037 JK Annotated Anodyne COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccc(C)cc2)cc1OC ZINC000072135753 JK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3CCCC3)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000072135762 JK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3CCCC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000072135763 JK Annotated Anodyne COc1ccc(NC(=S)N2CC[C@H]3C[C@@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)c(OC)c1 ZINC000072135813 JK Annotated Anodyne COc1ccc(NC(=S)N2CC[C@@H]3C[C@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)c(OC)c1 ZINC000072135814 JK Annotated Anodyne O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072136108 JK Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072136145 JK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072136147 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 ZINC000072136189 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 ZINC000072136190 JK Annotated Anodyne CC(C)C[C@@H](c1nc2ccccc2[nH]1)n1c(-c2ccccc2Br)nc2ccccc21 ZINC000072136211 JK Annotated Anodyne CC(C)C[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccccc2Br)nc2ccccc21 ZINC000072136212 JK Annotated Anodyne O=C(C[C@@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000072136501 JK Annotated Anodyne O=C(C[C@@H]1C(=O)N(CCc2ccccc2)C[C@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000072136502 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000072136503 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000072136645 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000072136646 JK Annotated Anodyne CCCCCCN1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136888 JK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2-c2ccco2)C=C[C@@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000072136896 JK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2-c2ccco2)C=C[C@@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000072136897 JK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccc(F)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000072137498 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000072137529 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000072137530 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccnc3ccccc23)c2nnnn2C2CCCCC2)CC1 ZINC000072137549 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2ccnc3ccccc23)c2nnnn2C2CCCCC2)CC1 ZINC000072137550 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccc(C)cc2)cc1OC ZINC000072137568 JK Annotated Anodyne Cc1cc(Br)cn2c(Cc3cccc(F)c3)c(-c3cccc(Br)c3)nc12 ZINC000072137583 JK Annotated Anodyne CCN(CC)c1ccccc1/C=C/[n+]1ccc(CCCCI)c2ccccc21 ZINC000072137764 JK Annotated Reactive COc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000072137785 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(Cc2ccccc2)C[C@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000072137889 JK Annotated Anodyne O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C[C@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000072137890 JK Annotated Anodyne O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000072137891 JK Annotated Anodyne Clc1cccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)c1 ZINC000072138261 JK Annotated Anodyne CCCCn1nnnc1[C@@H](c1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072138360 JK Annotated Anodyne CCCCn1nnnc1[C@H](c1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072138361 JK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000072138373 JK Annotated Anodyne CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000072138437 JK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2ccc(Br)cn12 ZINC000072138473 JK Annotated Anodyne O=C(C1CCCCC1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000072138586 JK Annotated Anodyne COc1cc(CCN(C(=O)c2cc3ccccc3[nH]2)[C@@H](C)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000072138610 JK Annotated Anodyne COc1cc(CCN(C(=O)c2cc3ccccc3[nH]2)[C@H](C)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000072138611 JK Annotated Anodyne Fc1cccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)c1 ZINC000072138612 JK Annotated Anodyne CC(C)C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072138650 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000072139212 JK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000072139213 JK Annotated Anodyne COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(F)c2)cc1OC ZINC000072139503 JK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072139515 JK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072139516 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2cc(Br)ccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072139517 JK Annotated Anodyne Cc1cc2nc(-c3cccc(Br)c3)c(CC(C)(C)C)n2c(C)c1Br ZINC000072139613 JK Annotated Anodyne O=C(C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@H]1Cc1ccccc1)Nc1ccccc1 ZINC000072139668 JK Annotated Anodyne O=C(C[C@@H]1C(=O)N(c2ccc(Br)cc2)C[C@H]1Cc1ccccc1)Nc1ccccc1 ZINC000072139669 JK Annotated Anodyne O=C(C[C@@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1 ZINC000072139670 JK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(C)cc3)cccc2O1 ZINC000072139721 JK Annotated Mild C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(C)cc3)cccc2O1 ZINC000072139722 JK Annotated Mild O=C(CSc1ncccn1)N(Cc1cccnc1)[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000072139810 JK Annotated Anodyne O=C(CSc1ncccn1)N(Cc1cccnc1)[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000072139811 JK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)c(C)c1 ZINC000072139841 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccc(OC)cc3C)n2c1 ZINC000072139851 JK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Cl)c3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000072139964 JK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139974 JK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139975 JK Annotated Anodyne Cc1cc2nc(-c3cccc(Br)c3)c(Cc3ccccc3)n2c(C)c1Br ZINC000072139977 JK Annotated Anodyne Oc1nc2ccccc2n1C1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1 ZINC000072140801 JK Annotated Anodyne Oc1nc2ccccc2n1C1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1 ZINC000072140802 JK Annotated Anodyne Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCN[C@@H](C)C2)c2cnc(O)cc2n1C1CCCCC1 ZINC000072140825 JK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2cccc(Cl)c2)cc1OC ZINC000072141162 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](CCc2ccccc2)c2nnnn2C2CCCCC2)CC1 ZINC000072141163 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](CCc2ccccc2)c2nnnn2C2CCCCC2)CC1 ZINC000072141164 JK Annotated Anodyne CC1=Nc2ccc(I)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 ZINC000072141181 JK Annotated Anodyne CC1=Nc2ccc(I)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 ZINC000072141182 JK Annotated Anodyne N#Cc1c(C(F)(F)F)ccc2c1oc1c(OS(=O)(=O)CCCC(F)(F)F)cccc12 ZINC000072141268 JK Annotated Mild CCc1cccc2c(C(O)(c3c[nH]c4c(CC)cccc34)c3c[nH]c4c(CC)cccc34)c[nH]c12 ZINC000072141286 JK Annotated Anodyne CC(C)C[C@H](NCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072141384 JK Annotated Anodyne CC(C)C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072141385 JK Annotated Anodyne FC(F)(F)c1ccccc1Cc1c(-c2cccc(Br)c2)nc2c3ccccc3ccn12 ZINC000072141409 JK Annotated Anodyne CN1OC[C@@H]2CN(C(=O)c3cccc4ccccc34)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000072141722 JK Annotated Anodyne COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000072141800 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2cccc(F)c2)cc1OC ZINC000072142216 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000072142286 JK Annotated Mild COc1ccc([C@]2(c3ccccc3)[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072142610 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072142611 JK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072142612 JK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072142613 JK Annotated Anodyne Cc1ccc(Cn2cc(C(=O)O)c(=O)c3c(O)c(Cc4cccc(Cl)c4F)ccc32)cc1 ZINC000072142723 JK Annotated Anodyne CCN(CC)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](n3cncn3)[C@@H]2OC(C)=O)C1 ZINC000072142805 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccccc2C(F)(F)F)CC1)c1cccnc1 ZINC000072142853 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccccc2C(F)(F)F)CC1)c1cccnc1 ZINC000072142854 JK Annotated Anodyne C[C@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@@](CCO)(c2ccc(F)cc2)OC1=O ZINC000072142922 JK Annotated Anodyne COC(=O)c1sc(-c2ccc(Cl)c(Cl)c2)nc1C(Br)Br ZINC000072170919 JK Annotated Reactive Brc1ccc(-c2ccc(/C=C/c3ccc(I)cc3)s2)s1 ZINC000072171024 JK Annotated Anodyne COC(=O)c1sc(-c2ccccc2Br)nc1C(Br)Br ZINC000072171791 JK Annotated Reactive COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@H](c2ccccc2)C(=O)[C@@H]1c1ccccc1 ZINC000072171792 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H](c2ccccc2C)N1N=O ZINC000072171831 JK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H](c2ccccc2OC)N1N=O ZINC000072171835 JK Annotated Anodyne N#CN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072171873 JK Annotated Anodyne N#CN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072171874 JK Annotated Anodyne N#CN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072171875 JK Annotated Anodyne N#CN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072171876 JK Annotated Anodyne COC(=O)c1sc(-c2ccc(Br)cc2)nc1C(Br)Br ZINC000072171880 JK Annotated Reactive O=C1[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000072171917 JK Annotated Anodyne O=C1[C@@H](c2ccccc2)[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1c1ccccc1 ZINC000072171925 JK Annotated Anodyne N#CN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000072171979 JK Annotated Anodyne N#CN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000072171980 JK Annotated Anodyne N#CN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1Cl ZINC000072171981 JK Annotated Anodyne N#CN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1Cl ZINC000072171982 JK Annotated Anodyne Cc1ccccc1[C@@H]1[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H](c2ccccc2C)N1C#N ZINC000072171983 JK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@H](c3ccccc3)[C@H](c3ccc(C)cc3)N2N=O)cc1 ZINC000072172242 JK Annotated Anodyne COC(=O)c1sc(-c2cccc(Br)c2)nc1C(Br)Br ZINC000072172257 JK Annotated Reactive COc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)[C@H](c3ccccc3)[C@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000072173015 JK Annotated Anodyne COc1cc(-c2ccc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072173025 JK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@H]1Nc1ccccc12 ZINC000072173412 JK Annotated Anodyne COc1cc(-c2cc(C(F)(F)F)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072173545 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 ZINC000072174865 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 ZINC000072174866 JK Annotated Anodyne COc1cc(-c2cc(-c3c[nH]c4cc(F)ccc34)nc(N)c2C#N)cc(Br)c1OC ZINC000072175143 JK Annotated Mild C#CCn1c(C)c(C2(c3c(C)n(CC#C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21 ZINC000072175406 JK Annotated Mild COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072175449 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072175450 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000072175451 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000072175452 JK Annotated Anodyne Cc1ccc(C2OOC(c3ccc(CNc4cc(Cl)c(Cl)cc4Cl)cc3)OO2)cc1 ZINC000072175460 JK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000072175474 JK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000072175475 JK Annotated Anodyne C#CCN1C(=O)C(c2cn(CC#C)c3ccccc23)(c2cn(CC#C)c3ccccc23)c2ccccc21 ZINC000072175486 JK Annotated Mild CC(C)(C)c1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 ZINC000072175501 JK Annotated Anodyne Brc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 ZINC000072175674 JK Annotated Anodyne O=S(=O)(/N=C(\O)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1)c1ccccc1 ZINC000072175686 JK Annotated Mild O=S(=O)(/N=C(\O)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1)c1ccccc1 ZINC000072175687 JK Annotated Mild COc1cc(-c2cc(-c3cn(C)c4ccccc34)nc(N)c2C#N)cc(Br)c1OC ZINC000072175726 JK Annotated Mild O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccc(Br)cc1 ZINC000072175741 JK Annotated Clean Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2ncnc32)n(C)n(-c2ccccc2)c1=O ZINC000072175781 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072175786 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072175787 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccccc3)[C@H]1C2 ZINC000072175788 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072175789 JK Annotated Anodyne COc1cc2c(-c3cc(-c4ccc(F)cc4Cl)c(C#N)c(N)n3)c[nH]c2c(OC)c1OC ZINC000072175809 JK Annotated Mild COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072176034 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072176035 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@H](c3ccccc3)[C@H]1C2 ZINC000072176036 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072176037 JK Annotated Anodyne O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccccc1Br ZINC000072176071 JK Annotated Clean COc1cc2c(-c3cc(-c4ccc(F)cc4Cl)c(C#N)c(N)n3)cn(C)c2c(OC)c1OC ZINC000072176282 JK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccccc3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072176397 JK Annotated Mild COC(=O)c1cc2cc(/C=C/C(=O)c3ccccc3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072176398 JK Annotated Mild Cc1ccc(N(Cc2cc(Br)cc(Br)c2O)C(=O)Nc2ccccc2)cc1 ZINC000072176460 JK Annotated Clean COc1cc2c(-c3cc(-c4cccc(Cl)c4Cl)c(C#N)c(N)n3)c[nH]c2c(OC)c1OC ZINC000072176489 JK Annotated Mild COc1ccc2c(c1)CCc1ccc(OC)c(c1)-c1cc(ccc1OC)CCc1ccc-2c(OC)c1 ZINC000072176514 JK Annotated Anodyne COc1cc(-c2cc(-c3cn(C)c4ccc(F)cc34)nc(N)c2C#N)cc(Br)c1OC ZINC000072176601 JK Annotated Mild C=CCn1cc(C2(c3cn(CC=C)c4ccccc34)C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000072176675 JK Annotated Mild COc1cc(-c2cc(-c3c[nH]c4ccc(F)cc34)nc(N)c2C#N)cc(Br)c1OC ZINC000072176933 JK Annotated Mild O=C(CCl)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072177103 JK Annotated Reactive O=C(/C=C/c1ccc(OCc2cc(Cl)ccc2Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000072177179 JK Annotated Mild Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(N)ncnc32)n(C)n(-c2ccccc2)c1=O ZINC000072177276 JK Annotated Anodyne Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(Cl)ncnc32)n(C)n(-c2ccccc2)c1=O ZINC000072177279 JK Annotated Anodyne COC(=O)c1cc2cc(/C=C/C(=O)c3ccc(C)cc3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072177301 JK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3cccs3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072177306 JK Annotated Mild COC(=O)c1cc2cc(/C=C/C(=O)c3cccs3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072177307 JK Annotated Mild Cc1nc2c(c(-c3ccccc3)c(-c3ccccc3)n2-c2c(C)c(=O)n(-c3ccccc3)n2C)c(=O)[nH]1 ZINC000072177362 JK Annotated Anodyne C[C@@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177477 JK Annotated Anodyne C[C@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177478 JK Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177479 JK Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177480 JK Annotated Anodyne C[C@@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177481 JK Annotated Anodyne C[C@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177482 JK Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177483 JK Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177484 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072177510 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072177511 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072177512 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072177513 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccncc3)[C@@H]1C2 ZINC000072177604 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccncc3)[C@@H]1C2 ZINC000072177605 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccncc3)[C@H]1C2 ZINC000072177606 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccncc3)[C@H]1C2 ZINC000072177607 JK Annotated Anodyne CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(C)cc3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072178013 JK Annotated Mild CC(=O)c1cc2cc(/C=C/C(=O)c3ccc(C)cc3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072178014 JK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)N(/N=N/c2cccc(F)c2)c2cccc(F)c2)cc1OC(C)=O ZINC000072178122 JK Annotated Reactive Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(=S)[nH]cnc32)n(C)n(-c2ccccc2)c1=O ZINC000072178146 JK Annotated Anodyne O=C(c1ccccc1F)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072178196 JK Annotated Reactive O=C(c1cccc(F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072178201 JK Annotated Reactive Cc1[nH]c(CN(C)C)c(Cl)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072178226 JK Annotated Anodyne CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccco3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072178265 JK Annotated Mild O=C(c1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072178341 JK Annotated Reactive CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072178342 JK Annotated Reactive Cc1[nH]c(CN2CCOCC2)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000072178440 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000072178463 JK Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000072178464 JK Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000072178465 JK Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000072178466 JK Annotated Anodyne O=C(/C=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(-n2ccnc2)cc1 ZINC000072178553 JK Annotated Mild Cc1[nH]c(CN2CCOCC2)c(Cl)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072178602 JK Annotated Anodyne Cc1[nH]c(C(=O)N(C)C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000072178610 JK Annotated Anodyne O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000072178706 JK Annotated Mild O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc(OCc2cc(Cl)ccc2Cl)cc1 ZINC000072178707 JK Annotated Mild CC(C)N(CCOc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1)C(C)C ZINC000072178792 JK Annotated Clean CC(C)N(CCOc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1)C(C)C ZINC000072178793 JK Annotated Clean O=C(N[C@@H](c1ccc(Cl)c(-c2ccccc2)c1)C1CCNCC1)c1ccc2cnccc2c1 ZINC000072178825 JK Annotated Anodyne O=C(N[C@H](c1ccc(Cl)c(-c2ccccc2)c1)C1CCNCC1)c1ccc2cnccc2c1 ZINC000072178826 JK Annotated Anodyne O=C(/C=C/c1ccc(-n2ccnc2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000072178893 JK Annotated Mild O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000072178894 JK Annotated Mild Cc1[nH]c(CN2CCCC2)c(Cl)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072179027 JK Annotated Anodyne CC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1-c1c(C)c(=O)n(-c2ccccc2)n1C ZINC000072179033 JK Annotated Mild CC(=O)O[C@H](/C=C(\C)CC[C@@H](OC(C)=O)[C@]1(C)CCC(=O)O1)C/C(C)=C/CCc1ccoc1 ZINC000072179217 JK Annotated Anodyne CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCN(c4ccccn4)CC3)n12 ZINC000072179368 JK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3C1 ZINC000072179458 JK Annotated Anodyne in-vitro Cc1[nH]c(CN(C)C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000072179748 JK Annotated Anodyne Cc1[nH]c(CN2CCCC2)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000072179749 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]2CC[C@]13C ZINC000072179818 JK Annotated Mild in-vitro CC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]2O[C@@H](c3ccc(O)cc3)OC[C@]21C ZINC000072179932 JK Annotated Anodyne O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3ccsc3)nn2)c1 ZINC000072180176 JK Annotated Anodyne CC[C@@H](C)[C@H](NCc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072180219 JK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072180220 JK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072180221 JK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccc(OC)c(OC)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072180222 JK Annotated Anodyne CCOc1ccccc1N(Cc1ccccc1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072180588 JK Annotated Anodyne O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(-c2nnn(Cc3cccc(Cl)c3)n2)c1 ZINC000072180664 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000072180747 JK Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000072180748 JK Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000072180749 JK Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000072180750 JK Annotated Anodyne CC1CCN(CC(C)(C)NC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CC1 ZINC000072180896 JK Annotated Anodyne CC1CCN(CC(C)(C)NC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CC1 ZINC000072180897 JK Annotated Anodyne Cc1ccc(/C(=N/O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c(Oc2ccc(Cl)cc2-c2ccno2)n1 ZINC000072180924 JK Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2C[C@H](C)CC(C)(C)C2)c(Oc2ccc(Cl)cc2-c2ccno2)n1 ZINC000072180925 JK Annotated Mild Cc1ccc(/C(=N/O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(Oc2ccc(Cl)cc2-c2ccno2)n1 ZINC000072180926 JK Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c(Oc2ccc(Cl)cc2-c2ccno2)n1 ZINC000072180927 JK Annotated Mild C[C@@H](CNC1CCCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181103 JK Annotated Anodyne C[C@H](CNC1CCCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181104 JK Annotated Anodyne C[C@@H](CNC1CCCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181105 JK Annotated Anodyne C[C@H](CNC1CCCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181106 JK Annotated Anodyne COC(=O)C1CCN(/C(=N\O)c2ccc(C)nc2Oc2ccc3oc4ccccc4c3c2)CC1 ZINC000072181309 JK Annotated Mild O/N=C(/c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072181419 JK Annotated Mild COc1c(CN(C(=O)c2ccc(Br)cc2)c2ccccc2)ccc2c1OC(C)(C)C=C2 ZINC000072181501 JK Annotated Anodyne O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000072181615 JK Annotated Mild CCOc1ccc(OC[C@@H](CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)OC)cc1 ZINC000072181689 JK Annotated Anodyne CCOc1ccc(OC[C@H](CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)OC)cc1 ZINC000072181690 JK Annotated Anodyne COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Oc1c(C)cccc1C)n2C1CCCCC1 ZINC000072181842 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1 ZINC000072181877 JK Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1 ZINC000072181878 JK Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1 ZINC000072181879 JK Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1 ZINC000072181880 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072182035 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072182036 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000072182037 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000072182038 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072182039 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072182040 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072182041 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072182042 JK Annotated Anodyne COc1cc2c(cn1)c(C(=O)N1CCN[C@@H](C)C1)c(Cc1cccc(F)c1C)n2C1CCCCC1 ZINC000072182215 JK Annotated Anodyne CCOc1ccccc1N(Cc1ccccc1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072182245 JK Annotated Anodyne Cc1ccc(CN[C@@H](c2cccc(C#N)c2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072182283 JK Annotated Mild Cc1ccc(CN[C@H](c2cccc(C#N)c2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072182284 JK Annotated Mild Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182334 JK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182335 JK Annotated Anodyne COc1ccc(CN/C(=N\O)c2ccc(C)nc2Oc2ccc3oc4ccccc4c3c2)cc1 ZINC000072182430 JK Annotated Mild CCOc1ccccc1CN/C(=N\O)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072182720 JK Annotated Mild O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)nc1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000072182734 JK Annotated Anodyne Cc1ccc(CN[C@@H](c2cccc(Cl)c2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072182967 JK Annotated Anodyne Cc1ccc(CN[C@H](c2cccc(Cl)c2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072182968 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072183195 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072183196 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000072183197 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000072183198 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072183199 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072183200 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072183201 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072183202 JK Annotated Anodyne Cc1ccc(/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)c(Oc2ccc3ccccc3c2)n1 ZINC000072183267 JK Annotated Mild Cc1ccc(CN[C@@H](c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072183430 JK Annotated Anodyne Cc1ccc(CN[C@H](c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072183431 JK Annotated Anodyne Cc1cccc(CN[C@@H](c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)c1 ZINC000072183470 JK Annotated Anodyne Cc1cccc(CN[C@H](c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)c1 ZINC000072183471 JK Annotated Anodyne Cc1cc(Oc2nc(C)ccc2/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)cc(C(C)C)c1 ZINC000072183779 JK Annotated Mild Cc1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)c2ccccc2F)cc1 ZINC000072183841 JK Annotated Anodyne Cc1ccc(CN[C@@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)c2ccccc2F)cc1 ZINC000072183842 JK Annotated Anodyne Brc1ccccc1-c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000072183897 JK Annotated Anodyne Cc1ccc(/C(=N/O)N2c3ccccc3CC[C@@H]2C)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072184298 JK Annotated Mild Cc1ccc(/C(=N/O)N2c3ccccc3CC[C@H]2C)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072184299 JK Annotated Mild FC(F)(F)Cn1cc([C@@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072184480 JK Annotated Anodyne FC(F)(F)Cn1cc([C@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072184481 JK Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC(CN(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184513 JK Annotated Anodyne C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184664 JK Annotated Anodyne C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184665 JK Annotated Anodyne C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184666 JK Annotated Anodyne C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184667 JK Annotated Anodyne Fc1ccc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1C(F)(F)F ZINC000072184729 JK Annotated Anodyne Fc1ccc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1C(F)(F)F ZINC000072184730 JK Annotated Anodyne Cc1ccc(/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072184852 JK Annotated Mild Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1 ZINC000072184901 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cccnc1 ZINC000072184902 JK Annotated Anodyne FC(F)(F)Cn1cc([C@@H](NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072184919 JK Annotated Clean FC(F)(F)Cn1cc([C@H](NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072184920 JK Annotated Clean Cc1ccc(/C(=N/O)N2CCN(c3ccccc3)CC2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072184962 JK Annotated Mild CC(C)C[C@H](NCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072185221 JK Annotated Anodyne CC(C)C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072185222 JK Annotated Anodyne N#Cc1ccc([C@H](c2cccnc2)N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000072185448 JK Annotated Mild N#Cc1ccc([C@@H](c2cccnc2)N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000072185449 JK Annotated Mild N#Cc1ccc([C@@H](c2cccnc2)N2CCC(NC(=O)c3c(F)cccc3C(F)(F)F)CC2)cc1 ZINC000072185475 JK Annotated Mild N#Cc1ccc([C@H](c2cccnc2)N2CCC(NC(=O)c3c(F)cccc3C(F)(F)F)CC2)cc1 ZINC000072185476 JK Annotated Mild FC(F)(F)c1ccc(CN[C@@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1 ZINC000072185723 JK Annotated Anodyne FC(F)(F)c1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1 ZINC000072185724 JK Annotated Anodyne Cc1ccc(/C(=N/O)NCc2cc(F)cc(F)c2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072185830 JK Annotated Mild Cc1ccc(CN[C@@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CCCCC2)cc1 ZINC000072185843 JK Annotated Anodyne Cc1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CCCCC2)cc1 ZINC000072185844 JK Annotated Anodyne Cc1ccc(/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)c(Oc2ccc(F)c(Cl)c2)n1 ZINC000072185846 JK Annotated Mild CC(C)c1ccc(NC(=O)N2CCN([C@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072185979 JK Annotated Anodyne CC(C)c1ccc(NC(=O)N2CCN([C@@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072185980 JK Annotated Anodyne FC(F)(F)c1ccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)co2)cc1 ZINC000072186019 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccnc1 ZINC000072186061 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccnc1 ZINC000072186062 JK Annotated Anodyne COc1ccccc1CN[C@@H](c1ccccc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072186076 JK Annotated Anodyne COc1ccccc1CN[C@H](c1ccccc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072186077 JK Annotated Anodyne COc1cccc(CN/C(=N\O)c2ccc(C)nc2Oc2ccc3oc4ccccc4c3c2)c1 ZINC000072186368 JK Annotated Mild Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1)c1cccnc1 ZINC000072186432 JK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1)c1cccnc1 ZINC000072186433 JK Annotated Anodyne COc1ccccc1CN[C@@H](CCc1ccccc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072186626 JK Annotated Anodyne COc1ccccc1CN[C@H](CCc1ccccc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072186627 JK Annotated Anodyne C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)C[C@H](C)O1 ZINC000072187797 JK Annotated Clean C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@H](CC1CC1)c1ccc(C)c(F)c1 ZINC000072190135 JK Annotated Mild investigational O=C(Oc1ccccc1Cl)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000072315374 JK Annotated Anodyne O=C(Oc1ccccc1Cl)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000072315375 JK Annotated Anodyne CC1(C(=O)O)CCC(O)(c2ncc(-c3cccc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC1 ZINC000072315387 JK Annotated Anodyne Cc1cc(Nc2nccc([C@H](C)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 ZINC000072315496 JK Annotated Anodyne Cc1cc(Nc2nccc([C@@H](C)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 ZINC000072315497 JK Annotated Anodyne O=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4ccc5occc5c4)cc3)nc3cnccc32)C1 ZINC000072315500 JK Annotated Anodyne CSc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3cccc(C)n3)cnc2c1 ZINC000072315533 JK Annotated Anodyne CCCOc1sc(C(=O)N2[C@H]3CC[C@@H]2CC(c2cc(CN)ccc2F)C3)c(C)c1Br ZINC000072315843 JK Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNCC2(N)CCCC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000072316082 JK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNCC2(N)CCCC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000072316083 JK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1ccccc1Br ZINC000072316649 JK Annotated Mild CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1 ZINC000072316693 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)n1)c1ccc(-c2ccc(OC(C)C)cc2)cc1 ZINC000072316695 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc(COC)cc2)cc1 ZINC000072316696 JK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccc(OC(C)C)cc2)cc1 ZINC000072316697 JK Annotated Anodyne CC#Cc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1 ZINC000072316699 JK Annotated Anodyne CC(C)Oc1ccc(-c2ccc(N(CC3(N)CCCC3)C(=O)[C@@H]3C[C@H]3c3cccc(F)n3)cc2)cc1 ZINC000072316701 JK Annotated Anodyne COCc1ccc(-c2ccc(N(CC3(N)CCCC3)C(=O)[C@@H]3C[C@H]3c3cccc(F)n3)cc2)cc1 ZINC000072316702 JK Annotated Anodyne CCCc1ccc(-c2ccc(N(CC3(N)CCOCC3)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1 ZINC000072316703 JK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C(C)C ZINC000072316845 JK Annotated Bother O=S(=O)(Nc1cc(-c2ccc3nccc(-c4cccnc4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000072317576 JK Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C(Cl)(Cl)C[C@]4(O)C3=CC[C@@H]12 ZINC000072317842 JK Annotated Anodyne CO[C@H]1C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)C(Cl)(Cl)C[C@]4(O)C3=CC[C@H]2C1(C)C ZINC000072317844 JK Annotated Anodyne CO[C@H]1C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](Cl)C[C@]4(O)C3=CC[C@H]2C1(C)C ZINC000072317846 JK Annotated Anodyne N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc12 ZINC000072323808 JK Annotated Mild C=C[C@H](Cc1cn(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000072482039 JK Annotated Mild C=C[C@@H](Cc1cn(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000072482040 JK Annotated Mild C[C@H](CC/C=C(\CO)C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000072937898 JK Annotated Anodyne CC1=CC[C@H]2[C@@H]([C@@H]1CC[C@@H]1[C@@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]31C)C(C)(C)CC[C@]2(C)O ZINC000072940728 JK Annotated Anodyne C[C@H](CC/C=C(\CO)C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000072946471 JK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@H](c1ccc3ccccc3c1/C=C\c1ccccc1)N(Cc1ccccc1)C2=O ZINC000073022513 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 ZINC000073044152 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 ZINC000073044156 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000073044172 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000073044176 JK Annotated Anodyne CC/C=C\C[C@]1(C(=O)OC)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000073048565 JK Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccccc2)cc1 ZINC000073053665 JK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(CC(C)=CC[C@@H](C)O2)c2c(Br)cccc21 ZINC000073053849 JK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000073057758 JK Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000073077756 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5[nH]nc(O)c5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073093268 JK Annotated Anodyne O=S(=O)(/N=C(\O)c1sccc1SCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000073129471 JK Annotated Mild COc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(Br)c2)cc1F ZINC000073129614 JK Annotated Anodyne Nc1cccc(S(=O)(=O)/N=C(\O)c2sccc2SCc2ccc(Cl)c(Cl)c2)c1 ZINC000073129873 JK Annotated Mild CC(C)c1cccc2cc[n+](C)c(Cc3cccc(Cc4c5c(C(C)C)cccc5cc[n+]4C)c3)c12 ZINC000073129877 JK Annotated Anodyne CC(C)c1cccc2c1[C@H](Cc1ccc(C[C@@H]3c4c(cccc4C(C)C)CCN3C)cc1)N(C)CC2 ZINC000073129884 JK Annotated Anodyne CC(C)c1cccc2c1[C@@H](Cc1ccc(C[C@@H]3c4c(cccc4C(C)C)CCN3C)cc1)N(C)CC2 ZINC000073129888 JK Annotated Anodyne CC(C)c1cccc2c1[C@H](Cc1cccc(C[C@@H]3c4c(cccc4C(C)C)CCN3C)c1)N(C)CC2 ZINC000073129904 JK Annotated Anodyne CC(C)c1cccc2c1[C@@H](Cc1cccc(C[C@@H]3c4c(cccc4C(C)C)CCN3C)c1)N(C)CC2 ZINC000073129907 JK Annotated Anodyne O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000073129972 JK Annotated Bother O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000073129976 JK Annotated Bother O=C(O)c1cc(-c2ccc(/C=C3\OC(=S)N(CCc4ccccc4)C3=O)o2)ccc1Cl ZINC000073137876 JK Annotated Clean O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)N/N=C/c1ccc(Cl)c(F)c1 ZINC000073138163 JK Annotated Reactive O=C1C(Cl)=C(Oc2ccccc2OC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000073138178 JK Annotated Mild CCOC(=O)c1c(N)nc2c(c1-c1ccc(Br)cc1)CCc1c-2[nH]c2ccc(C)cc12 ZINC000073138533 JK Annotated Anodyne Cc1cc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Cl)c(F)c4)c(=O)c23)ccc1Cl ZINC000073138931 JK Annotated Reactive Cc1cc(C)c(CSC2=C(SCc3c(C)cc(C)cc3C)C(=O)c3ccccc3C2=O)c(C)c1 ZINC000073139347 JK Annotated Mild CCOC(=O)/C=C/c1cc(Br)c(OCc2nc(C)c(C)nc2C)c(Br)c1 ZINC000073139350 JK Annotated Anodyne CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073139670 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3Cl)[C@@H]1C2 ZINC000073139901 JK Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000073139903 JK Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000073139905 JK Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000073139906 JK Annotated Bother NCC(=O)Nc1cccc(C#Cc2ccc(C(=O)O)c(SCc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000073139987 JK Annotated Mild COc1ccc(C(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc2)cc1 ZINC000073140023 JK Annotated Anodyne COc1ccc(C(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc2)cc1 ZINC000073140026 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000073140029 JK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000073140031 JK Annotated Anodyne CN(C)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073140037 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000073140146 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000073140149 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000073140153 JK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000073140156 JK Annotated Anodyne O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000073140415 JK Annotated Anodyne O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000073140419 JK Annotated Anodyne COc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073141243 JK Annotated Anodyne COc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073141246 JK Annotated Anodyne CCc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073141249 JK Annotated Anodyne CCCc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073141251 JK Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2cc(O)cc(F)c2)C1 ZINC000073141602 JK Annotated Anodyne O=C(N[C@@H]1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1cccc2ncccc12 ZINC000073141790 JK Annotated Anodyne O=C(N[C@H]1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1cccc2ncccc12 ZINC000073141795 JK Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)c1ccccc1OC ZINC000073156619 JK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)c1cccc2ccccc12 ZINC000073156629 JK Annotated Mild Cc1cc(NC(=O)CC2CCNCC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 ZINC000073156846 JK Annotated Anodyne N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OS(=O)(=O)c3ccc(Cl)cc3)c2c1 ZINC000073157030 JK Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073157482 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073157485 JK Annotated Anodyne Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(-c3cccnc3)cc2c1=O ZINC000073157796 JK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2cc3cc(C(=O)N4CCCCC4)c(=O)oc3c3ccccc23)cc1 ZINC000073158432 JK Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073159137 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073159141 JK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1C ZINC000073159756 JK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/CC1=C(C)CC[C@@]2(C(=O)OC)CCC(C)(C)C[C@@H]12 ZINC000073160991 JK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C/C=C/c1ccccc1 ZINC000073161473 JK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1cccc2c1C(=O)C=CC2=O ZINC000073161561 JK Annotated Mild [O-][n+]1ccc2c(-c3ccccc3Cl)cc(N3CCNCC3)nc2c1-c1c(Cl)cccc1Cl ZINC000073161718 JK Annotated Anodyne [O-][n+]1ccc2c(-c3ccccc3Cl)cc(NC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl ZINC000073161721 JK Annotated Anodyne Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2C(F)(F)F)cn1 ZINC000073161983 JK Annotated Anodyne Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2C(F)(F)F)cn1 ZINC000073161985 JK Annotated Anodyne COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](/C=C/c2ccccc2)C1 ZINC000073162188 JK Annotated Anodyne COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](/C=C/c2ccccc2)C1 ZINC000073162192 JK Annotated Anodyne Cc1nnsc1C1=NN=C(O)/C1=C\c1cn(C)c2cccc(OCc3c(F)cccc3Cl)c12 ZINC000073162346 JK Annotated Anodyne Cc1nnsc1C1=NN=C(O)/C1=C\c1cn(C)c2cccc(OCc3c(F)ccc(Cl)c3F)c12 ZINC000073162348 JK Annotated Anodyne CCCCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 ZINC000073162613 JK Annotated Mild Cc1cc(C)c(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)c(C)c1 ZINC000073162838 JK Annotated Mild COc1ccc(-c2nc(C(=O)N/N=C/c3ccccc3Cl)cc3c2[nH]c2ccccc23)cc1 ZINC000073162985 JK Annotated Reactive Cc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C=O)cc23)cc1 ZINC000073163152 JK Annotated Anodyne COc1cccc(Oc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)c1 ZINC000073163357 JK Annotated Anodyne N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OS(=O)(=O)c3ccccc3)c2c1 ZINC000073164098 JK Annotated Mild Cc1ccccc1S(=O)(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C#N)cc12 ZINC000073164101 JK Annotated Mild CCOC(=O)[C@@]1(C#N)C(c2ccc(Cl)cc2)=C(C(=O)c2cccs2)N2C(C)=CC=C[C@H]21 ZINC000073164429 JK Annotated Mild CCOC(=O)[C@]1(C#N)C(c2ccc(Cl)cc2)=C(C(=O)c2cccs2)N2C(C)=CC=C[C@H]21 ZINC000073164432 JK Annotated Mild CCOC(=O)[C@@]1(C#N)C(c2ccc(Cl)cc2)=C(C(=O)c2cccs2)N2C(C)=CC=C[C@@H]21 ZINC000073164435 JK Annotated Mild CCOC(=O)[C@]1(C#N)C(c2ccc(Cl)cc2)=C(C(=O)c2cccs2)N2C(C)=CC=C[C@@H]21 ZINC000073164438 JK Annotated Mild O=C(N/N=C/c1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000073165149 JK Annotated Reactive O=C(N/N=C/c1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000073165285 JK Annotated Reactive CC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F ZINC000073165563 JK Annotated Anodyne CCn1c(SCc2ccccc2)nc(NC(C)=O)c(N(Cc2ccccc2)Cc2ccccc2)c1=O ZINC000073166023 JK Annotated Anodyne COc1ccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)cc(N3CCCCC3)n2)cc1 ZINC000073166819 JK Annotated Anodyne COc1ccc(Nc2nc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCCCC3)n2)cc1 ZINC000073166821 JK Annotated Anodyne Cn1cc(/C=C2\C(O)=NN=C2c2nccs2)c2c(OCc3c(F)cccc3F)cccc21 ZINC000073167021 JK Annotated Anodyne Cn1cc(/C=C2\C(O)=NN=C2c2nccs2)c2c(OCc3c(F)cccc3Cl)cccc21 ZINC000073167024 JK Annotated Anodyne COc1ccc(Nc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1 ZINC000073167450 JK Annotated Anodyne COc1ccc(Cc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1 ZINC000073167452 JK Annotated Anodyne COc1cc(Cc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)ccc1O ZINC000073167516 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(Cc4ccc(O)cc4)c(C)c3oc2=O)ccc1O ZINC000073167523 JK Annotated Anodyne CC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073168675 JK Annotated Anodyne COc1cccc(Cc2ccc3cc(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)c1 ZINC000073168694 JK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073168871 JK Annotated Mild Cn1cc(/C=C2\C(O)=NN=C2c2nccs2)c2c(OCc3cccc(F)c3F)cccc21 ZINC000073169147 JK Annotated Anodyne COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3ccnc3)c(OC)c2)n1 ZINC000073169296 JK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1cccc(CCC(=O)O)c1 ZINC000073169853 JK Annotated Anodyne c1ccc(C[n+]2ccn(-c3ccc(-c4ccc(-n5cc[n+](Cc6ccccc6)c5)cc4)cc3)c2)cc1 ZINC000073170076 JK Annotated Anodyne CCCCCC(c1cc(Br)c(O)cc1O)c1cc(Br)c(O)cc1O ZINC000073195689 JK Annotated Anodyne Oc1ccc([C@@H](c2cc(Br)c(O)cc2O)c2c(Cl)cccc2Cl)c(O)c1 ZINC000073195801 JK Annotated Anodyne Oc1ccc([C@H](c2cc(Br)c(O)cc2O)c2c(Cl)cccc2Cl)c(O)c1 ZINC000073195802 JK Annotated Anodyne Cc1ccc(-c2c(OS(=O)(=O)c3ccc(C)cc3)c3cc(C#N)ccn3c2-c2ccc(C)cc2)cc1 ZINC000073195897 JK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](OS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000073195971 JK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](OS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000073195972 JK Annotated Mild Cc1cc(C)cc(S(=O)(=O)O[C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000073195973 JK Annotated Mild Cc1cc(C)cc(S(=O)(=O)O[C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000073195974 JK Annotated Mild CC(C)c1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000073196286 JK Annotated Mild COc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000073196287 JK Annotated Mild COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)n1 ZINC000073196298 JK Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000073196555 JK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000073196556 JK Annotated Mild O=[N+]([O-])c1nccn1CCCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000073196759 JK Annotated Bother O=[N+]([O-])c1nccn1CCCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000073196760 JK Annotated Bother CC(=O)c1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OS(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000073196846 JK Annotated Anodyne CN(C)C(=S)Nc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)c1 ZINC000073196862 JK Annotated Anodyne O=[N+]([O-])c1ncn(CCCN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000073196889 JK Annotated Bother CN(C)C(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)nc1 ZINC000073196956 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)nc1 ZINC000073196957 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCC(c2ccccc2)c2ccccc2)cc1 ZINC000073197100 JK Annotated Clean CCOP(=O)(OCC)[C@H](Nc1nc2ccccc2s1)c1ccc(-c2ccncc2)cc1 ZINC000073197347 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1nc2ccccc2s1)c1ccc(-c2ccncc2)cc1 ZINC000073197348 JK Annotated Anodyne Clc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000073197485 JK Annotated Anodyne Clc1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)cc1 ZINC000073197486 JK Annotated Anodyne COc1cccc2c1C[C@@H]1[C@H](/C=C/c3ccccc3)c3c(OC)cccc3O[C@]1(c1ccccc1)O2 ZINC000073197711 JK Annotated Anodyne CCCC(=O)O[C@]1(C)CCC[C@@](C)([S@](C)=O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]1C(C)C ZINC000073197854 JK Annotated Anodyne CCCC(=O)O[C@]1(C)CCC[C@@](C)([S@@](C)=O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]1C(C)C ZINC000073197855 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2cccc(OC(=O)c3ccccc3)c2)cc1 ZINC000073197892 JK Annotated Clean CCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000073197904 JK Annotated Mild CCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000073197905 JK Annotated Mild Cc1ccc(/N=C(O)/C(C#N)=C2\S/C(=N\Nc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000073198024 JK Annotated Reactive O=S1(=O)c2ccccc2N(c2ccccc2)c2nc(-c3cccnc3Nc3ccccc3)nn21 ZINC000073198055 JK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3ccccc3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000073198056 JK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccccc3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000073198057 JK Annotated Anodyne CC(C)N(CCOc1ccc2c(c1)C(=O)c1cc(OCCN(C(C)C)C(C)C)ccc1-2)C(C)C ZINC000073198172 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000073198629 JK Annotated Anodyne in-vitro CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000073198630 JK Annotated Anodyne in-vitro COc1ccc(N/N=C2\S/C(=C(C#N)\C(O)=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000073198955 JK Annotated Reactive Cc1ccc(/N=C(O)/C(C#N)=C2\S/C(=N\Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000073198956 JK Annotated Reactive COc1ccc(N/N=C2\S/C(=C(C#N)\C(O)=N\c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000073198957 JK Annotated Reactive COc1c(Br)c(Br)c(C[C@@H]2CCCCC2=O)c(Br)c1OC ZINC000073199016 JK Annotated Anodyne COc1c(Br)c(Br)c(C[C@H]2CCCCC2=O)c(Br)c1OC ZINC000073199017 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000073199074 JK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000073199075 JK Annotated Bother FC(F)(F)c1cc([C@@H]2O[C@@H](c3ncc[nH]3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000073199128 JK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3ncc[nH]3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000073199129 JK Annotated Anodyne CC(C)CCC[C@](C)(O)c1ccc(Cc2cc([C@@](C)(O)CCCC(C)C)c(O)cc2CO)cc1O ZINC000073199228 JK Annotated Anodyne O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCCC1 ZINC000073199579 JK Annotated Anodyne O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCC1 ZINC000073199584 JK Annotated Anodyne Oc1ccc2ccccc2c1-c1nc2ccccc2nc1-c1c[nH]c2ccc(Br)cc12 ZINC000073199589 JK Annotated Anodyne Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccccc3Cl)C2)c(C)c1Cl ZINC000073199595 JK Annotated Clean Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccccc3Cl)C2)c(C)c1Cl ZINC000073199597 JK Annotated Clean O=S(=O)(c1ccccc1)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000073200077 JK Annotated Anodyne O=C(N1CCCCC1)N1CC(O[C@H](c2ccc(Cl)c(Cl)c2)c2cccnc2Cl)C1 ZINC000073200366 JK Annotated Anodyne O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(Cl)c(Cl)c2)c2cccnc2Cl)C1 ZINC000073200368 JK Annotated Anodyne C=C[C@@](C)(/C=C/c1ccc(OC(=O)CCCCCCCCCCCCCCC)cc1)CCC=C(C)C ZINC000073200404 JK Annotated Mild CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O ZINC000073200565 JK Annotated Anodyne O=C([C@@H]1CNC[C@H]1c1ccccc1Br)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000073219491 JK Annotated Anodyne O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000073219754 JK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000073219756 JK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000073219760 JK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000073219766 JK Annotated Anodyne in-vitro CSc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1 ZINC000073219859 JK Annotated Anodyne CC(C)Oc1cc(CC/C(O)=N/S(=O)(=O)c2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000073219989 JK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)[C@@H](O)C(=O)C=C(C)C ZINC000073220253 JK Annotated Anodyne CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)c3cccc4cccnc34)ccc2O1 ZINC000073220333 JK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1ccccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000073220343 JK Annotated Anodyne Cc1ccc(Nc2ccccc2C(=O)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 ZINC000073220395 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2c(Cl)nn3Cc2n[nH]c3ncccc23)c1 ZINC000073220531 JK Annotated Mild O=C(O)CCC[C@H](/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000073220609 JK Annotated Anodyne in-vitro O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 ZINC000073220611 JK Annotated Anodyne in-vitro O=C(O)CCC[C@H](/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000073220614 JK Annotated Anodyne in-vitro O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000073220618 JK Annotated Anodyne in-vitro Nc1scc(CN2CCN(c3c(F)cccc3F)CC2)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000073220683 JK Annotated Anodyne COc1cc2c(=O)c(C3=N[C@@H](C)[C@@H](c4ccccc4)O3)cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000073220976 JK Annotated Anodyne Cc1ccc(Nc2ccccc2C(=O)Oc2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)c(C)c1 ZINC000073221124 JK Annotated Mild O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1C1CCCCC1 ZINC000073221381 JK Annotated Anodyne Cc1ccc2c(n1)CCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C1CCCCC1 ZINC000073221384 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1 ZINC000073221403 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1 ZINC000073221407 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1ccc(Cl)cc1C)c1ccccc1 ZINC000073221416 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1ccc(Cl)cc1C)c1ccccc1 ZINC000073221420 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc(Cl)cc1C)c1ccc(OC)cc1 ZINC000073221566 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc(Cl)cc1C)c1ccc(OC)cc1 ZINC000073221569 JK Annotated Anodyne Nc1scc(CN2CCN(c3cccc(F)c3)CC2)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000073221874 JK Annotated Anodyne COc1cc2c(=O)c(-c3noc(Cc4ccccc4)n3)cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000073222235 JK Annotated Anodyne COc1cc2c(=O)c(-c3nc(Cc4ccccc4)no3)cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000073222237 JK Annotated Anodyne COc1ccc(-c2c(C#N)c(-c3ccccc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073222472 JK Annotated Mild CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1cccc(C)c1C)c1ccccc1 ZINC000073222620 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1cccc(C)c1C)c1ccccc1 ZINC000073222622 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 ZINC000073222729 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 ZINC000073222730 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)cc1 ZINC000073222732 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)cc1 ZINC000073222735 JK Annotated Anodyne CCc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1 ZINC000073222821 JK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1 ZINC000073223115 JK Annotated Anodyne Ic1cccc(-c2nsc(-c3cccc(I)c3)n2)c1 ZINC000073223130 JK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccc(Br)cc3)cc2)cc1 ZINC000073223764 JK Annotated Mild CCCCc1cc2c(=O)c(-c3ccc(C)cc3C)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073224104 JK Annotated Anodyne O=[N+]([O-])c1cccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc(S)n2)c1 ZINC000073224277 JK Annotated Bother Cc1ccc(Nc2ccccc2C(=O)Oc2ccc(/N=C/c3ccc(Br)cc3)cc2)c(C)c1 ZINC000073224299 JK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3ccccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224658 JK Annotated Mild Cc1cc(Oc2ccc(/C=N/NC(=S)Nc3ccc(Br)cc3)cc2)ccc1Cl ZINC000073224755 JK Annotated Mild S=C(N/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1)Nc1ccc(Br)cc1 ZINC000073224756 JK Annotated Mild Brc1ccc2cc(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)[nH]c2c1 ZINC000073224968 JK Annotated Anodyne Nc1nc(Cc2ccc(-c3cccc4oc5ccccc5c34)cc2)cn1Cc1ccccc1Cl ZINC000073224980 JK Annotated Anodyne S=C(N/N=C/c1ccc(Oc2ccc3c(c2)OCO3)cc1)Nc1ccc(Br)cc1 ZINC000073224999 JK Annotated Mild COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073225058 JK Annotated Mild COc1ccc(-c2c(C#N)c(-c3ccc(F)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073225070 JK Annotated Mild CO[C@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1 ZINC000073239891 JK Annotated Anodyne CCCCc1cc2c(=O)c(-c3ccc(Cl)cc3C)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073239894 JK Annotated Anodyne C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000073240039 JK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000073240097 JK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000073240100 JK Annotated Mild COc1ccc(-c2c(C#N)c(-c3cccnc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073240409 JK Annotated Mild CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000073240654 JK Annotated Anodyne CCCCCCCCSC(SCCCCCCCC)=C1C(=O)N(c2ccccc2)N=C1C ZINC000073241850 JK Annotated Mild CC(C)(Br)[C@H](Br)CC/C(=C\CBr)CBr ZINC000073242459 JK Annotated Reactive CC(C)(Br)[C@@H](Br)CC/C(=C\CBr)CBr ZINC000073242462 JK Annotated Reactive CCN1C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000073257079 JK Annotated Anodyne CCN1C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000073257082 JK Annotated Anodyne CN(C)c1ccc(/C=C/C=C\c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)[s+]c3ccccc23)cc1 ZINC000073257249 JK Annotated Clean CC1(C)[C@H]2C[C@@H]1[C@@H]([C@@H]1c3cc(-c4ccccn4)ncc3[C@@H]3C[C@H]1C3(C)C)c1cc(-c3ccccn3)ncc12 ZINC000073257669 JK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC ZINC000073257753 JK Annotated Mild CCOc1c(Br)cc(/C=C2\CCC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000073257754 JK Annotated Mild CCCOc1c(Br)cc(/C=C2\CCC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000073257755 JK Annotated Mild CCCCCCCCCOc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073257955 JK Annotated Mild CCCCCCCCCCOc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073257956 JK Annotated Mild CC1=C[C@H](O)[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000073258458 JK Annotated Anodyne C=C1[C@H](C)CO[C@@]12C[C@@H](C)[C@H]1[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]13C)O2 ZINC000073258565 JK Annotated Mild C=C1[C@@H](C)CO[C@@]12C[C@@H](C)[C@H]1[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]13C)O2 ZINC000073258566 JK Annotated Mild C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@H](C[C@@]4(C)CCC[C@@H]5C6=C[C@H](CC[C@@]34C)OC6=CC(=O)OC5(C)C)O2)OC1=O ZINC000073258642 JK Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1C(F)(F)F ZINC000073258699 JK Annotated Clean C[C@]1(c2cccc(C(F)(F)F)c2)CC(c2cccc(C(F)(F)F)c2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000073258891 JK Annotated Reactive C=C[C@@H]1CC(=O)N2[C@H](COCc3ccccc3)Cc3c(n(Cc4ccccc4)c4ccccc34)[C@H]2C1 ZINC000073259104 JK Annotated Mild CC(C)(Cl)[C@H](Br)CC[C@](C)(Br)[C@H](Br)CBr ZINC000073273461 JK Annotated Unstable CC(C)(Cl)[C@H](Br)CC[C@@](C)(Br)[C@H](Br)CBr ZINC000073273469 JK Annotated Unstable COc1cc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000073273621 JK Annotated Mild CCOc1c(Br)cc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000073273626 JK Annotated Mild CCCOc1c(Br)cc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000073273627 JK Annotated Mild CC(=O)OC(Cc1cc(C=C(C(F)(F)F)C(F)(F)F)cc(C)n1)(C(F)(F)F)C(F)(F)F ZINC000073273659 JK Annotated Mild O=C(/C(=C\c1ccccc1Cl)S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000073275206 JK Annotated Mild CCCCN(CCCC)c1ccc(-c2ccc(/C=C/c3ccc4ccccc4[n+]3C)s2)s1 ZINC000073275701 JK Annotated Anodyne O=C1c2ccccc2S[C@@H](c2cc(Br)ccc2O)N1c1ccc(C(F)(F)F)cc1 ZINC000073275784 JK Annotated Clean O=C1c2ccccc2S[C@H](c2cc(Br)ccc2O)N1c1ccc(C(F)(F)F)cc1 ZINC000073275788 JK Annotated Clean O=C(/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000073276082 JK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000073276084 JK Annotated Mild O=C(/C(=C\c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000073276098 JK Annotated Mild C=C[C@H]1CC(=O)N2[C@@H](C1)c1c(c3ccccc3n1Cc1ccccc1)C[C@@H]2COCc1ccccc1 ZINC000073277401 JK Annotated Mild CN(C)[C@]12C=CC=CC3=C(c4ccccc4)C(c4ccccc4)=C(c4ccccc4)[C@]31c1ccccc1C2 ZINC000073277546 JK Annotated Anodyne CN(C)[C@@]12C=CC=CC3=C(c4ccccc4)C(c4ccccc4)=C(c4ccccc4)[C@]31c1ccccc1C2 ZINC000073277550 JK Annotated Anodyne CN(C)[C@]12C=CC=CC3=C(c4ccccc4)C(c4ccccc4)=C(c4ccccc4)[C@@]31c1ccccc1C2 ZINC000073277553 JK Annotated Anodyne CN(C)[C@@]12C=CC=CC3=C(c4ccccc4)C(c4ccccc4)=C(c4ccccc4)[C@@]31c1ccccc1C2 ZINC000073277556 JK Annotated Anodyne O=[P@@]1(Oc2ccccc2)N=P(c2ccccc2)(c2ccccc2)C=C(c2ccc(Cl)cc2)N1 ZINC000073279485 JK Annotated Reactive O=C(/C(=C\c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000073279905 JK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000073279913 JK Annotated Mild C=C(c1ccc(F)cc1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2 ZINC000073279954 JK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OC ZINC000073280348 JK Annotated Mild CCCOc1c(Br)cc(/C=C2\CCC/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000073280350 JK Annotated Mild O=C(N1CCc2ccccc2C1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073280699 JK Annotated Anodyne O=C(N1CCc2ccccc2C1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073280702 JK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000073280770 JK Annotated Mild O=C1CCC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)C[C@H](COCC3CCCCC3)N12 ZINC000073280861 JK Annotated Anodyne C=C([C@H](C)[C@]1(O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@H](C)C(=O)C=C[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@@H]1C)[C@@H](C)CO ZINC000073280954 JK Annotated Mild C=C([C@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@H](C)C(=O)C=C[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@@H]1C)[C@@H](C)CO ZINC000073280956 JK Annotated Mild C=C([C@@H](C)CO)[C@@H](C)[C@]1(O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@H](C)C(=O)C=C[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@@H]1C ZINC000073280958 JK Annotated Mild C=C([C@@H](C)CO)[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@H](C)C(=O)C=C[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@@H]1C ZINC000073280961 JK Annotated Mild COc1cc(-c2[nH]ccc2Cl)oc1C1=C2N=C3C=C2[C@@H](C(C)C)[C@H]1CCCCCCCC3 ZINC000073281025 JK Annotated Anodyne C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000073292423 JK Annotated Bother C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000073292426 JK Annotated Bother O=C(N1CCC(F)(F)CC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073292456 JK Annotated Anodyne O=C(N1CCC(F)(F)CC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073292459 JK Annotated Anodyne CN(Cc1ccccc1)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073293269 JK Annotated Anodyne CN(Cc1ccccc1)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073293274 JK Annotated Anodyne CC(C)=C[C@H]1C=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C(=O)O1 ZINC000073293282 JK Annotated Anodyne COc1ccc(C(=O)/C(=C\c2ccc(Br)cc2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000073293593 JK Annotated Mild COc1ccc(C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000073293602 JK Annotated Mild COc1ccc(Oc2c(Cl)cnn(CC(=O)N(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000073294063 JK Annotated Anodyne COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](NC(=O)C(C)(C)C)[C@@H]1CCCN1C3 ZINC000073294120 JK Annotated Bother OC1=NC(=S)S/C1=C\c1c(-c2ccc(Br)cc2)nc2sc(C(F)(F)F)nn12 ZINC000073294131 JK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(Br)cc3)ccc2c1 ZINC000073294388 JK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(Br)cc3)ccc2c1 ZINC000073294390 JK Annotated Anodyne CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(CC(C)C)ccc23)cc1 ZINC000073294459 JK Annotated Anodyne C[C@@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073294634 JK Annotated Bother C[C@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073294636 JK Annotated Bother CC(C)[C@@H]1Cc2sc3[nH]c(=O)n(C/C=C/c4ccc(O)cc4)c(=O)c3c2[C@H](Cc2ccccc2)C1 ZINC000073294651 JK Annotated Anodyne CC(C)[C@H]1Cc2sc3[nH]c(=O)n(C/C=C/c4ccc(O)cc4)c(=O)c3c2[C@H](Cc2ccccc2)C1 ZINC000073294653 JK Annotated Anodyne CC(C)[C@@H]1Cc2sc3[nH]c(=O)n(C/C=C/c4ccc(O)cc4)c(=O)c3c2[C@@H](Cc2ccccc2)C1 ZINC000073294655 JK Annotated Anodyne CC(C)[C@H]1Cc2sc3[nH]c(=O)n(C/C=C/c4ccc(O)cc4)c(=O)c3c2[C@@H](Cc2ccccc2)C1 ZINC000073294657 JK Annotated Anodyne C=C(C(=O)OCCCCCCCCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073294727 JK Annotated Reactive C=C(C(=O)OCCCCCCCCN1CCN(C)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073294834 JK Annotated Mild O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cccs2)cc1 ZINC000073294951 JK Annotated Unstable CCCCc1cc(Br)c(O)c(-c2cc(CCCC)cc(Br)c2O)c1 ZINC000073295334 JK Annotated Anodyne CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C4CCC4)ccc23)cc1 ZINC000073295403 JK Annotated Anodyne COc1cccc(/C=C/C(=O)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C[C@@H](O)CC[C@]6(C)[C@H]4CC[C@]23C)c1 ZINC000073295553 JK Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000073296053 JK Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(Br)cc1 ZINC000073296055 JK Annotated Mild COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000073296146 JK Annotated Bother COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000073296148 JK Annotated Bother COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2cccc3ccccc23)=C/C(=N\O)C[C@H]1C ZINC000073296261 JK Annotated Mild COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(Cl)cc3Cl)ccc2c1 ZINC000073296638 JK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(Cl)cc3Cl)ccc2c1 ZINC000073296641 JK Annotated Anodyne Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(Oc4ccccc4)ncc23)c1 ZINC000073296854 JK Annotated Anodyne COc1ccc(Br)c(-c2nnc3sc(-c4cc(Cl)cc(Cl)c4)nn23)c1 ZINC000073297064 JK Annotated Anodyne CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000073297079 JK Annotated Anodyne O=C(N/N=C/c1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 ZINC000073297171 JK Annotated Reactive COc1ccc(/C=C/C(=O)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C[C@@H](O)CC[C@]6(C)[C@H]4CC[C@]23C)cc1 ZINC000073297415 JK Annotated Mild C=C(C(=O)OCCCCCCCCCCN1CCN(C)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073297774 JK Annotated Mild COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccc(-c4ccccc4)cc2)S3)c1 ZINC000073298039 JK Annotated Anodyne COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccc(-c4ccccc4)cc2)S3)c1 ZINC000073298042 JK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3/C=C\c3ccccc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000073302691 JK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3/C=C\c3ccccc3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000073302695 JK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000073310018 JK Annotated Mild CCOc1ccc(/C=C/C(=O)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C[C@@H](O)CC[C@]6(C)[C@H]4CC[C@]23C)cc1OC ZINC000073310622 JK Annotated Mild CC(C)c1ccc(/C=C/C(=O)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C[C@@H](O)CC[C@]6(C)[C@H]4CC[C@]23C)cc1 ZINC000073310629 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(C)(C)[C@@H]1CC[C@]3(C)Oc4ccc(Br)cc4C=C3[C@H]21 ZINC000073312214 JK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OCc3cccc4ccccc34)c1C2=O ZINC000073312246 JK Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2cccc3ccccc23)=CC(=O)C[C@H]1C ZINC000073312488 JK Annotated Mild C[C@](Nc1ccc(Cl)cc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073313871 JK Annotated Anodyne C[C@@](Nc1ccc(Cl)cc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073313875 JK Annotated Anodyne Cc1ccc(Sc2ccc(NS(C)(=O)=O)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 ZINC000073314047 JK Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](NC(=O)C(C)(C)C)[C@@H]1CCCN1C3 ZINC000073314102 JK Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@H]3NC(=O)C(C)(C)C ZINC000073314104 JK Annotated Bother C=C(C(=O)OCCCCCCCCCCn1cncn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073314743 JK Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(Cl)cc1 ZINC000073314972 JK Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccc(C(F)(F)F)cc2)=CC(=O)C[C@H]1C ZINC000073315036 JK Annotated Mild C=CCCC1(C[C@H](Sc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)OCCO1 ZINC000073315381 JK Annotated Reactive C=CCCC1(C[C@@H](Sc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)OCCO1 ZINC000073315384 JK Annotated Reactive Cc1ccc(/N=N/[C@H]2S/C(=C(\C#N)c3nc4ccccc4[nH]3)N(c3ccccc3)C2=O)cc1 ZINC000073315387 JK Annotated Reactive Cc1ccc(/N=N/[C@@H]2S/C(=C(\C#N)c3nc4ccccc4[nH]3)N(c3ccccc3)C2=O)cc1 ZINC000073315388 JK Annotated Reactive O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(F)cc2F)cc1 ZINC000073316432 JK Annotated Unstable COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000073316926 JK Annotated Anodyne CCOC(=O)/C=C/c1cc(Br)cc(Br)c1OCc1nc(C)c(C)nc1C ZINC000073320932 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000073330048 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000073330051 JK Annotated Anodyne N#C/C(=C1\S[C@@H](/N=N/c2ccc(Cl)cc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000073331892 JK Annotated Reactive N#C/C(=C1\S[C@H](/N=N/c2ccc(Cl)cc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000073331895 JK Annotated Reactive CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCC2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000073332231 JK Annotated Mild CN(C)C(=S)/N=C1\SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000073333135 JK Annotated Mild CSc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000073351195 JK Annotated Anodyne CCCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000073351346 JK Annotated Mild CCCCCCCCC[C@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000073351347 JK Annotated Mild CCCCCCCCC[C@@H]1[C@@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000073351348 JK Annotated Mild C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]2O[C@@]12C ZINC000073351356 JK Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000073352507 JK Annotated Reactive CCCCCCCCCCCCn1[nH]c(C)c(C(=S)SCCCCCCCC)c1=O ZINC000073370325 JK Annotated Mild CC(C)(Cl)[C@H](Br)CC[C@@](Br)(CCl)[C@H](Cl)CBr ZINC000073371406 JK Annotated Unstable CC(C)(Cl)[C@H](Br)CC[C@](Br)(CCl)[C@H](Cl)CBr ZINC000073371409 JK Annotated Unstable COc1ccc(Oc2c(Cl)cnn(C3=Nc4cc(Cl)ccc4Oc4ncccc43)c2=O)cc1 ZINC000073372721 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H]5CC[C@H](C(C)(C)O)OC5)CC[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000073386144 JK Annotated Anodyne CC(C)CCC[C@](C)(O)c1ccc(COc2cc(CO)ccc2[C@@](C)(O)CCCC(C)C)cc1O ZINC000073386260 JK Annotated Anodyne CC(C)CCS(=O)(=O)/N=C(\O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl ZINC000073386297 JK Annotated Mild O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Cl)cc1 ZINC000073388489 JK Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Cl)cc1 ZINC000073388492 JK Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Cl)cc1 ZINC000073388495 JK Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Cl)cc1 ZINC000073388499 JK Annotated Anodyne Cc1nnsc1C1=NN=C(O)/C1=C\c1cn(C)c2cccc(OCc3c(F)ccc(F)c3Cl)c12 ZINC000073388711 JK Annotated Anodyne CC(C)=C[C@@H]1O[C@H](O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O ZINC000073388932 JK Annotated Anodyne COC(=O)n1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21 ZINC000073388970 JK Annotated Reactive CCOC(=O)c1c(N)nc2c(c1-c1cc3ccccc3nc1Cl)CCc1c-2[nH]c2ccc(C)cc12 ZINC000073389772 JK Annotated Anodyne CO/N=C1\C[C@@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000073390757 JK Annotated Mild C1=CC=C2NCCCCCC/N=C3\C=CC=CC=C3NCCc3cccc(c3)CC/N=C/2C=C1 ZINC000073391340 JK Annotated Clean C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000073399986 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nc(C)sc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073400132 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nocc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073400135 JK Annotated Anodyne C/C(=C\C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000073400153 JK Annotated Anodyne C/C(=C\C[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000073400157 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nn(C)cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073400161 JK Annotated Anodyne CCCCCCCCCCCCO[C@@H]1[C@H](COCCN2CCCCC2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000073403769 JK Annotated Mild CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nonc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073407447 JK Annotated Anodyne CN(C)C(=O)/N=C1\SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000073409784 JK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000073409876 JK Annotated Anodyne O/C(=N\c1ccc2nc(-c3ccc(F)c(Cl)c3)nn2c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000074791717 JK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000077257068 JK Annotated Anodyne CCN1C(=O)N2Cc3cc(OC)cc(OC)c3[C@@H](C)C=C2C12CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000078938180 JK Annotated Anodyne in-vitro CCc1c(CCNCC/C=C\CCNCCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000079566642 JK Annotated Anodyne CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(NCc3ccccc3)nc(C)nc21 ZINC000008017288 JK Annotated Anodyne CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(NCc3ccccc3)nc(C)nc21 ZINC000008017297 JK Annotated Anodyne Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCCN3CCCC[C@@H]3C)c2n1 ZINC000008017399 JK Annotated Anodyne Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCCN3CCCC[C@H]3C)c2n1 ZINC000008017406 JK Annotated Anodyne O=C(NCc1ccccc1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018654 JK Annotated Reactive Cc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)o1 ZINC000008019073 JK Annotated Reactive COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)[C@H](OC)C1CCCCC1 ZINC000008019139 JK Annotated Anodyne Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@]2(C)C[C@@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)n(C)n1 ZINC000008019181 JK Annotated Anodyne C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000008019209 JK Annotated Anodyne C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1 ZINC000008019223 JK Annotated Anodyne Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@]2(C)C[C@@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1 ZINC000008019341 JK Annotated Anodyne Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1 ZINC000008019351 JK Annotated Anodyne aggregator C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccccc1 ZINC000008019381 JK Annotated Anodyne aggregator C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1ccccc1 ZINC000008019419 JK Annotated Reactive aggregator CCCC[C@H]1C[C@@H]1[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@@](O)(c2ccccc2)CC12CC2 ZINC000008019443 JK Annotated Reactive CCCC[C@H]1C[C@@H]1[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)[C@](CO)(c2ccccc2)CC12CC2 ZINC000008019456 JK Annotated Reactive COC(=O)c1ccc(C#C[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000008019498 JK Annotated Reactive COC(=O)c1ccc(C23CC2([C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C3)cc1 ZINC000008019506 JK Annotated Reactive CCC/C=C(/CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000008019629 JK Annotated Anodyne aggregator C[C@@]12C=C(/C=C/c3ccc(C(F)(F)F)cc3)[C@@](C)(C1)[C@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000008019677 JK Annotated Anodyne CCCC[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000008019698 JK Annotated Anodyne aggregator C[C@@]12C=C(/C=C/c3ccc(Br)cc3)[C@@](C)(C1)[C@H](c1ccc(Br)cc1)CC2=O ZINC000008019791 JK Annotated Anodyne aggregator C[C@]12C=C(/C=C/c3ccc(Br)cc3)[C@](C)(C1)[C@H](c1ccc(Br)cc1)CC2=O ZINC000008019801 JK Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000008020111 JK Annotated Anodyne CCOC(=O)OC[C@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000008020121 JK Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000008020132 JK Annotated Anodyne CCOC(=O)OC[C@@H]1C=C[C@H](c2cc(-c3ccccc3)ccc2O)[C@H](c2ccc(C(C)=O)cc2)O1 ZINC000008020146 JK Annotated Anodyne CCOC(=O)OC[C@H]1C=C[C@H](c2cc(-c3ccccc3)ccc2O)[C@H](c2ccc(C(C)=O)cc2)O1 ZINC000008020152 JK Annotated Anodyne CCOC(=O)OC[C@@H]1C=C[C@H](c2cc(-c3ccccc3)ccc2O)[C@@H](c2ccc(C(C)=O)cc2)O1 ZINC000008020161 JK Annotated Anodyne CCOC(=O)OC[C@H]1C=C[C@H](c2cc(-c3ccccc3)ccc2O)[C@@H](c2ccc(C(C)=O)cc2)O1 ZINC000008020171 JK Annotated Anodyne CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000008020325 JK Annotated Reactive CCCc1cc2c(n1Cc1ccc(C)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000008021693 JK Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc12 ZINC000008034774 JK Annotated Reactive COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000008035602 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035669 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035675 JK Annotated Mild Cc1cc2c(nc1C)CCCCN2C[C@H](C)O/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035741 JK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)C2 ZINC000008035753 JK Annotated Mild O=C(O)CC/C=C\CC[C@@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@@H]1N1CCCCC1 ZINC000008036051 JK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000008214939 JK Annotated Anodyne in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000008214941 JK Annotated Anodyne in-vitro CCOc1c(Cl)cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000008383673 JK Annotated Mild O=C1/C(=C/c2ccc(N3CCOCC3)o2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000008400416 JK Annotated Mild Clc1ccc(/C=C/c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccc4ccccc4c23)cc1 ZINC000008426891 JK Annotated Bother C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000008436878 JK Annotated Mild in-vitro C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000008436880 JK Annotated Mild in-vitro COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000008437400 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000008437402 JK Annotated Mild COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000008437404 JK Annotated Mild CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000008437632 JK Annotated Anodyne aggregator COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c(Br)cc1O ZINC000008440224 JK Annotated Mild CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cccc(OCC(=O)Nc4ccccc4)c3)C2=C(O)C1 ZINC000008442172 JK Annotated Mild Cc1ccc(NC(=O)COc2cccc([C@@H]3C4=C(O)CCCC4=NC4=C3C(=O)CCC4)c2)cc1Cl ZINC000008442193 JK Annotated Mild O=C(COc1ccc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1Cl)Nc1ccccc1 ZINC000008442213 JK Annotated Mild Cc1cccc(NC(=O)COc2ccc(Cl)cc2[C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c1 ZINC000008442214 JK Annotated Mild Cc1cc(NC(=O)c2coc3cc(F)c(N4C[C@H](C)N(C)[C@H](C)C4)cc23)cnc1-c1ccc(C#N)cc1 ZINC000008461946 JK Annotated Mild SC1=Nc2ccc(Br)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c2C1 ZINC000008462662 JK Annotated Anodyne CC(=O)OCC[C@@]1(C)[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C\[C@@H](C)C(C)C ZINC000081179581 JK Annotated Mild CC(=O)OCC[C@@]1(C)[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C\[C@H](C)C(C)C ZINC000081179582 JK Annotated Mild C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000081179612 JK Annotated Anodyne C/C(=C\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000081179613 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4CN(C)C(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000081182351 JK Annotated Anodyne C=C(C1=CC(=C(C#N)C#N)C=C(C(C)(C)C)O1)[N+]12CCC(C)(C)c3cccc(c31)C(C)(C)CC2 ZINC000081946241 JK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]3(C)C(C)(C)CCC[C@]23C)[C@@H]2C[C@H](O)[C@@H]3CC(=O)O[C@@H]3[C@@]12C ZINC000082047445 JK Annotated Anodyne C[C@H](CCC[C@]1(C)CCc2cc(O)ccc2O1)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000082047454 JK Annotated Anodyne CC1=C(C(=O)C/C(=N\O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[N+](=O)c2ccccc2[N+]1=O ZINC000082051138 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)c(OC)c4)Cc4ccco4)[C@H]3C[C@H]12 ZINC000082051597 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccc(OC)c(OC)c4)Cc4ccco4)[C@H]3C[C@H]12 ZINC000082051599 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C[C@H]12 ZINC000082051621 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C[C@H]12 ZINC000082051624 JK Annotated Mild Fc1cccc(Cl)c1Cn1ccc(NC(=S)Nc2ccn(Cc3c(F)cccc3Cl)n2)n1 ZINC000082051951 JK Annotated Anodyne C=C/C(=C\C=C/C)n1c(=O)c(N(C(=O)Nc2ccc(Cl)cc2)C2=NCC(=C)S2)c(C)n1C ZINC000082052241 JK Annotated Mild FC(F)(F)c1ccc(Cl)c(/N=C2\SC3(CCCCC3)CCN2Cc2ccc(Cl)cc2)c1 ZINC000082052258 JK Annotated Mild CCS/C(=N\C1CC(C)(C)NC(C)(C)C1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000082052386 JK Annotated Mild S=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@H](CBr)S/C1=N\c1ccccc1 ZINC000082052393 JK Annotated Reactive S=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@@H](CBr)S/C1=N\c1ccccc1 ZINC000082052395 JK Annotated Reactive CC(C)c1ccc(NC(=S)N2C[C@H](CI)S/C2=N\c2ccccc2)cc1 ZINC000082052413 JK Annotated Reactive CC(C)c1ccc(NC(=S)N2C[C@@H](CI)S/C2=N\c2ccccc2)cc1 ZINC000082052416 JK Annotated Reactive CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1 ZINC000082052517 JK Annotated Reactive CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1 ZINC000082052520 JK Annotated Reactive CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(C(F)(F)F)c3)C(=O)[C@@]12C ZINC000082052710 JK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(C(F)(F)F)c3)C(=O)[C@]12C ZINC000082052713 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C(C)=O)c1ccccc1 ZINC000082052764 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C(C)=O)c1ccccc1 ZINC000082052766 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccccc1)N(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000082052770 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccccc1)N(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000082052771 JK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(C(F)(F)F)cc3)C(=O)[C@@]12C ZINC000082052905 JK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000082052907 JK Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5c(C(F)(F)F)cccc45)[C@H]3C[C@H]12 ZINC000082053027 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5c(C(F)(F)F)cccc45)[C@H]3C[C@H]12 ZINC000082053029 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5c(C(F)(F)F)cccc45)[C@H]3C[C@@H]12 ZINC000082053030 JK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5c(C(F)(F)F)cccc45)[C@H]3C[C@@H]12 ZINC000082053032 JK Annotated Mild c1ccc(Nc2ccccc2Nc2nc3nonc3nc2Nc2ccccc2Nc2ccccc2)cc1 ZINC000082053245 JK Annotated Anodyne CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cccc(OCC(=O)Nc4ccccc4)c3)C2=C(O)C1 ZINC000082055608 JK Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000082055614 JK Annotated Mild Cc1cccc(NC(=O)COc2ccc(Cl)cc2[C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c1 ZINC000082055621 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)O ZINC000082055642 JK Annotated Mild COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)O ZINC000082055643 JK Annotated Mild CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000082055644 JK Annotated Mild CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)O ZINC000082055647 JK Annotated Mild CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)O ZINC000082055648 JK Annotated Mild CCOc1c(Cl)cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000082055671 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c(Br)cc1O ZINC000082055689 JK Annotated Mild Cc1ccc(NC(=O)COc2cccc([C@H]3C4=C(O)CCCC4=NC4=C3C(=O)CCC4)c2)cc1Cl ZINC000082055695 JK Annotated Mild O=C(COc1ccc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1Cl)Nc1ccccc1 ZINC000082055700 JK Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1OCc1ccc(C(=O)O)cc1 ZINC000082055913 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1OCc1ccc(C(=O)O)cc1 ZINC000082055914 JK Annotated Mild Cc1ccsc1[C@@H](C#N)NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000082065278 JK Annotated Mild Cc1ccsc1[C@H](C#N)NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000082065280 JK Annotated Mild Cc1ccsc1[C@@H](C#N)NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000082065281 JK Annotated Mild Cc1ccsc1[C@H](C#N)NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000082065282 JK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065778 JK Annotated Mild CCN(c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065784 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2CCCCC2)n1 ZINC000082065787 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065793 JK Annotated Mild CCCN(CC1CC1)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065794 JK Annotated Anodyne CCN(c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065796 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065802 JK Annotated Mild CCN(c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065806 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065808 JK Annotated Anodyne CCN(c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065815 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065821 JK Annotated Mild CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CC)C2CCCCC2)n1 ZINC000082065825 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065826 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065832 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065837 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065841 JK Annotated Mild CCCN(CC1CC1)c1nc(NCc2ccc(Cl)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065843 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065846 JK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065847 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082065852 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065857 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065864 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065865 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065866 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065875 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065876 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065886 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065887 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065894 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065895 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065896 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065897 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082065902 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082065904 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065913 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065914 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065917 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065918 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065927 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065928 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065933 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065942 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065943 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065944 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065947 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065948 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065957 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065958 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065959 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065960 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065961 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065962 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065963 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065974 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065985 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065986 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065987 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066003 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000082066005 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000082066006 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066010 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066011 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066012 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CC=CCC3)n2)cc1 ZINC000082066018 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CC=CCC3)n2)cc1 ZINC000082066021 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066025 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066026 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066027 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CC=CCC3)n2)cc1 ZINC000082066039 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066041 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066047 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066049 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066050 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066061 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066062 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCc3ccccc3C2)n1 ZINC000082066074 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066075 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066076 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066077 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066078 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@@H](C)C2)n1 ZINC000082066084 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000082066085 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000082066087 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066088 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066089 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CC=CCC3)n2)cc1 ZINC000082066090 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCCC3)n2)cc1 ZINC000082066092 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066093 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066094 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066095 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066096 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066097 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066110 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066111 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066120 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066121 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066128 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066138 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066139 JK Annotated Anodyne CCN(CC)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066141 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066146 JK Annotated Anodyne CCN(CC)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066149 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066156 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066164 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066166 JK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066170 JK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066173 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066182 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066185 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CC)Cc2ccccc2)n1 ZINC000082066193 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066194 JK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066195 JK Annotated Mild CCCCN(Cc1ccccc1)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 ZINC000082066198 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 ZINC000082066201 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066202 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066213 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066216 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066219 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066221 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066223 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066227 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CC(C)C)CC(C)C)n1 ZINC000082066230 JK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066232 JK Annotated Mild CCCCN(Cc1ccccc1)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066235 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066239 JK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066244 JK Annotated Mild CCN(Cc1ccccc1)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066250 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066259 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066267 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066270 JK Annotated Anodyne C=CCN(C)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066274 JK Annotated Mild COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066278 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066280 JK Annotated Anodyne C=CCN(C)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066284 JK Annotated Mild CCCCCCN(C)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066287 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066291 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066294 JK Annotated Anodyne CCCCCCN(C)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066305 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066310 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066311 JK Annotated Anodyne C=CCN(c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066330 JK Annotated Mild CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1 ZINC000082066334 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066336 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(C)C(C)C)n2)cc1 ZINC000082066342 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066348 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(C)C(C)C)n2)cc1 ZINC000082066354 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066359 JK Annotated Anodyne C=CCN(c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066363 JK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066368 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066376 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066377 JK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(C)Cc2ccccc2)n1 ZINC000082066379 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066381 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066386 JK Annotated Anodyne CCN(c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066398 JK Annotated Anodyne COc1ccc(Oc2nc(NC3CCCCC3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066409 JK Annotated Mild CCN(c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066416 JK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066422 JK Annotated Mild CCCN(CC1CC1)c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1 ZINC000082066424 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066449 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066450 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066457 JK Annotated Anodyne CCN(c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066461 JK Annotated Anodyne CCN(c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066462 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066464 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066469 JK Annotated Mild COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066470 JK Annotated Mild COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066480 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066522 JK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066526 JK Annotated Anodyne C=C(C)CN(CC)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066527 JK Annotated Mild CCN(c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066528 JK Annotated Anodyne CCN(c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066529 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066531 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066532 JK Annotated Anodyne CCN(c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066556 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066561 JK Annotated Mild C=C(C)CN(CC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066572 JK Annotated Mild COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066574 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066575 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066580 JK Annotated Mild CCCN(CC1CC1)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066581 JK Annotated Anodyne CCCN(CC1CC1)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066582 JK Annotated Anodyne CCN(c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066586 JK Annotated Anodyne CCN(c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066587 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066595 JK Annotated Mild COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066596 JK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066602 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066603 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066611 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066612 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066613 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066619 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066621 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066644 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066647 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1 ZINC000082066659 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1 ZINC000082066660 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066690 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066691 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066695 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066696 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066698 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066703 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066704 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066706 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066707 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066722 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066724 JK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066728 JK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066729 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066742 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066743 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066772 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066773 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066804 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066805 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066806 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066807 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066811 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066812 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066813 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066822 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066823 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066855 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066871 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066872 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066873 JK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066883 JK Annotated Anodyne CC[C@H]1CCCCN1c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066886 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066892 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066893 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066913 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066919 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066920 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066925 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066926 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066929 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066930 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066941 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066975 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066981 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066982 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066988 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066995 JK Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066996 JK Annotated Mild CCCCN(Cc1ccccc1)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067017 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067019 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067025 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067034 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067037 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067038 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067039 JK Annotated Anodyne CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000082067042 JK Annotated Anodyne CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000082067043 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067046 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067047 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067053 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067054 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067066 JK Annotated Anodyne CCCCN(CC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067071 JK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067072 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067084 JK Annotated Anodyne CCN(Cc1ccccc1)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067085 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067100 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067101 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067108 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067109 JK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067114 JK Annotated Mild COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067118 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067119 JK Annotated Anodyne COc1ccc(Oc2nc(NC3CCCCC3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067125 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067158 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067159 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067162 JK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067164 JK Annotated Mild COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067170 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067171 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067178 JK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067188 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067201 JK Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067202 JK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067211 JK Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067214 JK Annotated Anodyne C=CCN(c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067218 JK Annotated Mild C=CCN(c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067219 JK Annotated Mild C=CCN(C)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067220 JK Annotated Mild COc1ccc(Oc2nc(NCCCCCO)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067225 JK Annotated Anodyne C=CCN(c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067228 JK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067232 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067233 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067235 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067248 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067249 JK Annotated Anodyne CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000082067256 JK Annotated Anodyne CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000082067257 JK Annotated Anodyne C=CCN(c1nc(NC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067259 JK Annotated Mild C=CCN(c1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067260 JK Annotated Mild C=CCN(c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067282 JK Annotated Mild COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067285 JK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067286 JK Annotated Anodyne CCCCCCN(C)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067289 JK Annotated Anodyne CCCCCCN(C)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067290 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067301 JK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067302 JK Annotated Anodyne COc1ccc(CCNc2cc(Oc3cccc4cccnc34)ncn2)cc1Br ZINC000082067388 JK Annotated Anodyne COc1cc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)cc(OC)c1OC ZINC000082067434 JK Annotated Anodyne COc1ccc(CCNc2cc(Oc3ccc(OC)c4ccccc34)ncn2)cc1Br ZINC000082067475 JK Annotated Anodyne C/C(=N/Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000082068061 JK Annotated Mild FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCCC4=CCCCC4)n3)cc2)cc1 ZINC000082068429 JK Annotated Anodyne Fc1ccc(CCNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)cc1 ZINC000082068438 JK Annotated Anodyne CC(C)(CO)CCCNc1cncc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000082068447 JK Annotated Anodyne COc1cc(CCNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(OC)c1 ZINC000082068470 JK Annotated Anodyne COc1ccccc1CCNc1cncc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000082068483 JK Annotated Anodyne CCCCOCCCNc1cncc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000082068564 JK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000082068586 JK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)c1OC ZINC000082068587 JK Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)c1OC ZINC000082068590 JK Annotated Anodyne COc1cccc(CNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000082068595 JK Annotated Anodyne c1ccc(Nc2cccc(Oc3cncc(NCCc4ccc(Oc5ccccc5)cc4)n3)c2)cc1 ZINC000082068609 JK Annotated Anodyne c1ccc(Oc2ccc(CCNc3cncc(Oc4ccc(-n5cncn5)cc4)n3)cc2)cc1 ZINC000082068611 JK Annotated Anodyne c1ccc(CNc2ccc(Oc3cncc(NCCc4ccc(Oc5ccccc5)cc4)n3)cc2)cc1 ZINC000082068612 JK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)c1OC ZINC000082068650 JK Annotated Mild c1ccc(Oc2ccc(CCNc3cncc(Oc4ccc5oc6ccccc6c5c4)n3)cc2)cc1 ZINC000082068679 JK Annotated Anodyne C[C@@H]1C[C@H](Nc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)CC(C)(C)C1 ZINC000082068708 JK Annotated Anodyne C[C@H]1C[C@H](Nc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)CC(C)(C)C1 ZINC000082068709 JK Annotated Anodyne C[C@@H]1C[C@@H](Nc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)CC(C)(C)C1 ZINC000082068710 JK Annotated Anodyne C[C@H]1C[C@@H](Nc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)CC(C)(C)C1 ZINC000082068711 JK Annotated Anodyne Cc1ccc(Oc2cncc(NC[C@]3(C)C[C@H](O)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068774 JK Annotated Anodyne Cc1ccc(Oc2cncc(NC[C@@]3(C)C[C@H](O)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068775 JK Annotated Anodyne Cc1ccc(Oc2cncc(NC[C@]3(C)C[C@@H](O)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068776 JK Annotated Anodyne Cc1ccc(Oc2cncc(NC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068777 JK Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000082068782 JK Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000082068783 JK Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000082068784 JK Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000082068785 JK Annotated Anodyne c1ccc(CNc2ccc(Oc3cncc(NCC(c4ccccc4)c4ccccc4)n3)cc2)cc1 ZINC000082068796 JK Annotated Anodyne Cc1ccc(Oc2cncc(NC3CCCCCCCCCCC3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068802 JK Annotated Anodyne FC(F)(F)c1cc(Oc2cncc(NC3CCCCCCCCCCC3)n2)cc(C(F)(F)F)c1 ZINC000082068804 JK Annotated Anodyne c1ccc(CNc2ccc(Oc3cncc(NC4CCCCCCCCCCC4)n3)cc2)cc1 ZINC000082068805 JK Annotated Anodyne COc1ccc(Oc2cncc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2ccccc12 ZINC000082068902 JK Annotated Anodyne FC(F)(F)c1cc(CNc2cncc(Oc3cccc4cccnc34)n2)cc(C(F)(F)F)c1 ZINC000082068903 JK Annotated Anodyne N#Cc1ccc(-c2ccc(Oc3cncc(NCC(c4ccccc4)c4ccccc4)n3)cc2)cc1 ZINC000082068904 JK Annotated Mild c1ccc(C(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)c2ccccc2)cc1 ZINC000082068906 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)co2)cc1 ZINC000082069314 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCc4ccco4)C3)co2)cc1 ZINC000082069315 JK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cs1 ZINC000082069412 JK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)cs1 ZINC000082069413 JK Annotated Anodyne CCC#CCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc(OCCCCCC)cc3)n2)C1 ZINC000082069578 JK Annotated Mild CCC#CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc(OCCCCCC)cc3)n2)C1 ZINC000082069579 JK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCC(C)(C)N(C)C)C3)co2)cc1 ZINC000082069582 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C3)co2)cc1 ZINC000082069583 JK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCC3CCCCC3)C2)cs1 ZINC000082069702 JK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCC3CCCCC3)C2)cs1 ZINC000082069703 JK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)NCCC3=CCCCC3)cc2)cs1 ZINC000082069768 JK Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3OCC)n2)cc1 ZINC000082069769 JK Annotated Anodyne CCCCOCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3OCC)n2)cc1 ZINC000082069923 JK Annotated Anodyne CCCCNC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070203 JK Annotated Anodyne CCCCNC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070204 JK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCCCC1 ZINC000082070209 JK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCCCC1 ZINC000082070210 JK Annotated Anodyne CCC#CCOC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070377 JK Annotated Mild CCC#CCOC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070378 JK Annotated Mild C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCC1CCCCC1 ZINC000082070550 JK Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCC1CCCCC1 ZINC000082070551 JK Annotated Anodyne CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071649 JK Annotated Anodyne CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071652 JK Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NCCC1=CCCCC1 ZINC000082072013 JK Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)OCCC1CCCCC1 ZINC000082072373 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCc3ccccn3)co2)cc1 ZINC000082073370 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCc3ccccn3)co2)cc1 ZINC000082073372 JK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2)n1 ZINC000082074141 JK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2)n1 ZINC000082074144 JK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCCC2=CCCCC2)cs1 ZINC000082074763 JK Annotated Anodyne CCCCOCCCNC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082074765 JK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCC2CCCCC2)cs1 ZINC000082074774 JK Annotated Anodyne CCCCN(CCCC)CCNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074939 JK Annotated Anodyne CCCCOCCOC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082075103 JK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCCC2CCCCC2)cs1 ZINC000082075109 JK Annotated Anodyne COc1cc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)cc(C(F)(F)F)c1 ZINC000082078095 JK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(N/C(O)=N/c2ccccc2-c2ccccc2)n1 ZINC000082078229 JK Annotated Mild N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(N/C(O)=N/c2ccccc2-c2ccccc2)n1 ZINC000082078231 JK Annotated Mild N[C@H](Cc1ccc(Cl)cc1)c1csc(N/C(O)=N/c2ccccc2Oc2ccccc2)n1 ZINC000082078564 JK Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(N/C(O)=N/c2ccccc2Oc2ccccc2)n1 ZINC000082078567 JK Annotated Anodyne CN(C)CC/N=C(\O)c1cccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)c1 ZINC000082078732 JK Annotated Anodyne CN(C)CC/N=C(\O)c1cccc(-c2ccnc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)c1 ZINC000082079042 JK Annotated Mild C[C@]1(/C(O)=N/c2cccc(Oc3ccccc3)c2)Cc2c(-c3cccc(C(=N)O)c3)ccnc2O1 ZINC000082079083 JK Annotated Mild C[C@@]1(/C(O)=N/c2cccc(Oc3ccccc3)c2)Cc2c(-c3cccc(C(=N)O)c3)ccnc2O1 ZINC000082079086 JK Annotated Mild COc1cc(-c2nc3ccc(N/C(O)=N/c4cccc(C(F)(F)F)c4)cn3n2)cc(OC)c1OC ZINC000082079148 JK Annotated Mild COc1cc(/C(O)=N/c2ccc3nc(-c4cccc(C(F)(F)F)c4)nn3c2)cc(OC)c1OC ZINC000082079250 JK Annotated Mild O=C(N[C@@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082081115 JK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082081116 JK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081288 JK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081289 JK Annotated Anodyne O=C(OCCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081506 JK Annotated Bother O=C(OCCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081507 JK Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCC4CCCCC4)C3)cs2)c1 ZINC000082081564 JK Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCC4CCCCC4)C3)cs2)c1 ZINC000082081565 JK Annotated Anodyne O=C(OCCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081614 JK Annotated Bother O=C(OCCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081615 JK Annotated Bother O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082081665 JK Annotated Bother CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000082081690 JK Annotated Anodyne O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081724 JK Annotated Bother O=C(NCC1CCCCC1)c1ccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)cc1 ZINC000082081741 JK Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(OC(F)(F)F)c4)cn23)cc1 ZINC000082081776 JK Annotated Anodyne CNc1nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081787 JK Annotated Anodyne CNc1nc2cnc(Nc3cccc(Oc4ccccc4)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081829 JK Annotated Anodyne CNc1nc2cnc(Nc3ccc(C(F)(F)F)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082081969 JK Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(Oc5ccccc5)c4)cn23)cc1 ZINC000082082051 JK Annotated Anodyne CNc1nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082082072 JK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000082082317 JK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000082082318 JK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(C)C ZINC000082082430 JK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(C)C ZINC000082082431 JK Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)OCCC3CCCCC3)C(C)C)cs2)c1 ZINC000082082628 JK Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)OCCC3CCCCC3)C(C)C)cs2)c1 ZINC000082082630 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc3c(Nc4cccc(Oc5ccccc5)c4)nccc3n2C)cc1 ZINC000082082856 JK Annotated Anodyne COc1cc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)cc(OC)c1OC ZINC000082082873 JK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc3cnc(Nc4cccc(O)c4)cc3n2Cc2ccccc2)cc1 ZINC000082083627 JK Annotated Anodyne COc1cc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)cc(OC)c1OC ZINC000082083800 JK Annotated Anodyne COc1cccc(Nc2cc3c(cn2)cc(-c2ccc(C(=O)N(C)C)cc2)n3Cc2ccccc2)c1 ZINC000082083948 JK Annotated Anodyne CS(=O)(=O)c1cccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)c1 ZINC000082083950 JK Annotated Anodyne CS(=O)(=O)Nc1cccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)c1 ZINC000082084009 JK Annotated Anodyne CS(=O)(=O)c1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)cc1 ZINC000082084063 JK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C(O)=N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@@]12C(O)=Nc1ccccc12 ZINC000082084173 JK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cccs2)n1 ZINC000082084501 JK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cccs2)n1 ZINC000082084502 JK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCC1CCCCC1)c1coc(-c2cccs2)n1 ZINC000082084511 JK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCC1CCCCC1)c1coc(-c2cccs2)n1 ZINC000082084512 JK Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084672 JK Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084673 JK Annotated Mild O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1coc(-c2cccs2)n1 ZINC000082084704 JK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1coc(-c2cccs2)n1 ZINC000082084705 JK Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084712 JK Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084713 JK Annotated Mild CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085396 JK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085397 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082086457 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082086458 JK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082086465 JK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(O)=N2)N2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@@]12C(O)=Nc1ccccc12 ZINC000082087972 JK Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C(O)=N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@@]12C(O)=Nc1ccccc12 ZINC000082087973 JK Annotated Anodyne O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2CCCN2[C@@]2(C(O)=Nc3ccc(F)cc32)[C@]12C(O)=Nc1ccccc12 ZINC000082087974 JK Annotated Anodyne FC(F)(F)c1cc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)cc(C(F)(F)F)c1 ZINC000082087995 JK Annotated Anodyne FC(F)(F)c1cc(CNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)cc(C(F)(F)F)c1 ZINC000082087997 JK Annotated Anodyne c1ccc(Nc2cccc(Oc3cncc(NCC(c4ccccc4)c4ccccc4)n3)c2)cc1 ZINC000082088000 JK Annotated Anodyne Cc1ccc(Oc2cncc(NCC(c3ccccc3)c3ccccc3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082088001 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000082088076 JK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000082088077 JK Annotated Anodyne CN(CC(=O)NCC1CCCCC1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082088093 JK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO ZINC000082104542 JK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCc3cccc4ccccc34)c2cc1OC ZINC000082119773 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c([C@@]4(C)C=C[C@@H](C(C)C)CC4)cc23)O1 ZINC000082123074 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c([C@]4(C)C=C[C@@H](C(C)C)CC4)cc23)O1 ZINC000082123078 JK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1OC/C(O)=N/c1cccc(C)c1 ZINC000082124024 JK Annotated Mild CCCC[C@@H](CC)CNc1nc(NCc2cccc3ccccc23)c2cc(OC)c(OC)cc2n1 ZINC000082125009 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2cccc3ccccc23)c2cc(OC)c(OC)cc2n1 ZINC000082125011 JK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCc3cccc4ccccc34)c2cc1OC ZINC000082125016 JK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCc3cccc4ccccc34)c2cc1OC ZINC000082125019 JK Annotated Anodyne COc1cc2nc(NCCc3ccc(O)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082125987 JK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082126282 JK Annotated Anodyne CCN(CC)CCCNc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OC)c(OC)cc2n1 ZINC000082126285 JK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126370 JK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126373 JK Annotated Anodyne COc1cc2nc(NCCCCc3ccccc3)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126387 JK Annotated Anodyne COc1cc2nc(NCCCCc3ccccc3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126390 JK Annotated Anodyne COc1ccccc1CCNc1nc(NC[C@H](C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082126406 JK Annotated Anodyne COc1ccccc1CCNc1nc(NC[C@@H](C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082126411 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccccc2OC)c2cc(OC)c(OC)cc2n1 ZINC000082126470 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccccc2OC)c2cc(OC)c(OC)cc2n1 ZINC000082126474 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2cccc(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082126510 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2cccc(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082126512 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OC)c(OC)cc2n1 ZINC000082126551 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2cccc(C(F)(F)F)c2)c2cc(OC)c(OC)cc2n1 ZINC000082126554 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082126626 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082126629 JK Annotated Anodyne COc1ccc(CCNc2nc(NC[C@H](C)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000082126663 JK Annotated Anodyne COc1ccc(CCNc2nc(NC[C@@H](C)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000082126667 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NC[C@@H](C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082126678 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NC[C@@H](C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082126681 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NC[C@H](C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082126684 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NC[C@H](C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082126687 JK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126699 JK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126701 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2cccc(OC)c2OC)nc2cc(OC)c(OC)cc12 ZINC000082127718 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2cccc(OC)c2OC)nc2cc(OC)c(OC)cc12 ZINC000082127719 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(O)cc2)nc2cc(OC)c(OC)cc12 ZINC000082127730 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(O)cc2)nc2cc(OC)c(OC)cc12 ZINC000082127732 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082128022 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082128024 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2cccc(C(F)(F)F)c2)nc2cc(OC)c(OC)cc12 ZINC000082128034 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2cccc(C(F)(F)F)c2)nc2cc(OC)c(OC)cc12 ZINC000082128038 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082128051 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082128054 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCCc2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128056 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCCc2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128059 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccccc2OC)nc2cc(OC)c(OC)cc12 ZINC000082128076 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccccc2OC)nc2cc(OC)c(OC)cc12 ZINC000082128078 JK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCc3ccc(O)cc3)c2cc1OC ZINC000082128196 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128249 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128251 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCN(C)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128252 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCN(C)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128253 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128276 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128278 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccccc2OC)c2cc(OC)c(OC)cc2n1 ZINC000082128331 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccccc2OC)c2cc(OC)c(OC)cc2n1 ZINC000082128334 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2cccc(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082128353 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2cccc(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082128355 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082128376 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082128378 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(O)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082128431 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(O)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082128433 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128703 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128705 JK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082129063 JK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082129065 JK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCCC(C)(C)C)c2cc1OC ZINC000082129087 JK Annotated Anodyne COc1cc2nc(NCCc3ccc(O)cc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129187 JK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCC(C)(C)C)c2cc1OC ZINC000082129268 JK Annotated Anodyne COc1cc2nc(NCCCCc3ccccc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082129283 JK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCCCCc3ccccc3)c2cc1OC ZINC000082129306 JK Annotated Anodyne COc1cccc(CCNc2nc(NCc3c(F)cccc3F)c3cc(OC)c(OC)cc3n2)c1 ZINC000082129318 JK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129328 JK Annotated Anodyne CCN(CC)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082129329 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082129493 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082129498 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2c(F)cccc2F)c2cc(OC)c(OC)cc2n1 ZINC000082129523 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2c(F)cccc2F)c2cc(OC)c(OC)cc2n1 ZINC000082129525 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccc(C(F)(F)F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082129548 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccc(C(F)(F)F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082129549 JK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCc3ccc(C)cc3)c2cc1OC ZINC000082130220 JK Annotated Anodyne COc1cc2nc(NCc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000082130441 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2cccc(OC)c2OC)c2cc(OC)c(OC)cc2n1 ZINC000082130642 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2cccc(OC)c2OC)c2cc(OC)c(OC)cc2n1 ZINC000082130644 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082130714 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082130717 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCN(C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082130738 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCN(C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082130739 JK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCCC(C)C)c2cc1OC ZINC000082130761 JK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCCc3ccc(Cl)cc3Cl)c2cc1OC ZINC000082131611 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082131684 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082131686 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082131771 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082131772 JK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccccc2Cl)c2cc(OC)c(OC)cc2n1 ZINC000082131795 JK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccccc2Cl)c2cc(OC)c(OC)cc2n1 ZINC000082131797 JK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCc3ccccc3Cl)c2cc1OC ZINC000082131802 JK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCc3ccccc3Cl)c2cc1OC ZINC000082131806 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)cc1OC ZINC000082132582 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)cc1OC ZINC000082132585 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)cc1OC ZINC000082132587 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)cc1OC ZINC000082132589 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132693 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)cc1 ZINC000082132879 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082133226 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082133270 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 ZINC000082133773 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 ZINC000082133798 JK Annotated Anodyne CCCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134289 JK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134293 JK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134301 JK Annotated Bother CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134304 JK Annotated Bother CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134324 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134439 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134459 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134463 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082134481 JK Annotated Bother CC1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134519 JK Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134658 JK Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134660 JK Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134662 JK Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134665 JK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134778 JK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134781 JK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134784 JK Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134786 JK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134789 JK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134791 JK Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134902 JK Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134904 JK Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134907 JK Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134910 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082134928 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082134931 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082134934 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082134936 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134954 JK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135012 JK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135015 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000082135017 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135076 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135078 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135081 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135083 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135096 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135099 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135101 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135103 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082135186 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135226 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135228 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135232 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135234 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135320 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135321 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135322 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135325 JK Annotated Bother CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000082135346 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135367 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135370 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135371 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135372 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135374 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135434 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135435 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135436 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135437 JK Annotated Bother CN(C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000082135469 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135471 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135482 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082135530 JK Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135558 JK Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135559 JK Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135560 JK Annotated Bother CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135575 JK Annotated Bother CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135588 JK Annotated Bother CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135590 JK Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135607 JK Annotated Bother CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135608 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082135623 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135628 JK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135777 JK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135778 JK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135779 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135828 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135829 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135830 JK Annotated Bother CC1CCN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135842 JK Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135910 JK Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135913 JK Annotated Bother CC(C)CN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135914 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135950 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135951 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135953 JK Annotated Bother CC(C)CN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135954 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135961 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135963 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135967 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136046 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136052 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136053 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136054 JK Annotated Bother CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082136056 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136067 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136068 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136069 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136070 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136072 JK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136103 JK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136104 JK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136105 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136175 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(F)cc3)n2)o1 ZINC000082136202 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc(F)cc2)n1 ZINC000082136206 JK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082136270 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082136271 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082136272 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082136274 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082136307 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)o1 ZINC000082136329 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082136331 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082136333 JK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082136340 JK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCCOC(C)C)c2cc1OC ZINC000082137196 JK Annotated Anodyne CCNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000082137877 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)C1 ZINC000082139355 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)C1 ZINC000082139356 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)C1 ZINC000082139357 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139358 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139359 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139437 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139521 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000082139529 JK Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000082139533 JK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139549 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082139599 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082139600 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082139601 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082139603 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139657 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082139957 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082139962 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082139963 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)C1 ZINC000082140152 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)C1 ZINC000082140155 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)C1 ZINC000082140158 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)C1 ZINC000082140161 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082140487 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082140490 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C1 ZINC000082140492 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)CC1 ZINC000082140535 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082140569 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(F)cc3)n2)o1 ZINC000082140655 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082140667 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 ZINC000082140749 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)n1 ZINC000082140752 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 ZINC000082140756 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082140829 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082140831 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082140834 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc(F)cc2)n1 ZINC000082141259 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(F)cc3)n2)o1 ZINC000082141318 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082141345 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141519 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141521 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141522 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 ZINC000082141536 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000082141740 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccco2)n1 ZINC000082141996 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082142019 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)cc1 ZINC000082142039 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccco1 ZINC000082142112 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccco1 ZINC000082142114 JK Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccco1 ZINC000082142116 JK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccco1 ZINC000082142117 JK Annotated Anodyne COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)cc1 ZINC000082142262 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)cc1 ZINC000082142265 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccco2)C1 ZINC000082142376 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccco2)C1 ZINC000082142378 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccco2)C1 ZINC000082142380 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccco2)C1 ZINC000082142383 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccco1 ZINC000082142489 JK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCC2CCCCC2)nc1-c1ccco1 ZINC000082142788 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccco1 ZINC000082142856 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccco1 ZINC000082142863 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccco1 ZINC000082142877 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccco1 ZINC000082142907 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccco1 ZINC000082142926 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccco2)n1 ZINC000082143053 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccco3)n2)cc1OC ZINC000082143078 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000082143239 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000082143242 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000082143244 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000082143246 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143609 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143610 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000082144114 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000082144117 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000082144119 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2CCC(C)CC2)cc(OC)c1OC ZINC000082144146 JK Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144196 JK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144199 JK Annotated Anodyne O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)C1=C(O)CCCC1=N2 ZINC000082144533 JK Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000082144709 JK Annotated Anodyne C=CCc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(OC)c1OCc1ccc(F)cc1 ZINC000082144959 JK Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)ccc1OC1CCCC1 ZINC000082145042 JK Annotated Mild Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145049 JK Annotated Anodyne Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145050 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000082145087 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145160 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145162 JK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000082145172 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000082145189 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000082145192 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000082145194 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000082145196 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145381 JK Annotated Mild Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145383 JK Annotated Mild Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)c1 ZINC000082145495 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)c1 ZINC000082145497 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc(C)c1 ZINC000082145500 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082145742 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082145747 JK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc(C)c2)C1 ZINC000082145846 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc(C)c2)C1 ZINC000082145850 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc(C)c2)C1 ZINC000082145854 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000082145913 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000082145918 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 ZINC000082146130 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 ZINC000082146133 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 ZINC000082146139 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082146292 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2)c1 ZINC000082146524 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2)c1 ZINC000082146530 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000082146534 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000082146537 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146598 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146601 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146606 JK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000082147046 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082147119 JK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082147123 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147164 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147167 JK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147511 JK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147517 JK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147521 JK Annotated Anodyne CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147622 JK Annotated Bother CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147625 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082147814 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082147819 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082147853 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082147856 JK Annotated Bother CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147874 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082147918 JK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082147921 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147950 JK Annotated Bother CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148049 JK Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148053 JK Annotated Bother CC1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148152 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148374 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148375 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148376 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148379 JK Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148394 JK Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148397 JK Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148400 JK Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148405 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148486 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148489 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148493 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148497 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148500 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148529 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148577 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148580 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148583 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148653 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148656 JK Annotated Bother CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000082148755 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148761 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148828 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148831 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148835 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148848 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148852 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148857 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148859 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148872 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149077 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149079 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149080 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149081 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149156 JK Annotated Bother CCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000082149158 JK Annotated Anodyne CCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3cccs3)c(-c3cccs3)nc2n1 ZINC000082149160 JK Annotated Anodyne [O-][n+]1ccc2c(-c3ccccc3Cl)cc(C3CCNCC3)nc2c1-c1c(F)cccc1F ZINC000082149194 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149478 JK Annotated Bother CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149481 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082149632 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082149635 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149845 JK Annotated Bother O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 ZINC000082149961 JK Annotated Bother O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)cc1 ZINC000082149965 JK Annotated Anodyne CCCCCCCCCCCCO[C@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082149967 JK Annotated Mild CCCCCCCCCCCCCO[C@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082149970 JK Annotated Mild Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082150030 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150108 JK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082150121 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150138 JK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150147 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150194 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150200 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150266 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150270 JK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150274 JK Annotated Bother CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082150308 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)o1 ZINC000082150372 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)o1 ZINC000082150504 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)o1 ZINC000082150507 JK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000082150567 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150608 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150610 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150645 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150650 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082150706 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082150710 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)CC1 ZINC000082150716 JK Annotated Anodyne Cc1nc2ccccc2c2nc(Oc3ccc([N+](=O)[O-])cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c12 ZINC000082150776 JK Annotated Bother CC1(C)O[C@H]2[C@@H]3C[C@@H]([C@@H](OC(=O)c4ccccc4-c4ccccc4)CN3CCCc3ccccc3)[C@H]2O1 ZINC000082150962 JK Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O1)[C@@H]1C[C@H]2[C@@H](OC(=O)c2ccccc2-c2ccccc2)CN1CCCc1ccccc1 ZINC000082150965 JK Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccccc1F ZINC000082151278 JK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082151281 JK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082151285 JK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151394 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151395 JK Annotated Anodyne CC(=O)c1ccc(Oc2c(-c3ccc4ccccc4c3)nc3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000082151613 JK Annotated Anodyne COc1c2c(c(OC)c3ccccc13)[C@@H]1[C@H](CO2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000082151752 JK Annotated Anodyne COc1ccc2c(c1)C[C@@H]1[C@H](/C=C/c3ccccc3)c3cc(OC)ccc3O[C@]1(c1ccccc1)O2 ZINC000082151852 JK Annotated Anodyne Clc1ccc(C2=CCN([C@@H]3c4ccccc4C[C@@H]3Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000082151883 JK Annotated Anodyne Clc1ccc(C2=CCN([C@@H]3c4ccccc4C[C@H]3Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000082151884 JK Annotated Anodyne Clc1ccc(C2=CCN([C@H]3c4ccccc4C[C@@H]3Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000082151886 JK Annotated Anodyne Clc1ccc(C2=CCN([C@H]3c4ccccc4C[C@H]3Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000082151890 JK Annotated Anodyne COc1ccc(Nc2ncccc2-c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)cc1 ZINC000082151992 JK Annotated Anodyne CCCCCCCCCCCCCO[C@@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082151999 JK Annotated Mild CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000082152086 JK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)CC1 ZINC000082152088 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082152154 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082152156 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)o1 ZINC000082152208 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082152291 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082152293 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082152404 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082152407 JK Annotated Anodyne CCCCCCC[n+]1c(/C=C/c2ccc(N(CCCC)CCCC)cc2)sc2ccccc21 ZINC000082152448 JK Annotated Mild CN(C)c1ccc(/C=C/c2sc3ccc(Cc4ccccc4)c(Cc4ccccc4)c3[n+]2C)cc1 ZINC000082152453 JK Annotated Clean CCOC(=O)Nc1cc(NCCCCN(CC)CC)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000082152881 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)C[C@@H](n4cc(-c5ccc(C)cc5)nn4)[C@@H]32)C1 ZINC000082152931 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082153379 JK Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082153382 JK Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082153384 JK Annotated Mild CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153406 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000082153415 JK Annotated Mild c1ccc(CCCN2CCC[C@H](COCc3cn(Cc4ccccc4-c4ccccc4)nn3)C2)cc1 ZINC000082153475 JK Annotated Anodyne c1ccc(CCCN2CCC[C@@H](COCc3cn(Cc4ccccc4-c4ccccc4)nn3)C2)cc1 ZINC000082153481 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)C[C@@H](n4cc(-c5ccccc5)nn4)[C@@H]32)C1 ZINC000082153817 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082153920 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082153924 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082153926 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000082153958 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)C[C@@H](n4cc(-c5ccc(F)cc5)nn4)[C@@H]32)C1 ZINC000082154034 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@H](n5cc(-c6ccc(C)cc6)nn5)CC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000082154039 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082154073 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082154077 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082154080 JK Annotated Anodyne CC(=N/NC(=O)COc1ccc2ccccc2c1)/C(Cl)=N\Nc1ccc(Br)cc1 ZINC000082154157 JK Annotated Reactive CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(Cl)=N\Nc1ccc(Br)cc1 ZINC000082154163 JK Annotated Reactive CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082154261 JK Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(-c2n[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000082154337 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082154373 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082154434 JK Annotated Mild CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082154435 JK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082154533 JK Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082154536 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154541 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154544 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154548 JK Annotated Mild O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000082154550 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154551 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082154666 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082154669 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154827 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154829 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154832 JK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154835 JK Annotated Mild CCCCCCCCCCCCO[C@@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082154950 JK Annotated Mild CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)CO1 ZINC000082155329 JK Annotated Anodyne COCCCN(C(=O)/C=C/c1ccc(-n2cnc(C)c2)c(OC)c1)c1cccc2ccccc12 ZINC000082155921 JK Annotated Anodyne COc1cc2c(cc1OCCCCCN1C(=O)c3cccc4cccc1c34)N=C[C@@H]1CCCN1C2=O ZINC000082156077 JK Annotated Anodyne COc1cc2c(cc1OCCCCCCN1C(=O)c3cccc4cccc1c34)N=C[C@@H]1CCCN1C2=O ZINC000082156080 JK Annotated Anodyne Clc1ccccc1[C@@H]1ONC2=C1[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]21 ZINC000082156367 JK Annotated Anodyne Clc1ccccc1[C@@H]1ONC2=C1[C@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CCCC[C@H]21 ZINC000082156370 JK Annotated Anodyne CC(C)CC[C@@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(F)(F)C1 ZINC000082156890 JK Annotated Anodyne CC(C)CC[C@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(F)(F)C1 ZINC000082156893 JK Annotated Anodyne O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 ZINC000082157148 JK Annotated Bother O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)c1 ZINC000082157150 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2sc3cc(Cc4ccccc4)c(Cc4ccccc4)cc3[n+]2C)cc1 ZINC000082157194 JK Annotated Clean CN(C)c1ccc(/C=C/c2sc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3[n+]2C)cc1 ZINC000082157196 JK Annotated Clean CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000082157267 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@H](n5cc(-c6ccc(F)cc6)nn5)CC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000082157428 JK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000082157561 JK Annotated Bother Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 ZINC000082157866 JK Annotated Bother Nc1nc(-c2ccc(Br)cc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 ZINC000082157868 JK Annotated Anodyne CC(C)=CC/C(C)=C/CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2)c1O ZINC000082158123 JK Annotated Mild CCN(CC)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000082158170 JK Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000082158172 JK Annotated Anodyne Cc1cc([C@H](NC(=O)[C@@H](N)[C@@H](C)c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc2)ccn1 ZINC000082158221 JK Annotated Anodyne Cc1cc([C@@H](NC(=O)[C@@H](N)[C@@H](C)c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc2)ccn1 ZINC000082158222 JK Annotated Anodyne Ic1ccccc1-c1nsc(-c2ccccc2I)n1 ZINC000082158269 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1ccccc1Cl)c1ccc(OC)cc1 ZINC000082158289 JK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(OC)cc1 ZINC000082158290 JK Annotated Anodyne O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000082158403 JK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc(F)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082158472 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082158536 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082158538 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082158540 JK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082158541 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158554 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158555 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158556 JK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158557 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158572 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158573 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158574 JK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158575 JK Annotated Mild CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000082158584 JK Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(C#N)cc1 ZINC000082158585 JK Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082158606 JK Annotated Mild CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(C#N)cc1 ZINC000082158739 JK Annotated Mild CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(C#N)cc1 ZINC000082158740 JK Annotated Mild CC(C)CN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000082158848 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082158863 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082158865 JK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082158867 JK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082158892 JK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082158906 JK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082158907 JK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082158908 JK Annotated Mild CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(C#N)cc3)n2)CC1 ZINC000082158922 JK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082158937 JK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(C#N)cc1 ZINC000082158946 JK Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082158949 JK Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082158950 JK Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082158951 JK Annotated Mild CCN(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082158986 JK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082159030 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F ZINC000082159031 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082159032 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159041 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159042 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159052 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159053 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159054 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159055 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159067 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159068 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159083 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159084 JK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2F)n1 ZINC000082159093 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159100 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159120 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159121 JK Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159145 JK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159207 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159208 JK Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159230 JK Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159237 JK Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082159258 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159263 JK Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159264 JK Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159277 JK Annotated Mild CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159294 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159295 JK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159296 JK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159334 JK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159335 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082159338 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082159372 JK Annotated Anodyne CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159375 JK Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159404 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159415 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159417 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159476 JK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082159477 JK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082159478 JK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082159479 JK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc(C#N)cc2)C1 ZINC000082159480 JK Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082159577 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082159578 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082159579 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159691 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159692 JK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159693 JK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159734 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159756 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159784 JK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159796 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159797 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159812 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082159836 JK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082159837 JK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082159894 JK Annotated Mild CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2F)n1 ZINC000082159918 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159936 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159938 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082159984 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F ZINC000082159990 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C1 ZINC000082159997 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C1 ZINC000082159999 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3F)n2)C1 ZINC000082160000 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000082160099 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000082160100 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082160107 JK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082160108 JK Annotated Mild CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(C#N)cc1 ZINC000082160131 JK Annotated Mild CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082160145 JK Annotated Bother CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082160146 JK Annotated Bother Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082160167 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082160168 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2)oc1C ZINC000082162465 JK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 ZINC000082162466 JK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082162469 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082162480 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 ZINC000082162481 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082162482 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162483 JK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082162490 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccccc3)s2)cc1 ZINC000082162492 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccccc3)s2)c1 ZINC000082162503 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccccc3)s2)cc1 ZINC000082162504 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)o1 ZINC000082162505 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082162514 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082162516 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccccc3)s2)c1 ZINC000082162525 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccccc3)s2)c1 ZINC000082162573 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccccc3)s2)c1 ZINC000082162574 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccccc3)s2)c1 ZINC000082162575 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccccc3)s2)c1 ZINC000082162576 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccccc3)s2)cc1 ZINC000082162577 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccccc3)s2)c1 ZINC000082162592 JK Annotated Anodyne CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082162597 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccccc3)s2)c1 ZINC000082162618 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccccc3)s2)cc1Cl ZINC000082162622 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162624 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162627 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C ZINC000082162639 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C ZINC000082162642 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082162658 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082162659 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3)s2)cc1 ZINC000082162665 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3)s2)cc1 ZINC000082162666 JK Annotated Anodyne Clc1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)c1 ZINC000082162697 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccccc3)s2)cc1 ZINC000082162701 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162703 JK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)cc1 ZINC000082162710 JK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082162719 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccccc3)s2)cc1Cl ZINC000082162748 JK Annotated Anodyne c1ccc(OCCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082162764 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccccc3)s2)c1 ZINC000082162918 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccccc3)s2)cc1Cl ZINC000082162923 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccccc3)s2)c1 ZINC000082163013 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccccc3)s2)c1 ZINC000082163016 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccccc3)s2)c1 ZINC000082163018 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccccc3)s2)cc1 ZINC000082163020 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccccc3)s2)cc1 ZINC000082163022 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccccc3)s2)cc1 ZINC000082163024 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C1 ZINC000082163026 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C1 ZINC000082163029 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C1 ZINC000082163031 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccccc3)s2)c1 ZINC000082163075 JK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)CC1 ZINC000082163080 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)c1OC ZINC000082163082 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccccc2)oc1C ZINC000082163088 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)c1OC ZINC000082163090 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)c1OC ZINC000082163099 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)c1 ZINC000082163104 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)c1 ZINC000082163119 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)cc(OC)c1 ZINC000082163122 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc(OC)c1 ZINC000082163139 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)cc1 ZINC000082163143 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163155 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2)s1 ZINC000082163167 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2)sc1C ZINC000082163168 JK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)c1 ZINC000082163174 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2)s1 ZINC000082163175 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2)sc1C ZINC000082163177 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)cc1OC ZINC000082163183 JK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccccc2)s1 ZINC000082163184 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)cc1OC ZINC000082163185 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082163187 JK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)c1 ZINC000082163198 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccccc3)s2)cc1 ZINC000082163202 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082163204 JK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082163211 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccccc3)s2)cc1 ZINC000082163214 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082163252 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082163253 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccccc3)s2)cc1 ZINC000082163264 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccccc3)s2)cc1Cl ZINC000082163265 JK Annotated Anodyne CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(I)cc3)C2=C(O)C1 ZINC000082163272 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccccc3)s2)c1 ZINC000082163276 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccccc3)s2)cc1 ZINC000082163277 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082163295 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccccc3)s2)cc1 ZINC000082163297 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2)oc1C ZINC000082163302 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccccc3)s2)c1 ZINC000082163319 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccccc3)s2)cc1 ZINC000082163320 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082163343 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2)n1 ZINC000082163344 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccccc2)oc1C ZINC000082163347 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082163351 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccccc3)s2)cc1 ZINC000082163353 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082163354 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2)oc1C ZINC000082163358 JK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163362 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccccc3)s2)cc1 ZINC000082163363 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)cc1 ZINC000082163364 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccccc3)s2)cc1 ZINC000082163385 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163413 JK Annotated Bother CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163414 JK Annotated Bother CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163416 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163419 JK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163423 JK Annotated Bother Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163425 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163428 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163429 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163432 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163442 JK Annotated Bother Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082163444 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163447 JK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082163451 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163452 JK Annotated Bother COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163462 JK Annotated Bother Cc1oc(-c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163464 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163471 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163473 JK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163474 JK Annotated Bother Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163475 JK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163476 JK Annotated Bother Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163477 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163486 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163487 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163488 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163489 JK Annotated Bother C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163502 JK Annotated Bother C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163503 JK Annotated Bother C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163504 JK Annotated Bother C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163505 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163519 JK Annotated Bother CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163524 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082163538 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082163539 JK Annotated Bother CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163540 JK Annotated Bother CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163541 JK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163542 JK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163544 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163565 JK Annotated Bother CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163567 JK Annotated Bother Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163572 JK Annotated Bother CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163574 JK Annotated Bother CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163576 JK Annotated Bother Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163577 JK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163587 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163589 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082163590 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163595 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163598 JK Annotated Bother CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163605 JK Annotated Bother CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163606 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2nc3ccccc3s2)c1 ZINC000082163626 JK Annotated Bother CCc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163627 JK Annotated Bother Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163628 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163651 JK Annotated Bother Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163671 JK Annotated Bother Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163672 JK Annotated Bother Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163673 JK Annotated Bother CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163680 JK Annotated Bother CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163681 JK Annotated Bother CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163682 JK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163692 JK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163693 JK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163694 JK Annotated Bother Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163708 JK Annotated Bother CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082163718 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163720 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163727 JK Annotated Bother COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082163729 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163734 JK Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000082163735 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163741 JK Annotated Bother COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000082163742 JK Annotated Bother CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163746 JK Annotated Bother CCOc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163749 JK Annotated Bother CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163751 JK Annotated Bother CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163753 JK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082163765 JK Annotated Bother Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163768 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163771 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163772 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163775 JK Annotated Bother Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163776 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163781 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc3ccccc3s2)c1 ZINC000082163782 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163785 JK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163803 JK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163804 JK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163805 JK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163806 JK Annotated Bother Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163809 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163812 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163816 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163823 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3F)ncc2-c2nc3ccccc3s2)c1 ZINC000082163824 JK Annotated Bother Cc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163839 JK Annotated Bother Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163841 JK Annotated Bother CCc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163849 JK Annotated Bother Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163852 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163857 JK Annotated Bother Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163860 JK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163864 JK Annotated Bother COc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163909 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163911 JK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163923 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163924 JK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163925 JK Annotated Bother COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163941 JK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163946 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163952 JK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163955 JK Annotated Bother Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163960 JK Annotated Bother CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163985 JK Annotated Bother CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163988 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(F)cc2)oc1C ZINC000082163995 JK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2nc3ccccc3s2)cc1 ZINC000082163996 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164044 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164050 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082164054 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164078 JK Annotated Anodyne Fc1ccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164084 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164104 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(F)cc2)n1 ZINC000082164123 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164125 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164127 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164144 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164147 JK Annotated Anodyne Fc1ccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164149 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164230 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164233 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164243 JK Annotated Anodyne CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164248 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164267 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164269 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164270 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C ZINC000082164280 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C ZINC000082164283 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082164285 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082164288 JK Annotated Anodyne CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1OC ZINC000082164302 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082164306 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082164308 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164334 JK Annotated Anodyne Fc1ccc(-c2nc(NCC3CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164338 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(F)cc2)oc1C ZINC000082164346 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164357 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082164364 JK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164365 JK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164370 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164397 JK Annotated Anodyne Fc1ccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164401 JK Annotated Anodyne Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164402 JK Annotated Anodyne Fc1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082164415 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164442 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164445 JK Annotated Anodyne Fc1ccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164521 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164535 JK Annotated Anodyne Fc1ccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164538 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164617 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164620 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164623 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164655 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164657 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164687 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164692 JK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082164695 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)c1OC ZINC000082164709 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccc(F)cc2)s1 ZINC000082164711 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)c1OC ZINC000082164714 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccc(F)cc2)s1 ZINC000082164740 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)c1 ZINC000082164742 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccc(F)cc2)s1 ZINC000082164755 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000082164756 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164759 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164770 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccc(F)cc2)s1 ZINC000082164779 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccc(F)cc2)sc1C ZINC000082164780 JK Annotated Anodyne Fc1ccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082164788 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccc(F)cc2)s1 ZINC000082164790 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082164797 JK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(F)cc2)s1 ZINC000082164801 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082164804 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164807 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)oc1C ZINC000082164812 JK Annotated Anodyne Fc1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082164819 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164822 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(F)cc2)oc1C ZINC000082164828 JK Annotated Anodyne Fc1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082164834 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(F)cc2)n1 ZINC000082164868 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(F)cc2)n1 ZINC000082164870 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164878 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164880 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164897 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164899 JK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082164913 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164917 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164919 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccc(F)cc2)oc1C ZINC000082164922 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164929 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164931 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164958 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164982 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(F)cc2)n1 ZINC000082165040 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082165046 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082165050 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc(F)cc2)oc1C ZINC000082165060 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082165071 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082165076 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082165085 JK Annotated Anodyne Fc1ccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082165100 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165106 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082165115 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165127 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165136 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082165143 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165153 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082165160 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(F)cc2)n1 ZINC000082165191 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082165195 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccco2)oc1C ZINC000082165206 JK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 ZINC000082165208 JK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 ZINC000082165217 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 ZINC000082165275 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1 ZINC000082165277 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165279 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccco3)s2)cc1 ZINC000082165303 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165328 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccco3)s2)c1 ZINC000082165346 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)o1 ZINC000082165348 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165367 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccco3)s2)c1 ZINC000082165385 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165391 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccco3)s2)c1 ZINC000082165441 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccco3)s2)c1 ZINC000082165442 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccco3)s2)c1 ZINC000082165443 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccco3)s2)c1 ZINC000082165445 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165453 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165454 JK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165455 JK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165456 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccco3)s2)c1 ZINC000082165468 JK Annotated Anodyne CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165474 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccco3)s2)c1 ZINC000082165493 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165498 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165500 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165503 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082165530 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082165532 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccco3)s2)cc1 ZINC000082165538 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccco3)s2)cc1 ZINC000082165540 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccco3)s2)cc1 ZINC000082165594 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165600 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccco2)oc1C ZINC000082165607 JK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082165613 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccco3)s2)cc1 ZINC000082165617 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccco3)s2)cc1 ZINC000082165655 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccco3)s2)c1 ZINC000082165694 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccco3)s2)c1 ZINC000082165697 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccco3)s2)cc1Cl ZINC000082165703 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccco3)s2)cc1Cl ZINC000082165706 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165772 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165797 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccco3)s2)c1 ZINC000082165858 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccco3)s2)c1 ZINC000082165860 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccco3)s2)c1 ZINC000082165862 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C1 ZINC000082165868 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C1 ZINC000082165870 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C1 ZINC000082165872 JK Annotated Anodyne OC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)CC1 ZINC000082165897 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccco3)s2)c1 ZINC000082165916 JK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)CC1 ZINC000082165920 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)c1OC ZINC000082165924 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccco2)oc1C ZINC000082165931 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)c1OC ZINC000082165933 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)c1OC ZINC000082165940 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)c1 ZINC000082165944 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccco2)oc1C ZINC000082165951 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)c1 ZINC000082165959 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)cc(OC)c1 ZINC000082165964 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccco2)oc1C ZINC000082165970 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc(OC)c1 ZINC000082165980 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)cc1 ZINC000082165985 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OCC)cc3)nc2-c2ccco2)oc1C ZINC000082165992 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082165998 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccco3)n2)cc1 ZINC000082166000 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082166002 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccco2)oc1C ZINC000082166008 JK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 ZINC000082166010 JK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082166014 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082166016 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccco2)oc1C ZINC000082166023 JK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)c1 ZINC000082166025 JK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)c1 ZINC000082166031 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)cc1OC ZINC000082166033 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccco2)oc1C ZINC000082166038 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1OC ZINC000082166040 JK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccco2)s1 ZINC000082166043 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)cc1OC ZINC000082166045 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1OC ZINC000082166047 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccco3)s2)cc1 ZINC000082166065 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccco3)s2)cc1 ZINC000082166088 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccco3)s2)c1 ZINC000082166164 JK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccco3)s2)cc1Cl ZINC000082166176 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccco3)s2)c1 ZINC000082166209 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccco3)s2)cc1 ZINC000082166212 JK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082166215 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccco3)s2)cc1 ZINC000082166246 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000082166249 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 ZINC000082166308 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 ZINC000082166329 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccco3)s2)cc1 ZINC000082166334 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082166338 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccco2)oc1C ZINC000082166347 JK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082166358 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccco3)s2)cc1 ZINC000082166364 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)cc1 ZINC000082166369 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082166388 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccco3)n2)cc1 ZINC000082166395 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccco3)s2)c1 ZINC000082166421 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccco3)s2)cc1 ZINC000082166424 JK Annotated Anodyne CCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166482 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCCC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166490 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166505 JK Annotated Anodyne CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166527 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166529 JK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166532 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166542 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166551 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166554 JK Annotated Anodyne COc1cc(-c2nc(NC3CCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166557 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166568 JK Annotated Anodyne COc1cc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166579 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C)o3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166601 JK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166604 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166620 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166652 JK Annotated Anodyne CCc1cnc(-c2cnc(NC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166656 JK Annotated Anodyne COc1cc(-c2nc(NC3CCCCC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166657 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166685 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166688 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166691 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166694 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166711 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166712 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166715 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166720 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166722 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166728 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166730 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166733 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166735 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166737 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166738 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166741 JK Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166755 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166769 JK Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166782 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166791 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166796 JK Annotated Anodyne CCc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166801 JK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166803 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166811 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166812 JK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166815 JK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166818 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCC3CC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166852 JK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166885 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166935 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166941 JK Annotated Anodyne COc1cc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166945 JK Annotated Anodyne COc1cc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166948 JK Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167042 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167052 JK Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082167069 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082167147 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082167151 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082167153 JK Annotated Anodyne CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167156 JK Annotated Anodyne CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167158 JK Annotated Anodyne CCc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167161 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167164 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167167 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167168 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167194 JK Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082167196 JK Annotated Anodyne CCc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167198 JK Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167201 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000082167216 JK Annotated Anodyne COc1cc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167228 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167231 JK Annotated Anodyne COc1cc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167232 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccccc3F)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167234 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167239 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccccc3F)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167240 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167242 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167244 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167253 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167254 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167261 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167262 JK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3F)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167279 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167282 JK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3F)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167283 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167285 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167288 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167289 JK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)cc3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167294 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167299 JK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)cc3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167300 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167318 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167319 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(C)cc3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167329 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(C)cc3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167330 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167332 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167334 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc(C)c2)oc1C ZINC000082167338 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082167357 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082167359 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc(C)c2)n1 ZINC000082167376 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082167379 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082167383 JK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082167388 JK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082167390 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167393 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082167396 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082167411 JK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082167413 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cccc(C)c3)s2)c1 ZINC000082167422 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082167423 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082167436 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082167438 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082167447 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082167448 JK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082167449 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171896 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082171898 JK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082171900 JK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082171901 JK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082171979 JK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082171981 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082171983 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082171985 JK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082172068 JK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082172071 JK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082172154 JK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082172158 JK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172483 JK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172485 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082172785 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082172787 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082172789 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082172791 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082172872 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082172874 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082172875 JK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082172876 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082172987 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082172989 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082172991 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082172993 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000082173025 JK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173029 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173033 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173038 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)oc1C ZINC000082173049 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)oc1C ZINC000082173051 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)c1 ZINC000082173054 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)c1 ZINC000082173055 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173066 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173067 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173068 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173071 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173074 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082173075 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173094 JK Annotated Anodyne Cc1cccc(-c2nc(NCC3CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173100 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173102 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc(C)c2)oc1C ZINC000082173112 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173122 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173126 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082173133 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2nc3ccccc3s2)c1 ZINC000082173136 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173143 JK Annotated Anodyne Cc1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173166 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173212 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173215 JK Annotated Anodyne Cc1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173225 JK Annotated Anodyne Cc1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173228 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc(C)c2)oc1C ZINC000082173236 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173297 JK Annotated Anodyne Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173301 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173327 JK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173331 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173432 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173435 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173437 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173468 JK Annotated Anodyne Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173474 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173495 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173498 JK Annotated Anodyne Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173499 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2cccc(C)c2)s1 ZINC000082173512 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)c1OC ZINC000082173514 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cccc(C)c2)s1 ZINC000082173533 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)c1 ZINC000082173536 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cccc(C)c2)s1 ZINC000082173554 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000082173556 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173562 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OCC)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082173569 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173570 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173577 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc(C)c2)s1 ZINC000082173595 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173598 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2nc3ccccc3s2)c1 ZINC000082173607 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc(C)c2)s1 ZINC000082173609 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173611 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082173621 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082173625 JK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc(C)c2)s1 ZINC000082173627 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082173629 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173633 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc(C)c2)oc1C ZINC000082173641 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173650 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173656 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173658 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc(C)c2)oc1C ZINC000082173665 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173677 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173683 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082173717 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082173720 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082173726 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082173728 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173745 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3F)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173753 JK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173773 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc(C)c2)n1 ZINC000082173784 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2cccc(C)c2)oc1C ZINC000082173791 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 ZINC000082173801 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc(C)c2)oc1C ZINC000082173814 JK Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082173887 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082173906 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082173910 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc(C)c2)n1 ZINC000082173911 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2cccc(C)c2)oc1C ZINC000082173919 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 ZINC000082173931 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173935 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082173940 JK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173947 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173952 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082173976 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082174012 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174040 JK Annotated Bother CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174042 JK Annotated Bother CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174050 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174059 JK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174068 JK Annotated Bother Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174072 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174078 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174080 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174083 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174103 JK Annotated Bother Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082174106 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174115 JK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082174123 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174126 JK Annotated Bother COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174147 JK Annotated Bother Cc1oc(-c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174150 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174166 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174173 JK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174175 JK Annotated Bother Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174177 JK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174179 JK Annotated Bother Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174181 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174202 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174204 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174206 JK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174208 JK Annotated Bother C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174227 JK Annotated Bother C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174229 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174270 JK Annotated Bother CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174280 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082174317 JK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082174320 JK Annotated Bother CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174321 JK Annotated Bother CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174324 JK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174326 JK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174329 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174365 JK Annotated Bother CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174370 JK Annotated Bother Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174380 JK Annotated Bother CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174385 JK Annotated Bother CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174388 JK Annotated Bother Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174391 JK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174416 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174418 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082174419 JK Annotated Bother Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174421 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174429 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174436 JK Annotated Bother CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174450 JK Annotated Bother CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174452 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174480 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174482 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174539 JK Annotated Bother Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174587 JK Annotated Bother Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174589 JK Annotated Bother Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174590 JK Annotated Bother CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174604 JK Annotated Bother CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174606 JK Annotated Bother CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174608 JK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174631 JK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174632 JK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174634 JK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082174643 JK Annotated Bother Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174647 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174654 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174656 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174662 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174670 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174672 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174678 JK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174714 JK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174716 JK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174719 JK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174723 JK Annotated Bother Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174733 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174741 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174749 JK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174751 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174759 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174781 JK Annotated Bother Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174808 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174814 JK Annotated Bother Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174816 JK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174824 JK Annotated Bother COc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174870 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174871 JK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174887 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174889 JK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174891 JK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174899 JK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174901 JK Annotated Bother Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174909 JK Annotated Bother CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174936 JK Annotated Bother CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174940 JK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)oc1C ZINC000082174952 JK Annotated Anodyne Fc1ccccc1-c1nc(NCc2ccccc2C(F)(F)F)ncc1-c1nc2ccccc2s1 ZINC000082174956 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)s1 ZINC000082174959 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082174986 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2F)n1 ZINC000082175017 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175023 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2F)oc1C ZINC000082175030 JK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082175040 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccccc3F)s2)c1 ZINC000082175068 JK Annotated Anodyne Fc1ccccc1-c1nc(NC2CCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175074 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccccc3F)s2)cc1 ZINC000082175103 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082175126 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175132 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccccc3F)s2)c1 ZINC000082175160 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccccc3F)s2)cc1 ZINC000082175273 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccccc3F)s2)cc1 ZINC000082175275 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccccc3F)s2)cc1 ZINC000082175278 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccccc3F)s2)cc1 ZINC000082175281 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccccc3F)s2)c1 ZINC000082175320 JK Annotated Anodyne CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175326 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccccc3F)s2)cc1 ZINC000082175348 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175352 JK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175355 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C ZINC000082175367 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C ZINC000082175369 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082175374 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082175377 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082175391 JK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082175395 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccccc3F)s2)c1 ZINC000082175421 JK Annotated Anodyne Fc1ccccc1-c1nc(NCC2CC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175427 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175431 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2F)oc1C ZINC000082175439 JK Annotated Anodyne Fc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082175451 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175457 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2F)oc1C ZINC000082175467 JK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082175481 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccccc3F)s2)c1 ZINC000082175509 JK Annotated Anodyne Fc1ccccc1-c1nc(N2CCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175517 JK Annotated Anodyne Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175520 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2F)oc1C ZINC000082175529 JK Annotated Anodyne Fc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082175540 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccccc3F)s2)c1 ZINC000082175588 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccccc3F)s2)c1 ZINC000082175591 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2F)oc1C ZINC000082175612 JK Annotated Anodyne Fc1ccccc1-c1nc(N2CCOCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175669 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccccc3F)s2)c1 ZINC000082175691 JK Annotated Anodyne Fc1ccccc1-c1nc(N2CCCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175693 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccccc3F)s2)cc1 ZINC000082175787 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccccc3F)s2)cc1 ZINC000082175788 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccccc3F)s2)cc1 ZINC000082175789 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccccc3F)s2)c1 ZINC000082175808 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccccc3F)s2)cc1 ZINC000082175810 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccccc3F)s2)c1 ZINC000082175824 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccccc3F)s2)cc1 ZINC000082175825 JK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)CC1 ZINC000082175826 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccccc2F)s1 ZINC000082175838 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)c1OC ZINC000082175841 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccccc2F)s1 ZINC000082175855 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccccc2F)s1 ZINC000082175873 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000082175875 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)cc1 ZINC000082175878 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OCC)cc3)nc2-c2ccccc2F)oc1C ZINC000082175882 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082175889 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2F)oc1C ZINC000082175893 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2F)s1 ZINC000082175898 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2F)sc1C ZINC000082175899 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2F)oc1C ZINC000082175901 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2F)s1 ZINC000082175904 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2F)sc1C ZINC000082175906 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3F)n2)cc1OC ZINC000082175912 JK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccccc2F)s1 ZINC000082175916 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)cc1OC ZINC000082175917 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175920 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)oc1C ZINC000082175925 JK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)c1 ZINC000082175932 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175934 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2F)oc1C ZINC000082175938 JK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082175945 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082175969 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082175970 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175974 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175975 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccccc3F)s2)c1 ZINC000082175993 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175999 JK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082176015 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 ZINC000082176018 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccccc2F)oc1C ZINC000082176025 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082176035 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccccc3F)s2)cc1 ZINC000082176037 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2F)oc1C ZINC000082176045 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)cc1 ZINC000082176054 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082176070 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccccc3F)s2)cc1 ZINC000082176074 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082176113 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082176116 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 ZINC000082176117 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccccc2F)oc1C ZINC000082176124 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082176133 JK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082176137 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)oc1C ZINC000082176143 JK Annotated Anodyne Fc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1nc2ccccc2s1 ZINC000082176144 JK Annotated Anodyne Fc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082176149 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)cc1 ZINC000082176154 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccccc2F)oc1C ZINC000082176163 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082176171 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)cc1 ZINC000082176175 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccccc2F)oc1C ZINC000082176180 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082176190 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccccc3F)s2)cc1 ZINC000082176195 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082176211 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082176215 JK Annotated Anodyne CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176254 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176256 JK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176257 JK Annotated Anodyne Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176265 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176267 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176274 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176276 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082176295 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176301 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082176303 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176306 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082176308 JK Annotated Anodyne COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176312 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176374 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176376 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176378 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176380 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176382 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176385 JK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176387 JK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176391 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176393 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176395 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176398 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176401 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176402 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176404 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176405 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176407 JK Annotated Anodyne Cc1oc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176415 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176421 JK Annotated Anodyne CC(C)CN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176423 JK Annotated Anodyne CC(C)CN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176426 JK Annotated Anodyne CCc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176446 JK Annotated Anodyne Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176452 JK Annotated Anodyne Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176454 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176457 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176459 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176470 JK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176471 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176473 JK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176476 JK Annotated Anodyne Cc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176498 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176501 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176507 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176510 JK Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176513 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176515 JK Annotated Anodyne Cc1oc(-c2cnc(N3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176523 JK Annotated Anodyne c1ccc(-c2ccc(-c3nc(N4CCCC4)ncc3-c3ncc(-c4ccccc4)s3)cc2)cc1 ZINC000082176539 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000082176544 JK Annotated Anodyne Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176550 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176557 JK Annotated Anodyne Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176559 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176634 JK Annotated Anodyne c1ccc(-c2ccc(-c3nc(N4CCOCC4)ncc3-c3nc4ccccc4s3)cc2)cc1 ZINC000082176636 JK Annotated Anodyne Cc1oc(-c2cnc(N3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176646 JK Annotated Anodyne c1ccc(-c2ccc(-c3nc(N4CCCCC4)ncc3-c3ncc(-c4ccccc4)s3)cc2)cc1 ZINC000082176659 JK Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176669 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176700 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176702 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176705 JK Annotated Anodyne CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176706 JK Annotated Anodyne CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176707 JK Annotated Anodyne CCc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176708 JK Annotated Anodyne Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176709 JK Annotated Anodyne Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176710 JK Annotated Anodyne Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176712 JK Annotated Anodyne Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176737 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176742 JK Annotated Anodyne CC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000082176743 JK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000082176748 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000082176752 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000082176762 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000082176770 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176777 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176780 JK Annotated Anodyne Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176802 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176805 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176811 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176813 JK Annotated Anodyne Cc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176819 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176821 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176826 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176838 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176839 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176844 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176846 JK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176848 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176872 JK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176876 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176883 JK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176884 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176892 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176900 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176903 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176924 JK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176927 JK Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176930 JK Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176945 JK Annotated Anodyne COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176949 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176964 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176968 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176969 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176971 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176978 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176981 JK Annotated Anodyne Cc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176983 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176984 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176987 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176989 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176992 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176999 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177001 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177007 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177010 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082177012 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177013 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082177035 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2C)oc1C ZINC000082177042 JK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177068 JK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2C)n1 ZINC000082177096 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccccc3C)s2)cc1 ZINC000082177098 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccccc3C)s2)c1 ZINC000082177116 JK Annotated Anodyne Cc1ccccc1-c1nc(NC2CCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177119 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccccc3C)s2)c1 ZINC000082177140 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccccc3C)s2)cc1 ZINC000082177142 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177164 JK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082177166 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccccc3C)s2)c1 ZINC000082177188 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177190 JK Annotated Anodyne Cc1ccccc1-c1nc(NC2CCCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177191 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccccc3C)s2)cc1 ZINC000082177263 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccccc3C)s2)cc1 ZINC000082177268 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccccc3C)s2)cc1 ZINC000082177270 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccccc3C)s2)cc1 ZINC000082177273 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccccc3C)s2)c1 ZINC000082177294 JK Annotated Anodyne Cc1ccccc1-c1nc(N(C)CC(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177296 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177307 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccccc3C)s2)c1 ZINC000082177321 JK Annotated Anodyne Cc1ccccc1-c1nc(NCC2CC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177323 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177324 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2C)oc1C ZINC000082177329 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177334 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccccc3C)s2)cc1 ZINC000082177335 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(C(C)(C)C)cc2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177336 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2C)oc1C ZINC000082177339 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(C(C)(C)C)cc2)ncc1-c1nc2ccccc2s1 ZINC000082177340 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(C(C)(C)C)cc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177343 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccccc3C)s2)c1 ZINC000082177355 JK Annotated Anodyne Cc1ccccc1-c1nc(N2CCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177357 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177358 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177365 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccccc3C)s2)c1 ZINC000082177384 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccccc3C)s2)c1 ZINC000082177385 JK Annotated Anodyne Cc1ccccc1-c1nc(NC[C@@H]2CCCO2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177388 JK Annotated Anodyne Cc1ccccc1-c1nc(NC[C@H]2CCCO2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177389 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2C)oc1C ZINC000082177395 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccccc3C)s2)c1 ZINC000082177420 JK Annotated Anodyne Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177422 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccccc3C)s2)c1 ZINC000082177431 JK Annotated Anodyne Cc1ccccc1-c1nc(N2CCCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177433 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccccc3C)s2)cc1 ZINC000082177482 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccccc3C)s2)cc1 ZINC000082177483 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccccc3C)s2)cc1 ZINC000082177484 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccccc3C)s2)c1 ZINC000082177496 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177497 JK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177498 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccccc3C)s2)c1 ZINC000082177507 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177508 JK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC(C)CC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177509 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3C)n2)c1OC ZINC000082177514 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccccc2C)s1 ZINC000082177515 JK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)c1OC ZINC000082177516 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccccc2C)s1 ZINC000082177523 JK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)c1 ZINC000082177524 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccccc2C)s1 ZINC000082177532 JK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000082177533 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)cc1 ZINC000082177535 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OCC)cc3)nc2-c2ccccc2C)oc1C ZINC000082177538 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3C)n2)cc1 ZINC000082177539 JK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177542 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(OC(F)(F)F)cc2)ncc1-c1nc2ccccc2s1 ZINC000082177548 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2C)s1 ZINC000082177549 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(OC(F)(F)F)cc2)ncc1-c1nc(C)c(C)s1 ZINC000082177550 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3C)n2)cc1OC ZINC000082177554 JK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccccc2C)s1 ZINC000082177555 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)cc1OC ZINC000082177556 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2cccc(F)c2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177558 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2C)oc1C ZINC000082177561 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2cccc(F)c2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177565 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccccc3C)s2)cc1 ZINC000082177567 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccccc2F)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177568 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2C)oc1C ZINC000082177571 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccccc2F)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177575 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccccc3C)s2)cc1 ZINC000082177577 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177594 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177595 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082177598 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082177599 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccccc3C)s2)c1 ZINC000082177608 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccccc3C)s2)cc1 ZINC000082177609 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2F)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177611 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2F)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177625 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccccc3C)s2)cc1 ZINC000082177628 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2C)n1 ZINC000082177629 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccccc2C)oc1C ZINC000082177632 JK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 ZINC000082177636 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccccc3C)s2)cc1 ZINC000082177638 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2C)oc1C ZINC000082177642 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccccc3C)s2)cc1 ZINC000082177667 JK Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082177687 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177699 JK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082177702 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2C)n1 ZINC000082177703 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccccc2C)oc1C ZINC000082177708 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 ZINC000082177709 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=S)NC)CC(C)(C)O2 ZINC000082177710 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=S)NC)CC(C)(C)O2 ZINC000082177711 JK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 ZINC000082177714 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177716 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2C)oc1C ZINC000082177719 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1nc2ccccc2s1 ZINC000082177721 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177724 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)cc1 ZINC000082177726 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccccc2C)oc1C ZINC000082177729 JK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177735 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)cc1 ZINC000082177737 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccccc2C)oc1C ZINC000082177740 JK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177745 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccccc3C)s2)cc1 ZINC000082177747 JK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082177763 JK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000082177775 JK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082177784 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082177805 JK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082177806 JK Annotated Anodyne CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000082177823 JK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000082177845 JK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000082177848 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082177867 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCc1ccccn1 ZINC000082177880 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCN1CCCCC1 ZINC000082178002 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCc1ccccn1 ZINC000082178006 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@@H]1CCCN1C ZINC000082178009 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@H]1CCCN1C ZINC000082178011 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCN1CCCC1=O ZINC000082178015 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082178115 JK Annotated Anodyne CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082178116 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082178241 JK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082178243 JK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCN2CCCCC2)c1 ZINC000082178299 JK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)c1 ZINC000082178304 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178306 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178315 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178318 JK Annotated Anodyne c1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCN2CCCCC2)cc1 ZINC000082178353 JK Annotated Clean c1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)cc1 ZINC000082178360 JK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178367 JK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178368 JK Annotated Clean O=C(OCCCCn1c(-c2ccsc2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178441 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178474 JK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178482 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178490 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178492 JK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178542 JK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178595 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178691 JK Annotated Anodyne FC(F)(F)c1cccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)c1 ZINC000082178744 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccs3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082178783 JK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccs3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082178784 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccs3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082178785 JK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccs3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082178786 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178861 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178862 JK Annotated Anodyne FC(F)(F)c1cccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)c1 ZINC000082178889 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCN2CCCCC2)o1 ZINC000082178912 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCc2ccccn2)o1 ZINC000082178917 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082178921 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082178924 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178938 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178939 JK Annotated Anodyne CC(C)Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCN1CCCCC1 ZINC000082178944 JK Annotated Anodyne CC(C)Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCc1ccccn1 ZINC000082178948 JK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178968 JK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178969 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCc1ccccn1 ZINC000082179032 JK Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179086 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179128 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3CCN2CCCCC2)cc1 ZINC000082179130 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179137 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179138 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3CCCN2CCCC2=O)cc1 ZINC000082179141 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179143 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179154 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179162 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179163 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCN2CCCCC2)cc1 ZINC000082179179 JK Annotated Clean Cc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)cc1 ZINC000082179183 JK Annotated Clean CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179184 JK Annotated Clean Cc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179186 JK Annotated Clean Cc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179187 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179188 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179189 JK Annotated Clean Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179232 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179246 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179248 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179256 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179257 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179272 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179286 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CCc2ccccc2)n3CCN2CCCCC2)cc1 ZINC000082179302 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@@H](C)c2ccccc2)n3CCN2CCCCC2)cc1 ZINC000082179316 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@H](C)c2ccccc2)n3CCN2CCCCC2)cc1 ZINC000082179317 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@@H](C)c2ccccc2)n3CCc2ccccn2)cc1 ZINC000082179328 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@H](C)c2ccccc2)n3CCc2ccccn2)cc1 ZINC000082179329 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@@H](C)c2ccccc2)n3CCCN2CCCC2=O)cc1 ZINC000082179343 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@H](C)c2ccccc2)n3CCCN2CCCC2=O)cc1 ZINC000082179344 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179388 JK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179416 JK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3C[C@@H]2CCCO2)c1 ZINC000082179490 JK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3C[C@H]2CCCO2)c1 ZINC000082179491 JK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3CCc2ccccn2)c1 ZINC000082179492 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179495 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179496 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179505 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179507 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179508 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179516 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179520 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179521 JK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@@H]2CCCO2)c1 ZINC000082179526 JK Annotated Clean Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@H]2CCCO2)c1 ZINC000082179527 JK Annotated Clean CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179529 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179533 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179534 JK Annotated Clean Fc1cccc(CCNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)c1 ZINC000082179581 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179590 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179591 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179597 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1)c1ccccc1 ZINC000082179659 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1)c1ccccc1 ZINC000082179660 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1)c1ccccc1 ZINC000082179661 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1)c1ccccc1 ZINC000082179662 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082179663 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082179664 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082179669 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082179670 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082179671 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082179672 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179726 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179757 JK Annotated Anodyne COc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179777 JK Annotated Anodyne Clc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179820 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179823 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179824 JK Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179831 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179835 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179839 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179840 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179848 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179852 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179853 JK Annotated Anodyne CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179863 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179868 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179870 JK Annotated Clean O=C(OCCCCn1c(-c2ccoc2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000082179905 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179926 JK Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(CCc2ccccc2)n3CCc2ccccn2)cc1 ZINC000082179991 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082180010 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082180011 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082180016 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082180017 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082180018 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082180019 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082180024 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082180025 JK Annotated Anodyne CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180074 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180096 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180110 JK Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCc2ccccn2)cc1 ZINC000082180116 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCCOC(=O)C(F)(F)F ZINC000082180152 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCc1ccccn1 ZINC000082180159 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180176 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180180 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180181 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1 ZINC000082180211 JK Annotated Clean CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180212 JK Annotated Clean Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@@H]1CCCN1C ZINC000082180214 JK Annotated Clean Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@H]1CCCN1C ZINC000082180215 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180216 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180217 JK Annotated Clean CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180250 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180252 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180253 JK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180255 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180269 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180288 JK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180292 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180297 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180298 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082180321 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccs1)n2CCCCOC(=O)C(F)(F)F ZINC000082180337 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@@H]1CCCN1C ZINC000082180380 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@H]1CCCN1C ZINC000082180384 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCN1CCCCC1 ZINC000082180396 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCN1CCCCC1 ZINC000082180397 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCc1ccccn1 ZINC000082180410 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCc1ccccn1 ZINC000082180413 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C ZINC000082180418 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C ZINC000082180419 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@H]1CCCN1C ZINC000082180421 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@H]1CCCN1C ZINC000082180422 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCN1CCCC1=O ZINC000082180428 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCN1CCCC1=O ZINC000082180430 JK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180440 JK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180441 JK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCC5CC5)ncnc4n3CCN3CCCCC3)o2)cc1 ZINC000082180491 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180513 JK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180549 JK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180551 JK Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082180628 JK Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082180629 JK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCc1ccccn1 ZINC000082180656 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180662 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180665 JK Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180672 JK Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180674 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180682 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180685 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180686 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180697 JK Annotated Anodyne CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180703 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180707 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180708 JK Annotated Clean Fc1ccccc1CCNc1ncnc2c1nc(C1CCCCC1)n2CCN1CCCCC1 ZINC000082180783 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180792 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180794 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180806 JK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1 ZINC000082180901 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082180913 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082180914 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082180923 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082180924 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082180930 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082180932 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082180934 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082180937 JK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCC5CC5)ncnc4n3CCc3ccccn3)o2)cc1 ZINC000082180995 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082181015 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082181050 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082181368 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082181369 JK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)c1ccccc1 ZINC000082181473 JK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)c1ccccc1 ZINC000082181475 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181545 JK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181546 JK Annotated Clean O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082181625 JK Annotated Anodyne FC(F)(F)c1cccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)c1 ZINC000082181813 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NC)CC1(CCCCC1)O2 ZINC000082181854 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NC)CC1(CCCCC1)O2 ZINC000082181855 JK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181866 JK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181867 JK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181868 JK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181869 JK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181870 JK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181871 JK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181872 JK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181873 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccc(OC)c(OC)c1)CC1(CCCCC1)O2 ZINC000082181882 JK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccc(OC)c(OC)c1)CC1(CCCCC1)O2 ZINC000082181883 JK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000082181900 JK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000082181902 JK Annotated Anodyne Oc1cccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCc2ccccn2)c1 ZINC000082184846 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184878 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184879 JK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184884 JK Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082184912 JK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082184922 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184924 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184930 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184931 JK Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184939 JK Annotated Clean Clc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@@H]2CCCO2)cc1 ZINC000082184941 JK Annotated Clean Clc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@H]2CCCO2)cc1 ZINC000082184943 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184950 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184951 JK Annotated Clean Clc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)cc1 ZINC000082184977 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184994 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184996 JK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)cc1 ZINC000082185004 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185021 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185025 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCN2CCCCC2)o1 ZINC000082185052 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082185069 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082185071 JK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)cc1 ZINC000082185081 JK Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082185114 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185278 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082185281 JK Annotated Anodyne Fc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)cc1 ZINC000082185584 JK Annotated Clean CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185589 JK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185594 JK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185597 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185600 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185604 JK Annotated Clean O=C(OCCCCn1c(-c2ccsc2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082185686 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082185767 JK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082185801 JK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082186029 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082186108 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186271 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1 ZINC000082186376 JK Annotated Clean CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@@H]1CCCN1C ZINC000082186384 JK Annotated Clean CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@H]1CCCN1C ZINC000082186387 JK Annotated Clean CCCCCNc1ncnc2c1nc(-c1ccsc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186489 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(C1CCCCC1)n2CCCCOC(=O)C(F)(F)F ZINC000082186524 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCc1ccccn1 ZINC000082186538 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCCC ZINC000082186541 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCNC(C)=O ZINC000082186544 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@@H]1CCCN1C ZINC000082186546 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@H]1CCCN1C ZINC000082186549 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2C[C@@H](C)CC ZINC000082186552 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2C[C@H](C)CC ZINC000082186554 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccs1)n2CCCCOC(=O)C(F)(F)F ZINC000082186638 JK Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2ccc(Cl)cc2)n3CCc2ccccn2)cc1 ZINC000082187109 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187114 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187118 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187173 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187183 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187186 JK Annotated Anodyne CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187204 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187212 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187214 JK Annotated Clean Fc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)cc1 ZINC000082187282 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187296 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187298 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187309 JK Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(CCc2ccccc2)n3CCc2ccccn2)cc1 ZINC000082187445 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082187466 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082187469 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082187488 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082187490 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187500 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187503 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187505 JK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187508 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187603 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187641 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082187704 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082187706 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082187712 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082187714 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082187751 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082187753 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000082187763 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000082187764 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000082187766 JK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000082187768 JK Annotated Anodyne COc1cc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082187806 JK Annotated Anodyne COc1cc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082187808 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCc1ccccn1)c1ccccc1 ZINC000082187853 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCc1ccccn1)c1ccccc1 ZINC000082187854 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187898 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187900 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187929 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187931 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187934 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187935 JK Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187960 JK Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187962 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187977 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187980 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187993 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187994 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187995 JK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082188000 JK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082188002 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188004 JK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188005 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188018 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188020 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188022 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188024 JK Annotated Anodyne CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188058 JK Annotated Clean CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188061 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188076 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188078 JK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188080 JK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188082 JK Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188208 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188209 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188328 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188330 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188338 JK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188340 JK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)c1 ZINC000082188372 JK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)cc1 ZINC000082188422 JK Annotated Anodyne CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188539 JK Annotated Anodyne CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188541 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188546 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188548 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188567 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188569 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188581 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188584 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188585 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188587 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188610 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188611 JK Annotated Anodyne C[C@@H](Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082188613 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188615 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188641 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188645 JK Annotated Anodyne C[C@@H](Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000082188648 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188650 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188668 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188671 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188674 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188676 JK Annotated Anodyne CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188720 JK Annotated Anodyne CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188722 JK Annotated Anodyne CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188841 JK Annotated Anodyne CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188843 JK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082188847 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188979 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188981 JK Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)c1 ZINC000082189019 JK Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)c1 ZINC000082189021 JK Annotated Anodyne CCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189027 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189037 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189039 JK Annotated Anodyne COCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189048 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189061 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189062 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000082189089 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000082189091 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2cccnc2)n3CCc2ccccn2)c(Cl)c1 ZINC000082189093 JK Annotated Anodyne CCCCCn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189095 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189099 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189101 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189102 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189103 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000082189116 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000082189119 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)c(Cl)c1 ZINC000082189122 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189129 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189132 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000082189152 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000082189154 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)c(Cl)c1 ZINC000082189157 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189170 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189172 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000082189184 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000082189187 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)c(Cl)c1 ZINC000082189189 JK Annotated Anodyne CCCCCn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189191 JK Annotated Anodyne CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189201 JK Annotated Anodyne CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189203 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)o1 ZINC000082189219 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)o1 ZINC000082189222 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)o1 ZINC000082189224 JK Annotated Anodyne CCCCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189225 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082189230 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082189233 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189235 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189238 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000082189253 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000082189256 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)c(Cl)c1 ZINC000082189258 JK Annotated Anodyne CCCCCn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189260 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189270 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189272 JK Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189295 JK Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189297 JK Annotated Anodyne COCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189313 JK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189333 JK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189334 JK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189341 JK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189343 JK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189346 JK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189348 JK Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189361 JK Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189367 JK Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189370 JK Annotated Anodyne CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189406 JK Annotated Anodyne CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189407 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189422 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189423 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189427 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189436 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189438 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189450 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189452 JK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)c(Cl)c1 ZINC000082189466 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189473 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189475 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189493 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189496 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189505 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189507 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1 ZINC000082189529 JK Annotated Anodyne CCCCCn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189533 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189537 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189539 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189541 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189543 JK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189562 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189570 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189572 JK Annotated Anodyne CCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189604 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189612 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189615 JK Annotated Anodyne CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189624 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189628 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189630 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccnc1)n2CCN1CCCCC1 ZINC000082189655 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1 ZINC000082189659 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1 ZINC000082189662 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1 ZINC000082189664 JK Annotated Anodyne CCCCCn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189665 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189668 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189670 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189672 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189673 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1 ZINC000082189677 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccoc1)n2C[C@@H]1CCCO1 ZINC000082189680 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccoc1)n2C[C@H]1CCCO1 ZINC000082189682 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1 ZINC000082189685 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189690 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189691 JK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082189695 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccsc1)n2CCc1ccccn1 ZINC000082189700 JK Annotated Anodyne CCCCCn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189701 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189706 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189707 JK Annotated Anodyne CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189711 JK Annotated Anodyne CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189712 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCN2CCCCC2)o1 ZINC000082189715 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)o1 ZINC000082189723 JK Annotated Anodyne CCCCCn1c(-c2ccc(C)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189725 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082189729 JK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082189730 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189733 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189735 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1 ZINC000082189741 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1 ZINC000082189742 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccs1)n2CCc1ccccn1 ZINC000082189744 JK Annotated Anodyne CCCCCn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189747 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189756 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189758 JK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1 ZINC000082189763 JK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189767 JK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189770 JK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189771 JK Annotated Anodyne COCCn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189784 JK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189797 JK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189798 JK Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189800 JK Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189801 JK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189816 JK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189818 JK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189825 JK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189827 JK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189829 JK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189832 JK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1 ZINC000082189837 JK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189845 JK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189853 JK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189855 JK Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1 ZINC000082189866 JK Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189875 JK Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189882 JK Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189885 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1 ZINC000082189896 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189899 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189901 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189904 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@@H]1CCCN1C ZINC000082189910 JK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@H]1CCCN1C ZINC000082189911 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1 ZINC000082189922 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CC1)n2CCc1ccccn1 ZINC000082189932 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189938 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189941 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1 ZINC000082189953 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189958 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189961 JK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1 ZINC000082189963 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189971 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189973 JK Annotated Anodyne O=C(OCCCCn1c(-c2ccccc2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190008 JK Annotated Anodyne c1ccc(CCn2c(-c3ccc(N4CCCC4)cc3)nc3c(NCc4cccs4)ncnc32)nc1 ZINC000082190200 JK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190215 JK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190218 JK Annotated Clean O=C(OCCCCn1c(-c2ccsc2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190329 JK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190383 JK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190562 JK Annotated Anodyne c1ccc(CCn2c(-c3ccc(N4CCCC4)cc3)nc3c(NC4CCCCCC4)ncnc32)nc1 ZINC000082190565 JK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082190577 JK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082190583 JK Annotated Clean O=C(OCCCCn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082190673 JK Annotated Anodyne O=C(OCCCCn1c(-c2ccsc2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082190704 JK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082190725 JK Annotated Anodyne Cc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082190782 JK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082190811 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2cccc(Cl)c2)cc1Cl ZINC000082190918 JK Annotated Anodyne NC(=O)c1ccc2c(c1)nc(Nc1ccccc1Br)n2Cc1cccc2ccccc12 ZINC000082191416 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2C(C)C)c(C)c1 ZINC000082191509 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2C(C)C)cc1C ZINC000082191512 JK Annotated Anodyne CC(C)c1ccccc1Nc1nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc2n1C(C)C ZINC000082191518 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2CC(C)C)c(C)c1 ZINC000082191612 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2CC(C)C)cc1Cl ZINC000082191613 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2CC(C)C)cc1C ZINC000082191616 JK Annotated Anodyne CC(C)Cn1c(Nc2ccccc2C(C)C)nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc21 ZINC000082191622 JK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CC4CCCCC4)C(N)=O)ccc3n2CC(C)C)c(C)c1 ZINC000082191701 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082191764 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082191769 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082191771 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082191776 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)C(=O)NC1CCCCC1 ZINC000082191871 JK Annotated Anodyne COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082192676 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192860 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192864 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192867 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192874 JK Annotated Anodyne CCCCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H](CC)CCCC)n2)cc1 ZINC000082192892 JK Annotated Anodyne CCCCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H](CC)CCCC)n2)cc1 ZINC000082192897 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000082192911 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000082192916 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000082192919 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000082192923 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000082192926 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000082192932 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000082192941 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000082192945 JK Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082193103 JK Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082193107 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000082193193 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000082193197 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(Br)c2)cs1 ZINC000082193199 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(Br)c2)cs1 ZINC000082193201 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000082193217 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000082193220 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082193225 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082193228 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082193231 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082193236 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082193342 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082193345 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000082193348 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000082193351 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082193356 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082193360 JK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082193364 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082193366 JK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082193369 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082193371 JK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082193559 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082193561 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082193580 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082193583 JK Annotated Bother COc1ccc(OC)c(-c2csc(NCC(=O)NCCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000082193616 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194098 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194102 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194104 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194107 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082194110 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082194113 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194130 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194133 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194142 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194144 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000082194146 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000082194149 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194481 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194482 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194484 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194487 JK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194533 JK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194535 JK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194539 JK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194541 JK Annotated Anodyne CCCCc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@@H](CC)CCCC)n2)cc1 ZINC000082194553 JK Annotated Anodyne CCCCc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@H](CC)CCCC)n2)cc1 ZINC000082194556 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000082194562 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000082194565 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000082194568 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000082194569 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000082194571 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000082194573 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000082194578 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000082194579 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082194669 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194672 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194674 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)cc2OC)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194675 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194679 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)ccc2OC)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194682 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082194684 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)c(OC)c2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194687 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082194689 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194691 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194708 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cccc(NC(C)=O)c2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194710 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082194844 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082194846 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082195159 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082195161 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082195164 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082195166 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082195168 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082195171 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082195183 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082195186 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082195193 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082195196 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000082195198 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000082195201 JK Annotated Anodyne CC[C@H](C)[C@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195270 JK Annotated Anodyne CC(C)C[C@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195320 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NCc1ccc(F)cc1 ZINC000082195340 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)NCC(F)(F)F ZINC000082195384 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NCc1ccc(F)cc1 ZINC000082195463 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195482 JK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCc1ccc(C)cc1 ZINC000082195596 JK Annotated Bother CCCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCCc1ccccc1F ZINC000082195610 JK Annotated Bother CCCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCCc1ccccc1F ZINC000082195613 JK Annotated Bother CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCCc1ccccc1F ZINC000082195615 JK Annotated Bother O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082195675 JK Annotated Anodyne O=C(CNc1nc(-c2ccc(Cl)s2)cs1)NCCC(c1ccccc1)c1ccccc1 ZINC000082195811 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195849 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195850 JK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OCC)cc2)cs1 ZINC000082195851 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OCC)cc2)cs1 ZINC000082195852 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195855 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195856 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195909 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195910 JK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195918 JK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195919 JK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195922 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195923 JK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NCc1ccc(F)cc1 ZINC000082195926 JK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082196571 JK Annotated Anodyne C[C@H](Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000082196573 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082197175 JK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082197177 JK Annotated Anodyne C[C@@H](Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082197179 JK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082197181 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082197283 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082197284 JK Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082197318 JK Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082197320 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H]1CCCO1 ZINC000082197386 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1 ZINC000082197388 JK Annotated Anodyne CCCCCn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082197390 JK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082197857 JK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082197858 JK Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082197888 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2SC)C1 ZINC000082198220 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2SC)C1 ZINC000082198221 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2SC)C1 ZINC000082198222 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2SC)C1 ZINC000082198223 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198379 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198380 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198381 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198382 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198442 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198443 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198444 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198445 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198518 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198519 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198520 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198521 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198818 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198819 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198820 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198821 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198862 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198863 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198864 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198865 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199037 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199038 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199039 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199040 JK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082199116 JK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082199117 JK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082199118 JK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082199119 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199124 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199125 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199126 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199127 JK Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082205144 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082205146 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205153 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205156 JK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205666 JK Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205779 JK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205807 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205810 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205897 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205904 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205908 JK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205940 JK Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206103 JK Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206105 JK Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206297 JK Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206300 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207263 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207266 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207269 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207273 JK Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207279 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207302 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207303 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207306 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207308 JK Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207553 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207573 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207576 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207579 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207581 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207597 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207600 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207603 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207606 JK Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207655 JK Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207957 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208061 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208820 JK Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082209095 JK Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082209099 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082209592 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082209595 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209611 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209614 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209622 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209625 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209835 JK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209838 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209853 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209856 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209862 JK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082209865 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210264 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000082210268 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210271 JK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000082210273 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210419 JK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210423 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210426 JK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210429 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210661 JK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210664 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210667 JK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210672 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210799 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210801 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210803 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210805 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082211721 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082211729 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082211732 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082213572 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082213573 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082213574 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082213575 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082214207 JK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082214208 JK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082214209 JK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082214210 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082214246 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082214247 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082214248 JK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082214249 JK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214780 JK Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214782 JK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082214784 JK Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214787 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082214991 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082214992 JK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082214994 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)C1 ZINC000082214996 JK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)C1 ZINC000082216462 JK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)C1 ZINC000082216463 JK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)C1 ZINC000082216464 JK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 ZINC000082216467 JK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 ZINC000082216509 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082216627 JK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082216628 JK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082216629 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082216630 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000082216637 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000082216639 JK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000082216641 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)c1 ZINC000082216728 JK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)c1 ZINC000082216730 JK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc(C)c2)C1 ZINC000082216770 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc(C)c1 ZINC000082216784 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216873 JK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216874 JK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216885 JK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216887 JK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216889 JK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216892 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216921 JK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082216924 JK Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216964 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216989 JK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082217084 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F ZINC000082217087 JK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082217088 JK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082217136 JK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082217138 JK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082218407 JK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082218409 JK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082218411 JK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082218414 JK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082219425 JK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082219429 JK Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(C#N)cc1 ZINC000082219431 JK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082219459 JK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082219462 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccccc3)s2)cc1 ZINC000082219536 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccccc3)s2)cc1 ZINC000082219537 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccccc3)s2)cc1 ZINC000082219540 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082219543 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082219546 JK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082219548 JK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082219551 JK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082219571 JK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082219573 JK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082219576 JK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082219578 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccccc3)s2)c1 ZINC000082219607 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082219643 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082219645 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccco3)s2)c1 ZINC000082219750 JK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccco3)s2)cc1 ZINC000082219751 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccco2)oc1C ZINC000082219764 JK Annotated Anodyne FC(F)(F)c1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)c1 ZINC000082219776 JK Annotated Anodyne COc1cc(-c2nc(N3CCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082219781 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082219789 JK Annotated Anodyne COc1cc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082219799 JK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082219832 JK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(C)cc3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082219836 JK Annotated Anodyne CCN(C)c1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082219838 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082219843 JK Annotated Anodyne Cc1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082219853 JK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082219905 JK Annotated Anodyne Cc1cccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082219908 JK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082219932 JK Annotated Bother C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082219935 JK Annotated Bother CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220322 JK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220324 JK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220326 JK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220328 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082221473 JK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082221495 JK Annotated Bother COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082221497 JK Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082221513 JK Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082221515 JK Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082221517 JK Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082221519 JK Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082221520 JK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082221521 JK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082221525 JK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082221526 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082221542 JK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2C)oc1C ZINC000082221547 JK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082221554 JK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)cc1OC ZINC000082221561 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082221569 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082221571 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)oc1C ZINC000082221581 JK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)oc1C ZINC000082221582 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc2ccccc2s1 ZINC000082221585 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc2ccccc2s1 ZINC000082221587 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082221599 JK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082221601 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(OC(F)(F)F)c2)ncc1-c1nc2ccccc2s1 ZINC000082221612 JK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2C)s1 ZINC000082221613 JK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(OC(F)(F)F)c2)ncc1-c1nc(C)c(C)s1 ZINC000082221614 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082221706 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082221708 JK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(CCc2ccccc2)n3CCc2ccccn2)c1 ZINC000082221719 JK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082221792 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082221799 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082221800 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082221911 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082221913 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082222749 JK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082222750 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082222755 JK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222765 JK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222766 JK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222767 JK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222768 JK Annotated Anodyne COCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222771 JK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222777 JK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CCCCC1)n2CCc1ccccn1 ZINC000082222792 JK Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082224054 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082224451 JK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082224453 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224463 JK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224466 JK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3)n2)o1 ZINC000082224552 JK Annotated Anodyne CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082224590 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000082224592 JK Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082224595 JK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000082224598 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082224942 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082224944 JK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082224945 JK Annotated Bother CCOc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1OCC ZINC000082230168 JK Annotated Mild CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000082230170 JK Annotated Mild CCCOc1c(Br)cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000082230174 JK Annotated Mild C=CCOc1c(Br)cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000082230175 JK Annotated Mild C#CCOc1c(Br)cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000082230177 JK Annotated Mild CCCOc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000082230772 JK Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000082230773 JK Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000082230778 JK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000082230779 JK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(SC)cc1 ZINC000082230792 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000082230793 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc2ccccc12 ZINC000082230810 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc2ccccc12 ZINC000082230811 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000082230830 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000082230831 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000082230856 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000082230857 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000082230858 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000082230859 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082230868 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082230869 JK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082230870 JK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000082230871 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000082230964 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000082230965 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000082230966 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000082230967 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000082230989 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(O)cc1 ZINC000082231050 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(O)cc1 ZINC000082231051 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000082231052 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000082231053 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000082231074 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000082231075 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000082231076 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000082231077 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1OC(C)C ZINC000082231094 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1OC(C)C ZINC000082231095 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1OC(C)C ZINC000082231096 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1OC(C)C ZINC000082231097 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000082231138 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@H]2c1ccc(OC)cc1 ZINC000082231139 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000082231140 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000082231141 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1c(F)cccc1Cl ZINC000082231195 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1c(F)cccc1Cl ZINC000082231196 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1c(F)cccc1Cl ZINC000082231197 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1c(F)cccc1Cl ZINC000082231198 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(F)cc1 ZINC000082231243 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(F)cc1 ZINC000082231244 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(F)cc1 ZINC000082231245 JK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(F)cc1 ZINC000082231246 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000082231269 JK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000082231270 JK Annotated Mild CC[C@@H](C)c1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231690 JK Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231691 JK Annotated Anodyne CC(C)Cc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231706 JK Annotated Anodyne CSCCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231722 JK Annotated Anodyne CCCCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231727 JK Annotated Anodyne O=c1[nH]c2ccc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)nc2nc1-c1ccccc1 ZINC000082231746 JK Annotated Anodyne O=c1[nH]c2ccc(N3CC=C(c4ccc(Cl)cc4)CC3)nc2nc1CSCc1ccccc1 ZINC000082231773 JK Annotated Anodyne CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000083921130 JK Annotated Mild in-vitro CC1=C2O[C@]3(O)C=C2C(=C(O)C1=O)[C@H]1O[C@@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000083921131 JK Annotated Mild in-vitro CCC[C@]12C[C@H](O[C@H](C)[C@H]1O)c1cc(Cl)c3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O ZINC000083921204 JK Annotated Clean in-vitro COc1c/c(=C2/N=CC=C2Cl)o/c1=C1\c2[nH]c3cc2[C@@H](C(C)C)[C@H]1CCCCCCCC3 ZINC000083921372 JK Annotated Anodyne in-vitro CC/C(=C\C=C\[C@H]1C=C[C@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000083921634 JK Annotated Anodyne in-vitro C[C@H]1C[C@@H](C)[C@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)cccc4o3)O2)O[C@@H]1[C@@H](C)C(=O)c1ccc[nH]1 ZINC000083922073 JK Annotated Anodyne in-vitro C[C@H]1C[C@H](C)[C@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)cccc4o3)O2)O[C@@H]1[C@@H](C)C(=O)c1ccc[nH]1 ZINC000083922076 JK Annotated Anodyne in-vitro COc1oc([C@@H]2C[C@@]3(CO2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@]2(C)C=C(C)C=C(C)[C@@H]32)c(C)c(=O)c1C ZINC000083922617 JK Annotated Bother in-vitro COc1oc([C@H]2C[C@@]3(CO2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@]2(C)C=C(C)C=C(C)[C@@H]32)c(C)c(=O)c1C ZINC000083922619 JK Annotated Bother in-vitro C/C1=C/[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC(=O)/C(C)=C\[C@@H](C)C[C@H](C)[C@H](Cc2cnco2)OC1=O ZINC000083922955 JK Annotated Anodyne in-vitro CC/C(=C\C=C\[C@H]1C=C[C@@H]2[C@@H](CC)CC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000083922975 JK Annotated Anodyne in-vitro CC/C(=C\C=C\[C@H]1C=C[C@H]2[C@@H](CC)CC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000083922977 JK Annotated Anodyne in-vitro CC/C(=C\C=C\[C@H]1C=C[C@H]2[C@@H](CC)CC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000083922979 JK Annotated Anodyne in-vitro CC(C)=CCC/C(C)=C\C[C@]1(O)C(=O)c2cc(O)c(C)c(O)c2C(=O)[C@]1(Cl)CC=C(C)C ZINC000083924512 JK Annotated Clean in-vitro CC(C)=CCC/C(C)=C\C[C@]1(O)C(=O)c2cc(O)c(C)c(O)c2C(=O)[C@@]1(Cl)CC=C(C)C ZINC000083924514 JK Annotated Clean in-vitro COC(=O)[C@@]1(C)C[C@@H]2[C@](C)(CC1=O)CC(C)=C1C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@]12C ZINC000084153944 JK Annotated Mild in-vitro biogenic CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](C)N1 ZINC000084153995 JK Annotated Anodyne in-vitro biogenic CCCCN(C(C)=O)[S@@](=O)(=NC(=O)N(C(C)=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000084324237 JK Annotated Anodyne CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C ZINC000084339027 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@@H](n5ccnn5)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000084339029 JK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CC(C)C)N[C@H]1c1ccc(Br)cc1 ZINC000084459912 JK Annotated Mild CC[C@@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 ZINC000084462599 JK Annotated Clean CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 ZINC000084462600 JK Annotated Clean CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 ZINC000084462601 JK Annotated Clean CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 ZINC000084462602 JK Annotated Clean Oc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000084466186 JK Annotated Anodyne COc1ccc(OC)c2c1ncn2C[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000084466270 JK Annotated Anodyne C[C@@]12CCC[C@@H](/C1=N\O)[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000084523578 JK Annotated Mild O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cccc(-c3cccs3)c2)CC1 ZINC000084534305 JK Annotated Anodyne O=c1ccc2ccc(F)c3c2n1C[C@@H]3CN1CCC(NCc2cccc(-c3cccs3)c2)CC1 ZINC000084534307 JK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1CC(Cl)=CC=C1N2Cc1ccccc1 ZINC000084541444 JK Annotated Mild O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1CC(Cl)=CC=C1N2Cc1ccccc1 ZINC000084541445 JK Annotated Mild Cc1cccc([C@@H](CCC(C)C)N2CC[C@@H](CC(=O)O)C[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000084544156 JK Annotated Anodyne CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@H]3c1ccc(Br)cc1 ZINC000084559382 JK Annotated Anodyne CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@@H]3c1ccc(Br)cc1 ZINC000084559384 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000084564622 JK Annotated Clean CC(C)CCC[C@](C)(O)c1ccc(CO)cc1Oc1cc(CO)ccc1[C@](C)(O)CCCC(C)C ZINC000084567135 JK Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(CC(C)(C)C)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084586561 JK Annotated Anodyne O=C(NC1(C(=O)O)CCCCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084586607 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N\OCc1ccccc1 ZINC000084586658 JK Annotated Mild CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CC1 ZINC000084586847 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CC1 ZINC000084586850 JK Annotated Anodyne O=C(C[n+]1ccn(-c2ccc(-c3cc4ccccc4o3)cc2)c1)c1ccc(Br)cc1 ZINC000084587155 JK Annotated Mild CC1(C)C=C2[C@H]3C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)CC1 ZINC000084587343 JK Annotated Anodyne CCOC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000084587404 JK Annotated Reactive O=C(O)c1cc(-c2ccc(C[C@H](C(=O)c3cc(F)cc(F)c3)c3ccc(F)cc3)cc2)no1 ZINC000084587418 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@@H](C(=O)c3cc(F)cc(F)c3)c3ccc(F)cc3)cc2)no1 ZINC000084587422 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1cn(-c2ccccc2)c2ccc(Cl)cc12 ZINC000084587586 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)cc1)c1cn(-c2ccccc2)c2ccc(Cl)cc12 ZINC000084587590 JK Annotated Anodyne COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ncc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084587698 JK Annotated Anodyne COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ncc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084587699 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)c1sc2ccccc2c1C ZINC000084587773 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)c1sc2ccccc2c1C ZINC000084587778 JK Annotated Anodyne FC(F)(F)c1nn(-c2ccccc2)c(-c2ccc(Cl)cc2)c1/C=N/c1ccccc1Cl ZINC000084596047 JK Annotated Mild O=[N+]([O-])c1ccc(/N=C/c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1 ZINC000084596048 JK Annotated Mild CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)cc(C(=O)Nc2cc(C)n(C)n2)c1 ZINC000084596131 JK Annotated Anodyne O=C(c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1)N(C1CCCCC1)C1CC1 ZINC000084596238 JK Annotated Anodyne O=C(O)c1csc(-c2ccc(C[C@@H](c3ccc(F)cc3)c3nc(-c4cccc(F)c4)no3)cc2)n1 ZINC000084596404 JK Annotated Anodyne O=C(O)c1csc(-c2ccc(C[C@H](c3ccc(F)cc3)c3nc(-c4cccc(F)c4)no3)cc2)n1 ZINC000084596405 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Cl)cc1/C=N\OCc1ccccc1 ZINC000084596445 JK Annotated Mild CCCNc1nc(NCc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)c2cc(C)ccc2n1 ZINC000084596486 JK Annotated Anodyne ClP1(Cl)=NP(Cl)(Cl)=NP(Nc2ccccc2)(Nc2ccccc2)=N1 ZINC000084596579 JK Annotated Reactive CCNc1nc(NCc2ccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c2cc(C)ccc2n1 ZINC000084596588 JK Annotated Anodyne O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc3ccccc23)c1Br ZINC000084596660 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N/OCc1ccccc1Cl ZINC000084596691 JK Annotated Mild CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCC1 ZINC000084596907 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCC1 ZINC000084596908 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCCC1 ZINC000084596909 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCCC1 ZINC000084596910 JK Annotated Anodyne COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084596960 JK Annotated Anodyne COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084596961 JK Annotated Anodyne O=C(c1ccccc1)[C@H](c1ccccc1)[n+]1ccn(-c2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000084596985 JK Annotated Mild O=C(c1ccccc1)[C@@H](c1ccccc1)[n+]1ccn(-c2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000084596986 JK Annotated Mild N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3cc(Nc4cccc(C(F)(F)F)c4)ncn3)cc2)c1 ZINC000084597052 JK Annotated Mild CCCCCCCCCCCCCS/C=C/[C@H](CO)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000084601957 JK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N ZINC000084602075 JK Annotated Mild CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@]2(O)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000084602888 JK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)Nc2ccncc2)cc1C ZINC000084603182 JK Annotated Clean CCOCCn1cccc1[C@@H](c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000084603340 JK Annotated Anodyne CCOCCn1cccc1[C@H](c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000084603341 JK Annotated Anodyne CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CN(C)C)c2)s1 ZINC000084604740 JK Annotated Anodyne CC(C)CC(=O)c1c(Nc2cccc(Cl)c2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O ZINC000084604840 JK Annotated Bother O=C(c1ccc(Oc2cccc3cccnc23)cc1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O ZINC000084605272 JK Annotated Clean Cc1ccccc1NC(=S)Nc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1 ZINC000084615503 JK Annotated Anodyne O=[N+]([O-])c1ccc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000084615875 JK Annotated Mild COc1cc([C@H]2/C(=C/c3ccccc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084616184 JK Annotated Mild COc1cc([C@@H]2/C(=C/c3ccccc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084616186 JK Annotated Mild N#Cc1c(-c2ccccc2)c(C#N)c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2c1=N ZINC000084617080 JK Annotated Mild Cc1ccc(-c2c(C#N)c(=N)n3c(nc(O)c4c(-c5ccc(Cl)cc5)csc43)c2C#N)cc1 ZINC000084617081 JK Annotated Mild N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2c1=N ZINC000084617083 JK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2c1=N ZINC000084617085 JK Annotated Mild Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1(c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)C(=O)Nc2ccccc21 ZINC000084617467 JK Annotated Bother Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccnc4c3ccc3ccccc34)C[C@@H]1O2 ZINC000084617569 JK Annotated Bother Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccnc4c3ccc3ccccc34)C[C@@H]1O2 ZINC000084617571 JK Annotated Bother CC1(C)C(=O)CC[C@@]2(C)[C@H]1[C@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@](C)(CO)CC[C@]3(C)CC[C@]21C ZINC000084617583 JK Annotated Anodyne CC1=C(CCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000084617676 JK Annotated Reactive COc1ccc(-n2c([S@](=O)[C@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084617912 JK Annotated Anodyne COc1ccc(-n2c([S@](=O)[C@@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084617913 JK Annotated Anodyne COc1ccc(-n2c([S@@](=O)[C@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084617915 JK Annotated Anodyne COc1ccc(-n2c([S@@](=O)[C@@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084617916 JK Annotated Anodyne CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(F)c3[nH]ccc23)s1 ZINC000084618736 JK Annotated Anodyne Cc1nc(N2CCC(O)(C3CC3)CC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)F)cc3)cc12 ZINC000084619078 JK Annotated Anodyne O=C1C=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000084619176 JK Annotated Reactive CC(C)=C[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084619286 JK Annotated Anodyne N#Cc1cccc(NC(=S)Nc2ccc(-c3cc(Nc4cccc(C(F)(F)F)c4)ncn3)cc2)c1 ZINC000084619409 JK Annotated Mild O=C(O)c1csc(-c2ccc(C[C@H](C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)n1 ZINC000084619519 JK Annotated Anodyne O=C(O)c1csc(-c2ccc(C[C@@H](C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)n1 ZINC000084619521 JK Annotated Anodyne O=C(O)c1csc(-c2ccc(C[C@H](C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)n1 ZINC000084619522 JK Annotated Anodyne O=C(O)c1csc(-c2ccc(C[C@@H](C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)n1 ZINC000084619524 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(C(F)(F)F)cc1)c1sc2ccccc2c1C ZINC000084619577 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(C(F)(F)F)cc1)c1sc2ccccc2c1C ZINC000084619580 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C ZINC000084619582 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C ZINC000084619584 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1C ZINC000084619594 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1C ZINC000084619596 JK Annotated Anodyne CCN(CC)CCC(=O)Nc1ccc(/C=C2\CCCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000084619840 JK Annotated Anodyne COc1ccc(-c2noc([C@@H](Cc3ccc(-c4cc(C(=O)O)on4)cc3)c3ccc(F)cc3)n2)cc1 ZINC000084620075 JK Annotated Anodyne COc1ccc(-c2noc([C@H](Cc3ccc(-c4cc(C(=O)O)on4)cc3)c3ccc(F)cc3)n2)cc1 ZINC000084620077 JK Annotated Anodyne CC(=O)OC[C@@]1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000084632043 JK Annotated Anodyne CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3C)s1 ZINC000084632101 JK Annotated Anodyne CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3[nH]cc(Cl)c23)s1 ZINC000084632103 JK Annotated Anodyne Clc1ccc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000084632296 JK Annotated Mild O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3nnc4ccccc43)c3ccc(Cl)cc3)n2)cc1 ZINC000084632299 JK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000084632776 JK Annotated Anodyne Cc1nc(N2CCC(O)(C3CC3)CC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000084632871 JK Annotated Anodyne CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 ZINC000084632914 JK Annotated Anodyne CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 ZINC000084632970 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1cccc(Br)c1)c1sc2ccccc2c1C ZINC000084633277 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1cccc(Br)c1)c1sc2ccccc2c1C ZINC000084633278 JK Annotated Anodyne N#Cc1c(-c2cccs2)c(C#N)c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2c1=N ZINC000084633468 JK Annotated Mild O=C(c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)N(C1CCCCC1)C1CC1 ZINC000084633538 JK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N\OCc1ccccc1F ZINC000084633578 JK Annotated Mild C[C@H](Sc1nc2ccccc2n1-c1ccc(F)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000084633649 JK Annotated Anodyne C[C@@H](Sc1nc2ccccc2n1-c1ccc(F)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000084633650 JK Annotated Anodyne COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nc(C)c(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000084633652 JK Annotated Anodyne COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nc(C)c(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000084633655 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@H](C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)no1 ZINC000084634046 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@@H](C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)no1 ZINC000084634048 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@H](C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)no1 ZINC000084634050 JK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@@H](C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)no1 ZINC000084634052 JK Annotated Anodyne CCCNc1nc(NCc2ccc(C(=O)Nc3ccc(Cl)nc3)cc2)c2cc(C)ccc2n1 ZINC000084634080 JK Annotated Anodyne COc1ccc(N2C(=O)/C(=C(/c3ccc(O)c(Br)c3)C(F)(F)F)SC2=S)cc1 ZINC000084634115 JK Annotated Clean O=C1C(=CNNc2ccccc2)C(=O)N(c2ccc(Cl)cc2)C(=S)N1c1ccc(Cl)cc1 ZINC000084634513 JK Annotated Clean CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCCCC1 ZINC000084635349 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCCCC1 ZINC000084635351 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1CC(C)(C)C ZINC000084635353 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1CC(C)(C)C ZINC000084635355 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C(C)C ZINC000084635357 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C(C)C ZINC000084635359 JK Annotated Anodyne Cc1c([C@@H](Cc2ccc(F)c(F)c2)P(=O)(OC(C)C)OC(C)C)sc2ccccc12 ZINC000084635368 JK Annotated Anodyne Cc1c([C@H](Cc2ccc(F)c(F)c2)P(=O)(OC(C)C)OC(C)C)sc2ccccc12 ZINC000084635370 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1C ZINC000084635464 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](Cc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1C ZINC000084635466 JK Annotated Anodyne COc1ccc(/C=C2\SC(c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)=NC2=O)cc1 ZINC000084651923 JK Annotated Clean COc1cc2c(c(OC)c1OC)-c1c(OC(=O)C3CCCCC3)c(OC)cc3ccnc(c13)CC2 ZINC000084651955 JK Annotated Anodyne C[C@@H]([C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)(C)O ZINC000084652028 JK Annotated Anodyne CCCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1 ZINC000084652151 JK Annotated Clean CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc(C)cc21 ZINC000084652159 JK Annotated Bother Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccc(C(F)(F)F)cc2c1=O ZINC000084652192 JK Annotated Anodyne C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(Br)cc2F)nn1 ZINC000084652278 JK Annotated Anodyne C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(Br)cc2F)nn1 ZINC000084652279 JK Annotated Anodyne CC1(C)CC(=O)C(C(=S)SCc2ccccc2)=C(Nc2ccc(Cl)cc2Cl)C1 ZINC000084652315 JK Annotated Mild COc1ccc(Oc2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)cc1 ZINC000084652369 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OC(=O)c3ccccc3)c(OC)cc3ccnc(c13)CC2 ZINC000084652673 JK Annotated Anodyne CCc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1 ZINC000084652779 JK Annotated Anodyne CCCc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1 ZINC000084652780 JK Annotated Anodyne Cc1nn(-c2ccccc2C(C)C)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084652781 JK Annotated Anodyne Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084652803 JK Annotated Anodyne Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084652804 JK Annotated Anodyne Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084652805 JK Annotated Anodyne Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084652806 JK Annotated Anodyne CN1c2c(-c3ccc(Cl)cc3)nn(-c3cccc(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O ZINC000084652824 JK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(F)c(Cl)cc2c1=O ZINC000084652851 JK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)c(F)cc2c1=O ZINC000084652852 JK Annotated Anodyne Cc1nc(C(=O)N2CCCC[C@@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1 ZINC000084652888 JK Annotated Anodyne C=C(c1ccc(F)cc1)[C@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084652945 JK Annotated Reactive C=C(c1ccc(F)cc1)[C@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084652947 JK Annotated Reactive CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccncc3)cc2)C(C)C)c1 ZINC000084652958 JK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccoc3)cc2)C(C)C)c1 ZINC000084652961 JK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccco3)cc2)C(C)C)c1 ZINC000084652995 JK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2sc3ccccc3n2c1-c1ccc(F)cc1 ZINC000084653130 JK Annotated Anodyne CSC1=Nc2c(c(C)c(-c3ccccc3)n2CCCN2CCCCC2)C2=NC(=O)C[C@H](C)N12 ZINC000084653146 JK Annotated Anodyne CSC1=Nc2c(c(C)c(-c3ccccc3)n2CCCN2CCCCC2)C2=NC(=O)C[C@@H](C)N12 ZINC000084653147 JK Annotated Anodyne Cc1nn(-c2ccccc2F)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084653160 JK Annotated Anodyne Cc1nn(-c2ccccc2F)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084653161 JK Annotated Anodyne Cc1nn(-c2ccccc2F)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084653162 JK Annotated Anodyne Cc1nn(-c2ccccc2F)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084653163 JK Annotated Anodyne CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2O)O1 ZINC000084653195 JK Annotated Mild CCOC(=O)c1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O ZINC000084653285 JK Annotated Anodyne CC(=O)Oc1cccc2[nH]c(-c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3)c(C)c(=O)c12 ZINC000084653346 JK Annotated Anodyne COc1ccc(-c2c(Br)[nH]c(C(=O)OC(C)(C)C)c2Br)cc1OC ZINC000084653361 JK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C)c(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC000084653465 JK Annotated Bother CC(C)OC(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084653531 JK Annotated Anodyne CC(C)OC(=O)N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084653532 JK Annotated Anodyne Cc1nc(C(=O)N2C[C@H](F)CC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccccc2)s1 ZINC000084653673 JK Annotated Anodyne Cc1nc(C(=O)N2C[C@@H](F)CC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccccc2)s1 ZINC000084653674 JK Annotated Anodyne C=C(c1ccc(C)cc1)[C@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653686 JK Annotated Reactive C=C(c1ccc(C)cc1)[C@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653688 JK Annotated Reactive Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccccc4Br)cc23)c1 ZINC000084653892 JK Annotated Anodyne Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc(Oc3ccccc3)cc1)c1ccccc12 ZINC000084653916 JK Annotated Anodyne N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 ZINC000084653963 JK Annotated Mild CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccsc3)cc2)C(C)C)c1 ZINC000084654264 JK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000084654871 JK Annotated Anodyne CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1 ZINC000084654973 JK Annotated Clean Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1-c1nnc(SCCOc2ccccc2F)o1 ZINC000084655236 JK Annotated Anodyne C[C@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O ZINC000084655247 JK Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)Nc1cc3c(cc1C)C(C)(C)CCC3(C)C)O2 ZINC000084655298 JK Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)Nc1cc3c(cc1C)C(C)(C)CCC3(C)C)O2 ZINC000084655300 JK Annotated Anodyne O=C(N[C@@H](Cc1ccc2oc(CCNc3ccccn3)cc2c1)C(=O)O)c1c(Cl)cccc1Cl ZINC000084655466 JK Annotated Anodyne CCCCCCCC[C@@H](CCCCCC)CCOc1cccc(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000084668583 JK Annotated Mild CCCCCCCC[C@H](CCCCCC)CCOc1cccc(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000084668584 JK Annotated Mild O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(N3CCNCC3)ccc12 ZINC000084668805 JK Annotated Anodyne COc1cc(-c2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc(OC)c1OC ZINC000084668960 JK Annotated Mild COc1cc(-c2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2)cc(OC)c1OC ZINC000084668961 JK Annotated Mild COc1cc(-c2nnc(SCc3ccccc3Cl)n2/N=C/c2ccccc2)cc(OC)c1OC ZINC000084668962 JK Annotated Mild CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(Br)cc2)C(C)C)c1 ZINC000084669212 JK Annotated Anodyne CC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c12 ZINC000084669249 JK Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(CCc2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000084669300 JK Annotated Mild C[C@@H](C(=O)O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CC(=O)O ZINC000084669318 JK Annotated Anodyne COC(=O)CC/C=C/[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](C)COCc1ccc(OC)cc1 ZINC000084669553 JK Annotated Anodyne CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1/C=C/c1ccccc1 ZINC000084669591 JK Annotated Anodyne O=C(N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000084669638 JK Annotated Anodyne O=C(N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000084669639 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7c(O)n[nH]c7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084669735 JK Annotated Anodyne COc1ccc(/C=C/c2onc(C)c2-n2c(C)nc3nc4ccc(Cl)cc4cc3c2=O)cc1 ZINC000084670052 JK Annotated Bother Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(OC(F)(F)F)cc2c1=O ZINC000084670150 JK Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(C(F)(F)F)cc2c1=O ZINC000084670151 JK Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000084670154 JK Annotated Anodyne CCCCCCCCCCCSC(=S)C1=C(Nc2ccc(Cl)cc2)CC(C)(C)CC1=O ZINC000084670167 JK Annotated Mild Cc1noc(/C=C/c2ccccc2)c1N1CN=C2Oc3c(Cl)cc(Cl)cc3C=C2C1=O ZINC000084670422 JK Annotated Anodyne O=C(N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccon1 ZINC000084670446 JK Annotated Anodyne O=C(N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccon1 ZINC000084670447 JK Annotated Anodyne O=C(N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccno1 ZINC000084670448 JK Annotated Anodyne O=C(N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1ccno1 ZINC000084670449 JK Annotated Anodyne CC(C)C(=O)N(C)[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084670454 JK Annotated Anodyne CC(C)C(=O)N(C)[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084670455 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OC(=O)Oc3ccccc3)c(OC)cc3ccnc(c13)CC2 ZINC000084670539 JK Annotated Anodyne Cc1nc(C(=O)N2CCCC[C@@H]2CNC(=O)c2cccc3cccnc23)c(-c2ccc(F)cc2)s1 ZINC000084670695 JK Annotated Anodyne Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3cccnc23)c(-c2ccc(F)cc2)s1 ZINC000084670696 JK Annotated Anodyne C/C1=C(\CCO)SS/C(CCO)=C(/C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000084670726 JK Annotated Reactive CCOc1cc(C(=O)OCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC ZINC000084670770 JK Annotated Bother CCOC(=O)COc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1 ZINC000084671261 JK Annotated Anodyne CCOC(=O)COc1ccc(C(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)cc1 ZINC000084671262 JK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1 ZINC000084671265 JK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1 ZINC000084671266 JK Annotated Anodyne CC(C)Oc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1 ZINC000084671334 JK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(O)c1-c1c(O)c(C=O)cc2c1[nH]c1cc(OC)ccc12 ZINC000084671451 JK Annotated Anodyne CCCCCCn1cc(COc2ccc(C(=O)/C=C/c3c(F)cccc3Cl)c(O)c2)nn1 ZINC000084672174 JK Annotated Mild CCCCCCCC/C=C\c1c(C)nc(CCCOC)c(/C=C\CCCCCCCC)c1C ZINC000084687117 JK Annotated Mild CCCCCCn1cc(COc2ccc(C(=O)/C=C/c3ccc(Br)cc3)c(O)c2)nn1 ZINC000084687159 JK Annotated Mild COc1ccc(CC(=O)O[C@@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc1 ZINC000084687428 JK Annotated Clean COc1ccc(CC(=O)O[C@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc1 ZINC000084687429 JK Annotated Clean CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)ccc1OC)N[C@@H]2c1cc(OC)ccc1OC ZINC000084687459 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)N[C@@H]2c1ccc(OC)c(OC)c1 ZINC000084687461 JK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(O)c(OC)c1)N[C@@H]2c1ccc(O)c(OC)c1 ZINC000084687465 JK Annotated Anodyne CCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687476 JK Annotated Mild CCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687477 JK Annotated Mild CCCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687478 JK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687479 JK Annotated Mild CC(C)c1ccc(-c2cc(-c3ccc(OCc4cn(Cc5ccccc5)nn4)cc3O)nc(N)n2)cc1 ZINC000084687497 JK Annotated Anodyne CCOc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000084687526 JK Annotated Anodyne CCOc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000084687527 JK Annotated Anodyne COc1ccccc1CC(=O)O[C@@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 ZINC000084687587 JK Annotated Clean COc1ccccc1CC(=O)O[C@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 ZINC000084687588 JK Annotated Clean COc1cccc(CC(=O)O[C@@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)c1 ZINC000084687589 JK Annotated Clean COc1cccc(CC(=O)O[C@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)c1 ZINC000084687590 JK Annotated Clean Fc1ccccc1Cn1cc(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)c2ccccc21 ZINC000084687629 JK Annotated Mild FC(F)(F)c1cccc(-n2cc(COc3ccccc3-c3nc4ccccc4s3)nn2)c1 ZINC000084687817 JK Annotated Anodyne NC1=C(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1 ZINC000084687890 JK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccccc23)[C@H](c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1 ZINC000084687891 JK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 ZINC000084687892 JK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccccc23)[C@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 ZINC000084687893 JK Annotated Mild CN(C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2C2=CCCCC2)cc1 ZINC000084687969 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C(=O)[C@H]4NC(=S)Nc1ccccc1 ZINC000084688394 JK Annotated Anodyne CCc1c(CCNCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000084688432 JK Annotated Anodyne CCCCCCn1cc(COc2ccc(-c3cc(-c4c(F)cccc4Cl)nc(N)n3)c(O)c2)nn1 ZINC000084688517 JK Annotated Anodyne N[C@H]1N=C(c2cccc([N+](=O)[O-])c2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084688607 JK Annotated Clean N[C@@H]1N=C(c2cccc([N+](=O)[O-])c2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084688608 JK Annotated Clean COc1cc(C2=N[C@H](N)OC(c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)=C2)ccc1O ZINC000084688611 JK Annotated Clean COc1cc(C2=N[C@@H](N)OC(c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)=C2)ccc1O ZINC000084688612 JK Annotated Clean CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H](O)[C@H]4NC(=S)Nc1ccccc1 ZINC000084688716 JK Annotated Anodyne c1ccc2cc(SC[C@@H](Cn3c4ccccc4c4ccccc43)N3CCNCC3)ccc2c1 ZINC000084688889 JK Annotated Anodyne c1ccc2cc(SC[C@H](Cn3c4ccccc4c4ccccc43)N3CCNCC3)ccc2c1 ZINC000084688892 JK Annotated Anodyne O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1 ZINC000084688994 JK Annotated Anodyne O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1 ZINC000084688997 JK Annotated Anodyne CCCCCCn1cc(COc2ccc3c(c2)O[C@H](c2ccc(Br)cc2)CC3=O)nn1 ZINC000084689284 JK Annotated Anodyne CCCCCCn1cc(COc2ccc3c(c2)O[C@@H](c2ccc(Br)cc2)CC3=O)nn1 ZINC000084689286 JK Annotated Anodyne C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)Nc3ccccc3)CC(C)=C[C@H]2C1 ZINC000084689331 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000084689361 JK Annotated Mild CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000084689423 JK Annotated Clean CN(C)CCCNC(=O)c1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1 ZINC000084689693 JK Annotated Anodyne N[C@H]1N=C(c2ccc([N+](=O)[O-])cc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084689857 JK Annotated Clean N[C@@H]1N=C(c2ccc([N+](=O)[O-])cc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084689858 JK Annotated Clean CCCCCCCC[C@@]1(OCc2ccccc2)OC(=O)c2c(OCc3ccccc3)cccc21 ZINC000084689863 JK Annotated Mild CCCCCCCC[C@]1(OCc2ccccc2)OC(=O)c2c(OCc3ccccc3)cccc21 ZINC000084689864 JK Annotated Mild CCCCC[C@H](OCCCC)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O ZINC000084689976 JK Annotated Clean Cc1[nH]c2ccccc2c1C(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000084689995 JK Annotated Mild Cc1[nH]c2ccccc2c1C(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc(Cl)cc1Cl ZINC000084689996 JK Annotated Mild C/C(=C(/OCCCOc1ccc(Br)cc1)c1ccc(F)cc1F)n1cncn1 ZINC000084690055 JK Annotated Anodyne C#CCOc1ccc(/C=C/C(=O)c2ccc(OCc3cn(CCCCCC)nn3)cc2O)cc1 ZINC000084690086 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)[C@@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000084690181 JK Annotated Mild COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)O)cn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084690205 JK Annotated Anodyne CCCCCCn1cc(COc2ccc(-c3cc(-c4ccc(C(C)C)cc4)nc(N)n3)c(O)c2)nn1 ZINC000084690286 JK Annotated Anodyne CCCCCCn1cc(COc2ccc(-c3cc(-c4cccc5ccccc45)nc(N)n3)c(O)c2)nn1 ZINC000084690288 JK Annotated Anodyne CC1=C2C[C@@](C)(CO[C@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@H]2C[C@]2(C)CC[C@]12O ZINC000084690544 JK Annotated Reactive CC1=C2C[C@@](C)(CO[C@@H]3OC(=O)[C@]45C[C@@H]6CC(C)(C)CC6=C(C=O)[C@]34C5)C[C@H]2C[C@]2(C)CC[C@]12O ZINC000084690545 JK Annotated Reactive CCCCCCn1cc(COc2ccc(-c3cc(-c4ccc(Cl)cc4)nc(N)n3)c(O)c2)nn1 ZINC000084690736 JK Annotated Anodyne C/C(=C(/OCCCCOc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1F)n1cncn1 ZINC000084690880 JK Annotated Anodyne Cc1cccc([P+](Cc2ccc(Oc3ccccc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 ZINC000084690916 JK Annotated Reactive Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000084704064 JK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000084704067 JK Annotated Anodyne Brc1ccc(-c2cc(COc3ccccc3-c3nc4ccccc4s3)on2)cc1 ZINC000084704137 JK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2cc3ccccc3o2)cc1 ZINC000084704350 JK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1 ZINC000084704352 JK Annotated Anodyne COc1ccccc1Oc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1 ZINC000084704355 JK Annotated Anodyne COc1cccc(Oc2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)c1 ZINC000084704359 JK Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)N3CCCCCC3)cnc12 ZINC000084705137 JK Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)N3CCCCCC3)cnc12 ZINC000084705139 JK Annotated Anodyne COc1ccc(/C=C/c2onc(C)c2N2CN=C3Oc4ccc(Br)cc4C=C3C2=O)cc1 ZINC000084705320 JK Annotated Anodyne COc1cc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)ccc1Oc1ccccc1 ZINC000084705758 JK Annotated Anodyne Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(Oc3ccccc3)cc2)c1 ZINC000084705762 JK Annotated Anodyne Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(Oc3ccccc3)cc2)cc1 ZINC000084705900 JK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(COc2ccc(-c3ccccc3)cc2)nn1 ZINC000084705907 JK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccc(-c3ccc(F)cc3)cc2)nn1 ZINC000084705914 JK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3c[nH]c4ccccc34)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000084706924 JK Annotated Anodyne Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084707740 JK Annotated Reactive Cc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084707744 JK Annotated Reactive C=CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2ccccc2n(CC=C)c1=O ZINC000084707889 JK Annotated Mild C=CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2ccccc2n(CC=C)c1=O ZINC000084707892 JK Annotated Mild Cn1cc(-c2c(COc3cccc4ccccc34)cc(=O)n3c2SC[C@H]3C(=O)O)c2ccccc21 ZINC000084708202 JK Annotated Anodyne COc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1 ZINC000084708248 JK Annotated Anodyne C[P+](C)(Cc1ccc(Cc2ccc(C[P+](C)(C)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000084708927 JK Annotated Mild O=C(O)[C@@H]1CSc2c(-c3c[nH]c4ccccc34)c(COc3cccc4ccccc34)cc(=O)n21 ZINC000084708949 JK Annotated Anodyne C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cc2cc(C)ccc2n(CC=C)c1=O ZINC000084709059 JK Annotated Mild C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cc2cc(C)ccc2n(CC=C)c1=O ZINC000084709061 JK Annotated Mild CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccccc1C(F)(F)F ZINC000084709248 JK Annotated Anodyne C/C(=C1\C(=O)Nc2ccc(Cl)cc21)c1ccc(-c2cccc(C(=O)N3CCCN(C)CC3)c2)o1 ZINC000084709262 JK Annotated Anodyne C/C(=C1/C(=O)Nc2ccc(Cl)cc21)c1ccc(-c2cccc(C(=O)N3CCCN(C)CC3)c2)o1 ZINC000084709264 JK Annotated Anodyne CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O ZINC000084709353 JK Annotated Anodyne O=C1Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NCC/C=C/CCCN1 ZINC000084710235 JK Annotated Anodyne C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cc2ccc(Cl)cc2n(CC=C)c1=O ZINC000084710688 JK Annotated Mild C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cc2ccc(Cl)cc2n(CC=C)c1=O ZINC000084710690 JK Annotated Mild CCCN(CCC)c1ccc(CC)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084710784 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C=C(O)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084710965 JK Annotated Mild CCOC(=O)/C=C/c1ccc(-n2c(-c3ccccc3)cc(C(=O)OCC)c2C(=O)c2ccccc2)cc1 ZINC000084711098 JK Annotated Anodyne COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)OCc3ccccc3)cc2C1 ZINC000084711581 JK Annotated Anodyne Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccn4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084711600 JK Annotated Anodyne Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccn4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084711602 JK Annotated Anodyne Clc1ccc(-c2ccc(C3=NO[C@H](c4cccnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084711605 JK Annotated Anodyne Clc1ccc(-c2ccc(C3=NO[C@@H](c4cccnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084711608 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000084711622 JK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000084711625 JK Annotated Anodyne CCOC(=O)C1=C(Nc2cccc3ccccc23)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000084711627 JK Annotated Anodyne CCOC(=O)C1=C(Nc2cccc3ccccc23)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000084711630 JK Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 ZINC000084711687 JK Annotated Anodyne C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O ZINC000084711742 JK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl ZINC000084712630 JK Annotated Reactive C[C@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1ccccc1Cl)C(=O)CCl ZINC000084712634 JK Annotated Reactive C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cc2ccc(C)cc2n(CC=C)c1=O ZINC000084712868 JK Annotated Mild C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cc2ccc(C)cc2n(CC=C)c1=O ZINC000084712870 JK Annotated Mild CC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000084713044 JK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl ZINC000084713352 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl ZINC000084713354 JK Annotated Reactive Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084713355 JK Annotated Reactive Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084713358 JK Annotated Reactive CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7c[nH]nc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084713639 JK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(F)cc1 ZINC000084713673 JK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(Cl)cc1 ZINC000084713676 JK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(F)c(F)c1 ZINC000084713679 JK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000084714125 JK Annotated Mild COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccc(-c3cccs3)cc2)nn1 ZINC000084714130 JK Annotated Anodyne O=C1[C@H](CCn2cnc3c(OCc4ccccc4)ncnc32)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000084714481 JK Annotated Anodyne N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)c1 ZINC000084714588 JK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084714669 JK Annotated Mild C[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CC[C@@H](CO)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C ZINC000084722691 JK Annotated Mild Cn1nc(-c2nnc(SCCOc3ccccc3F)o2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000084723115 JK Annotated Anodyne Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084723175 JK Annotated Reactive Cc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084723179 JK Annotated Reactive COc1ccccc1-c1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1 ZINC000084723235 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000084723348 JK Annotated Mild O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN([C@@H]1CCCc3cccnc31)CC2 ZINC000084723381 JK Annotated Anodyne O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN([C@H]1CCCc3cccnc31)CC2 ZINC000084723383 JK Annotated Anodyne O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncccc1C1CC1)CC2 ZINC000084723390 JK Annotated Anodyne CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(/C(C)=C/C(=O)OC)cc2)c1C(=O)c1ccccc1 ZINC000084723717 JK Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(CCc2ccc(-c3ccc(F)cc3)cc2)nn1 ZINC000084724284 JK Annotated Anodyne C=C1C[C@@H]2[C@@]3(C)CC[C@]4(C)[C@H]5CC[C@@]6(C)[C@@H](CC[C@H](O)[C@@H]6C)[C@]5(C)CC[C@@]24C(=O)O[C@H]3[C@H]1O ZINC000084724352 JK Annotated Mild C=C1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@H](O)[C@@H]5C)[C@]4(C)CC[C@@]23C(=O)O)C[C@@H]1O ZINC000084724358 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl ZINC000084724533 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl ZINC000084724536 JK Annotated Reactive C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C(=O)O)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000084724672 JK Annotated Anodyne C[C@@H]1CC[C@@H](C(C)(C)O)OC(=O)[C@@]23C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@]12C[C@@]14CCC(=O)C(C)(C)[C@@H]4CC[C@H]23 ZINC000084724674 JK Annotated Anodyne COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)/C=C/c3ccccc3)cc2C1 ZINC000084724756 JK Annotated Anodyne CCCCNC(=O)c1cc(NC(=O)CN2CCCCC2)ccc1Oc1ccc(C(C)C)cc1 ZINC000084725059 JK Annotated Anodyne CCOc1cc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC ZINC000084725584 JK Annotated Bother Cc1ccc2c(c1)C(=O)[C@H]1[C@@H](O2)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000084725772 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@H]1[C@@H](O2)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000084725775 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@H]1[C@@H](c3ccc(Cl)c(Cl)c3)N(CCCOC(C)C)C(=O)[C@@H]1O2 ZINC000084725778 JK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]1[C@@H](c3ccc(Cl)c(Cl)c3)N(CCCOC(C)C)C(=O)[C@@H]1O2 ZINC000084725781 JK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Br)cc1)cn2/C=C\CC(F)(F)F ZINC000084725898 JK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Br)cc1)cn2/C=C/CC(F)(F)F ZINC000084725900 JK Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc(COc4cccc5ccccc45)c3)cc(=O)n21 ZINC000084726040 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]45O[C@H]4C(C)(C)CC[C@]5(C)CC[C@]23C)C1(C)C ZINC000084726442 JK Annotated Anodyne c1ccc2c(c1)nc(NCCCNCCCNc1nc3ccccc3n3cccc13)c1cccn12 ZINC000084728044 JK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(OC)cc1 ZINC000084728825 JK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2ccccc2)Sc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000084728980 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7conc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084729393 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7cnoc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084729396 JK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7sc(N)nc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084729400 JK Annotated Anodyne COc1cccc(-c2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)c1 ZINC000084730113 JK Annotated Anodyne COc1ccc(-c2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)cc1 ZINC000084730116 JK Annotated Anodyne CCOc1cccc(-c2ccc([C@H]3S[C@@H](C)C(=O)Nc4c3c(C)nn4-c3ccccc3C)cc2)c1 ZINC000084730117 JK Annotated Anodyne CC(C)[C@@H]1CN([C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)N(C)C)[C@@H]4CC[C@H]3C2=O)C1=O ZINC000084730271 JK Annotated Anodyne CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000084730657 JK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000084730665 JK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OC)c(OCCCCNc2nc(-c3ccccc3)cs2)c1 ZINC000084730700 JK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000084730708 JK Annotated Mild Cc1sc(N)c(C(=O)c2ccc(Cl)c(Cl)c2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084730832 JK Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(C)nn23)c(OC)c1 ZINC000084730940 JK Annotated Anodyne O=C1C(Cl)=C(Sc2ccccc2)C(=O)C(Sc2ccccc2)=C1Sc1ccccc1 ZINC000084731011 JK Annotated Mild COc1cc(C)c(-c2ccc(OC(=O)c3ccccc3)c3c2C[C@@H](C)N(C=O)[C@@H]3C)c2cccc(O)c12 ZINC000084731024 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3cnccc32)c(C)c1 ZINC000084731918 JK Annotated Bother CCc1nn2c(-c3c(OC)cc(C)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1 ZINC000084732094 JK Annotated Anodyne CCc1nn2c(-c3c(C)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1 ZINC000084732095 JK Annotated Anodyne Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084732205 JK Annotated Anodyne CCc1nn2c(-c3c(OC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1 ZINC000084732620 JK Annotated Anodyne CCN(CC)[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1nnnn1C(C)(C)C ZINC000084733120 JK Annotated Anodyne CCN(CC)[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1nnnn1C(C)(C)C ZINC000084733125 JK Annotated Anodyne Cc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1 ZINC000084733232 JK Annotated Mild CCCCCCCCCCS(=O)(=O)Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12 ZINC000084733548 JK Annotated Mild Fc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1 ZINC000084738886 JK Annotated Mild CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21 ZINC000084739169 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3cccnc32)c(C)c1 ZINC000084739212 JK Annotated Bother C/C(=C(/OCCCCOc1ccc(Cl)cc1Cl)c1ccc(F)cc1F)n1cncn1 ZINC000084739648 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3Br)nc3cccnc32)c(C)c1 ZINC000084739771 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nc3cccnc32)c(C)c1 ZINC000084739772 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3cccnc32)c(C)c1 ZINC000084739818 JK Annotated Bother Cc1cc(C)c(-n2c(SCC(=O)Nc3ncc(C)cc3Br)nc3cccnc32)c(C)c1 ZINC000084739820 JK Annotated Anodyne CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3cccs3)cs2)cc1 ZINC000084740085 JK Annotated Mild COc1cc(C)cc(OC)c1-c1cccc2c(N(CC3CCOCC3)CC3CC3)c(SC)nn12 ZINC000084740102 JK Annotated Anodyne CCCCCCCC[N+](C)(C)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084740107 JK Annotated Mild CCCCCCCCCC[N+](C)(C)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084740111 JK Annotated Mild CC(C)(C)C(=O)N(CCc1ccsc1)C[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000084740238 JK Annotated Anodyne CC(C)(C)C(=O)N(CCc1ccsc1)C[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000084740240 JK Annotated Anodyne N[C@H]1N=C(c2ccc(Cl)cc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084740450 JK Annotated Clean N[C@@H]1N=C(c2ccc(Cl)cc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084740453 JK Annotated Clean N[C@H]1N=C(c2cccc(Cl)c2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084740454 JK Annotated Clean N[C@@H]1N=C(c2cccc(Cl)c2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084740457 JK Annotated Clean N[C@H]1N=C(c2ccccc2Cl)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084740458 JK Annotated Clean N[C@@H]1N=C(c2ccccc2Cl)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084740460 JK Annotated Clean CCc1cc(C)c(Oc2c(C)c(C)c(C[C@H](N)C(=O)O)c(C)c2C)c(C)c1I ZINC000084740812 JK Annotated Anodyne CCc1cc(C)c(Oc2c(C)c(C)c(C[C@@H](N)C(=O)O)c(C)c2C)c(C)c1I ZINC000084740814 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ncc(C)cc3Br)nc3cnccc32)c(C)c1 ZINC000084740847 JK Annotated Anodyne CN(C)c1ccc(-c2cc(-c3ccc(C(=O)N4CCCCC4)s3)cc(C(C)(C)C)[s+]2)cc1 ZINC000084741065 JK Annotated Anodyne CC(C)=C1CN([C@@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)N(C)C)[C@@H]4CC[C@H]3[C@H]2O)C1=O ZINC000084741130 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc3cccnc32)c(C)c1 ZINC000084741523 JK Annotated Anodyne CN(C)c1ccc(-c2cc(-c3ccc(C(=S)N4CCCCC4)s3)cc(C(C)(C)C)[s+]2)cc1 ZINC000084741567 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3Br)nc3cnccc32)c(C)c1 ZINC000084741795 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc3cnccc32)c(C)c1 ZINC000084741810 JK Annotated Anodyne C=CCc1cc(NC(=O)C2CCCCC2)ccc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000084741859 JK Annotated Mild Cc1ccc(SC2=C(O)C(=O)C(Sc3ccc(C)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1 ZINC000084742084 JK Annotated Mild Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nc3cnccc32)c(C)c1 ZINC000084742166 JK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3cnccc32)c(C)c1 ZINC000084742167 JK Annotated Bother CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000084742257 JK Annotated Mild C/C(=C(/OCCCCOc1ccc(Br)cc1)c1ccc(F)cc1F)n1cncn1 ZINC000084742288 JK Annotated Anodyne COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084742399 JK Annotated Anodyne COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084742401 JK Annotated Anodyne COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084742403 JK Annotated Anodyne COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084742405 JK Annotated Anodyne Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(CNCc3ccc4ccccc4c3)cc1)N2 ZINC000084756835 JK Annotated Clean Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(CNCc3ccc(C(F)(F)F)cc3)cc1)N2 ZINC000084756836 JK Annotated Clean CCCCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br ZINC000084757378 JK Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1 ZINC000084757511 JK Annotated Anodyne Cc1ccc(C(=O)Cn2cc(COC(=O)CCN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084757553 JK Annotated Anodyne Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000084757596 JK Annotated Anodyne Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000084757598 JK Annotated Anodyne O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)c(Cl)cc12 ZINC000084757708 JK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(C(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)cc1 ZINC000084757745 JK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(C(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)cc1 ZINC000084757747 JK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(C(c2c(C)n(C)c3ccccc23)c2c(C)n(C)c3ccccc23)cc1 ZINC000084757749 JK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(C(c2c(C)n(C)c3ccccc23)c2c(C)n(C)c3ccccc23)cc1 ZINC000084757750 JK Annotated Anodyne CCOC(=O)CCCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 ZINC000084757777 JK Annotated Anodyne CCOC(=O)Oc1c(C)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)nc2ccccc12 ZINC000084757779 JK Annotated Anodyne CCOC(=O)Oc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)c(C)nc2ccccc12 ZINC000084757781 JK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)n(O)c2cc(Cl)ccc2c1=O ZINC000084757786 JK Annotated Anodyne O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000084758080 JK Annotated Bother CNc1cccc(CCCc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)c2)n1 ZINC000084758367 JK Annotated Anodyne CCCC[C@H](O)CN1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC000084758376 JK Annotated Anodyne CCCC[C@@H](O)CN1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC000084758377 JK Annotated Anodyne C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCCC3(C(=O)O)CCOCC3)C[C@@H]21 ZINC000084758621 JK Annotated Anodyne O=C(CCCO[N+](=O)[O-])Oc1ccccc1C(=O)Oc1ccc(-c2cc(=S)ss2)cc1 ZINC000084759200 JK Annotated Anodyne C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc3ccccc3c3ccccc23)nn1 ZINC000084759240 JK Annotated Bother C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc3ccccc3c3ccccc23)nn1 ZINC000084759241 JK Annotated Bother CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1 ZINC000084759270 JK Annotated Anodyne in-man O=C(CCN1c2ccccc2Sc2ccccc21)OCc1cn(CC(=O)c2ccc(F)cc2)nn1 ZINC000084759295 JK Annotated Anodyne CC1(C)CC(=O)C(C(=S)SCc2ccccc2)=C(Nc2ccc(Br)cc2)C1 ZINC000084759296 JK Annotated Mild CCN(Cc1ccncc1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084759434 JK Annotated Anodyne CSc1ccccc1Nc1nc(N2CCNc3ccccc3C2)nc2c(NCC3CC3)ncnc12 ZINC000084759626 JK Annotated Anodyne CCOC(=O)[C@@H](C)Cc1cnc(C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000084804827 JK Annotated Anodyne CCOC(=O)[C@H](C)Cc1cnc(C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000084804830 JK Annotated Anodyne COc1ccc(-c2c(C#N)c(=N)n3c(nc(O)c4c(-c5ccc(Cl)cc5)csc43)c2C#N)cc1 ZINC000084854315 JK Annotated Mild CCCOc1cc(O)c2c(c1)O[C@H](c1ccc(OCCC)c(OCCC)c1)[C@H](OCCC)C2=O ZINC000084858038 JK Annotated Anodyne CCCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OCCC)c(OCCC)c1)[C@H](OCCC)C2=O ZINC000084858039 JK Annotated Anodyne CCCOc1cc(O)c2c(c1)O[C@H](c1ccc(OCCC)c(OCCC)c1)[C@@H](OCCC)C2=O ZINC000084858040 JK Annotated Anodyne CCCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OCCC)c(OCCC)c1)[C@@H](OCCC)C2=O ZINC000084858041 JK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](n5ccnn5)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000084858062 JK Annotated Anodyne CC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C ZINC000084868337 JK Annotated Anodyne O=C(O)C[S@](=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000008553773 JK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000008567437 JK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccccc4Cl)c3)o2)c1 ZINC000008582032 JK Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000008582340 JK Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000008582341 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000008582357 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000008582365 JK Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008582366 JK Annotated Mild C[C@H]1CCCCN1C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000008583515 JK Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000008583516 JK Annotated Anodyne C[C@H]1CCCCN1C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000008583517 JK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000008585351 JK Annotated Anodyne COc1ccc(O[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000008585353 JK Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000008586024 JK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000008586119 JK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000008586120 JK Annotated Mild CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NCc3ccccc3Br)cc21 ZINC000008587585 JK Annotated Anodyne O=C1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)c2c(sc3c2CCCC3)N1 ZINC000008587657 JK Annotated Anodyne O=C1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2)c2c(sc3c2CCCC3)N1 ZINC000008587658 JK Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 ZINC000008588620 JK Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 ZINC000008588621 JK Annotated Anodyne CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCCN(CC)CC)ccc23)cc1 ZINC000008588629 JK Annotated Anodyne CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1nc(-c2ccccc2C)oc1C)CCCC3 ZINC000008590303 JK Annotated Anodyne Cc1cccc(CSc2nc3cccnc3n2Cc2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC000008591256 JK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc21 ZINC000008592517 JK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(-c4nc(-c5ccc(Cl)cc5)c(C)s4)c(=O)[nH]c3C2)cc1 ZINC000008592672 JK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(-c4nc(-c5ccc(Cl)cc5)c(C)s4)c(=O)[nH]c3C2)cc1 ZINC000008592673 JK Annotated Anodyne COc1ccc(-n2c3c(cc(-c4nc(-c5ccc(C)cc5)cs4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000008592678 JK Annotated Anodyne CCc1ccc(NCc2cc3cc4c(cc3n(CC(=O)Nc3ccccc3Cl)c2=O)OCO4)cc1 ZINC000008594304 JK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)NCc3ccco3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597691 JK Annotated Anodyne CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)Nc3ccc(Br)c(C)c3)cc21 ZINC000008600691 JK Annotated Anodyne Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)s1 ZINC000008602814 JK Annotated Anodyne COC(=O)c1cc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc(C(=O)OC)c1 ZINC000008604325 JK Annotated Anodyne CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(Br)cc4F)CC3)sc2c1 ZINC000008605093 JK Annotated Anodyne CCOc1ccccc1-c1nc(Cn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C)o1 ZINC000008605767 JK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)nc1Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000008605984 JK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000008606072 JK Annotated Anodyne Cc1c(C(=O)Nc2ccc(Br)cc2F)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000008607093 JK Annotated Anodyne CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1OCC ZINC000008608036 JK Annotated Anodyne Cc1ccc(Cl)cc1NC(=O)CCCN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000008609296 JK Annotated Anodyne O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc21 ZINC000008609472 JK Annotated Anodyne CCN(CC)CCNC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000008610383 JK Annotated Anodyne CCN(CC)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)(c3c[nH]c4ccccc34)CC2)cc1 ZINC000008610423 JK Annotated Anodyne Cc1cc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)c(C)c1 ZINC000008610751 JK Annotated Anodyne Cc1cc(C)c(NC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)c(C)c1 ZINC000008610753 JK Annotated Anodyne Cc1ccc(C)c(C(=O)c2c(N)c(-c3nc(-c4ccc5c(c4)OCO5)cs3)c3ccccn23)c1 ZINC000008611814 JK Annotated Anodyne CCN1c2ccccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1Br)CC2 ZINC000008617318 JK Annotated Anodyne aggregator COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)NCc2cccc3ccccc23)cc1 ZINC000008626965 JK Annotated Anodyne CCC[C@@H]1C[C@@]1(CCC)[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(Cl)cc1 ZINC000008628813 JK Annotated Anodyne CN(C)CC/N=C/C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008654321 JK Annotated Mild Cc1ccc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)c3c2c(C)nn3-c2nc(C)cc(C)n2)cc1 ZINC000008654670 JK Annotated Anodyne Cc1ccc([C@H]2CC(=O)N(Cc3ccc(F)cc3)c3c2c(C)nn3-c2nc(C)cc(C)n2)cc1 ZINC000008654671 JK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1 ZINC000008666520 JK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1 ZINC000008666521 JK Annotated Anodyne CCN(CC)C[C@@H](O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008667461 JK Annotated Mild Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)c(C)c1 ZINC000008670174 JK Annotated Anodyne CC(C)c1ccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000008670609 JK Annotated Anodyne CC(=O)Oc1cc2c(cc1Cl)[C@@]1(C[C@H](c3ccccc3Cl)O2)CC(C)(C)NC(=S)N1 ZINC000008671046 JK Annotated Anodyne aggregator CC(=O)Oc1cc2c(cc1Cl)[C@]1(C[C@H](c3ccccc3Cl)O2)CC(C)(C)NC(=S)N1 ZINC000008671047 JK Annotated Anodyne aggregator COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C4=CCc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000008674073 JK Annotated Clean COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C4=CCc5c(cc(O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000008674074 JK Annotated Clean CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000008674202 JK Annotated Anodyne CN1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008679904 JK Annotated Mild COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008679906 JK Annotated Anodyne Clc1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000008679916 JK Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@H](COCc3ccc(Cl)cc3)Cc3ccccc3)CC2)c1 ZINC000008680189 JK Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@@H](COCc3ccc(Cl)cc3)Cc3ccccc3)CC2)c1 ZINC000008680190 JK Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@H](COCc3cccc(Cl)c3)Cc3ccccc3)CC2)c1 ZINC000008680191 JK Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@@H](COCc3cccc(Cl)c3)Cc3ccccc3)CC2)c1 ZINC000008680192 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCC(=O)N([C@H](COCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000008680248 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCC(=O)N([C@@H](COCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000008680249 JK Annotated Anodyne Cc1cccc(COC[C@@H](CC(C)C)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CCC2=O)c1 ZINC000008680250 JK Annotated Anodyne Cc1cccc(COC[C@H](CC(C)C)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CCC2=O)c1 ZINC000008680251 JK Annotated Anodyne Cc1cccc(COC[C@@H](CC(C)C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)c1 ZINC000008680254 JK Annotated Anodyne CC(C)C[C@@H](COCc1ccc(F)cc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008680255 JK Annotated Anodyne CC(C)C[C@H](COCc1ccc(F)cc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008680256 JK Annotated Anodyne Cc1ccc(COC[C@@H](CC(C)C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000008680257 JK Annotated Anodyne Cc1ccc(COC[C@H](CC(C)C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000008680258 JK Annotated Anodyne Cc1ccccc1COC[C@H](CC(C)C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008680259 JK Annotated Anodyne O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1 ZINC000008680267 JK Annotated Anodyne aggregator C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccc(Br)o1)C(=O)N2c1ccccc1 ZINC000008680368 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000008681932 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000008681944 JK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@H](C)C1CCCCC1)C2=O ZINC000008681950 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C2CCCCC2)c1 ZINC000008681965 JK Annotated Anodyne aggregator COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000008681967 JK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000008682047 JK Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccc2ccccc2c1 ZINC000008682246 JK Annotated Anodyne O=C(C[C@H]1S/C(=N/CCc2ccccc2)N(/N=C/c2cccs2)C1=O)Nc1ccc(Cl)cc1 ZINC000008685346 JK Annotated Mild CCCCn1c(O)c(/N=N\C(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000008685556 JK Annotated Clean C=CCn1c(O)c(/N=N\C(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000008686630 JK Annotated Mild Cc1ccc(NC(=O)Cn2c(O)c(/N=N\C(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1 ZINC000008686732 JK Annotated Clean COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 ZINC000008687289 JK Annotated Clean Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=S)Nc1ccccc1C(F)(F)F ZINC000008687577 JK Annotated Mild Clc1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690097 JK Annotated Anodyne Clc1ccc([C@@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690102 JK Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2[C@H]1Nc1ccc(C)c(F)c1 ZINC000008690969 JK Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2[C@@H]1Nc1ccc(C)c(F)c1 ZINC000008690970 JK Annotated Anodyne Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1 ZINC000008691906 JK Annotated Anodyne CC(C)c1ccccc1NC(=O)COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000008692005 JK Annotated Clean C[C@@H](/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1 ZINC000008692484 JK Annotated Reactive C[C@H](/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1 ZINC000008692487 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 ZINC000008783349 JK Annotated Reactive Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1 ZINC000008801780 JK Annotated Reactive C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000008829449 JK Annotated Mild C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000008829496 JK Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008829508 JK Annotated Reactive CCOC(=O)n1cc(-c2cnc(CNC(=O)C(C)(c3ccccc3)c3ccccc3)o2)c2ccccc21 ZINC000008829515 JK Annotated Anodyne CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(C(=O)OC)cc1 ZINC000008829578 JK Annotated Anodyne CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(C(=O)OC)cc1 ZINC000008829579 JK Annotated Anodyne Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1 ZINC000008829590 JK Annotated Anodyne COc1cccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c(=O)ccccc23)c1OC ZINC000008830210 JK Annotated Anodyne Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000008830689 JK Annotated Clean Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000008830690 JK Annotated Clean CC1(C)CC(O)=C(C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)/C(=N/Cc2ccccc2)C1 ZINC000008846511 JK Annotated Mild COC(=O)c1cccc(C#C[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c1 ZINC000008860373 JK Annotated Reactive COC(=O)c1cccc(C#C[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c1 ZINC000008860374 JK Annotated Reactive COC(=O)[C@@]1(Cc2ccccc2-c2ccco2)C=C[C@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000008860410 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000008952740 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000085488730 JK Annotated Anodyne NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C(=C/CCC(=O)O)CC[C@H]2c2ccc(O)cc2)CC1 ZINC000085489116 JK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C(=C/[C@H](CO)CC(=O)O)CC[C@H]2c2ccc(O)cc2)CC1 ZINC000085489121 JK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C(=C/CCC(=O)O)CC[C@H]2c2ccc(O)cc2)CC1 ZINC000085489155 JK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H](C/C=C/CCC(=O)O)Cc2ccc(O)cc2)CC1 ZINC000085489158 JK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H](C/C=C/[C@H](CO)CC(=O)O)Cc2ccc(O)cc2)CC1 ZINC000085489171 JK Annotated Anodyne in-vitro biogenic CNC[C@H](/C=C/C[C@H](CCCCCC[C@@H]1C=C(CCN)CC1)Cc1ccc(O)cc1)CC(=O)O ZINC000085489178 JK Annotated Anodyne in-vitro biogenic CCCCCc1cc(C[C@@H](C/C=C/CCC(=O)O)CCCCCC[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085489179 JK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H](C/C=C/CCC(=O)O)C2(c3ccc(O)cc3)CCCCC2)CC1 ZINC000085489194 JK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H](C/C=C/C[C@@H](CCCO)C(=O)O)Cc2ccc(O)cc2)CC1 ZINC000085489207 JK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)C1 ZINC000085489230 JK Annotated Anodyne in-vitro biogenic O=C(O)CC/C=C/C[C@H](CCCCCC[C@@H]1C=CCC1)C1(c2ccc(O)cc2)CCCCC1 ZINC000085489277 JK Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CC[C@@H](CC2=C[CH+]N=C2)C1 ZINC000085492807 JK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CCC2(O)CCCCC2)[C@H](O)C1 ZINC000085492826 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@H](CNC)C2(O)CCCCC2)CC1 ZINC000085492867 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)C2(O)CCCC2)CC1 ZINC000085492879 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)[C@H](CNC)C[C@H](O)[C@@H](CCCCC[C@H]1C=C[C@H](CCCCC)CC1)C(=O)O ZINC000085492883 JK Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]ccn1 ZINC000085492956 JK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC2(CCCC2)C1 ZINC000085492980 JK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CC[C@@H](CCCO)C1 ZINC000085493006 JK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CC[C@@H](CNCC)C1 ZINC000085493012 JK Annotated Mild in-vitro biogenic CC(C)=C/C=C/C(C)=C\[C@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000085504600 JK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H](CCC/C=C\CCC2CCCCC2)C=C[C@H]1Cc1ccccc1 ZINC000085505612 JK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](Cc2ccccc2)CC[C@H](CCC/C=C\CCC2CCCCC2)[C@H]1CCN ZINC000085505616 JK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1[C@H](CCN)[C@@H]([C@H](C(=O)O)[C@H](C)O)[C@H]2Cc3ccccc3CC[C@@H]1C2 ZINC000085505659 JK Annotated Mild in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H](CCc1ccccc1)[C@H](CCN)CCCC/C=C\CCC1CCCCC1 ZINC000085505719 JK Annotated Anodyne in-vitro biogenic CC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505729 JK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1CC[C@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@H]1CCN ZINC000085505733 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1C=C[C@H](Cc2ccccc2)[C@@H]([C@H](C(=O)O)[C@H](C)O)[C@H]1CCN ZINC000085505738 JK Annotated Mild in-vitro biogenic NCC[C@H]1[C@@H](CCC/C=C\CCC2CCCCC2)CC[C@@H](Cc2ccccc2)[C@@H]1CC(=O)O ZINC000085505742 JK Annotated Anodyne in-vitro biogenic NCC[C@H]1[C@H](CCC/C=C\CCC2CCCCC2)C=C[C@@H](Cc2ccccc2)[C@@H]1CC(=O)O ZINC000085505744 JK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@H](CNC)[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505786 JK Annotated Mild in-vitro biogenic NCC[C@H](CCCC/C=C\CCC1CCCCC1)[C@H](CC(=O)O)CC1(c2ccccc2)CCCCC1 ZINC000085505794 JK Annotated Anodyne in-vitro biogenic NCC[C@H](CCCC/C=C\CCC1CCCCC1)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505797 JK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCCC[C@H](CCN)[C@H](CC1(c2ccccc2)CCCC1)[C@H](C(=O)O)[C@H](C)O ZINC000085505803 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CC)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505807 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1CC[C@H](C2(c3ccccc3)CCCC2)[C@H](CC(=O)O)[C@H]1CCN ZINC000085505812 JK Annotated Mild in-vitro biogenic CC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CCN)[C@H](CCc1ccccc1)CC(=O)O ZINC000085505816 JK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1C=C[C@@H](C2(c3ccccc3)CCCC2)[C@H](CC(=O)O)[C@H]1CCN ZINC000085505824 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCC[C@H](CCN)[C@H](CC(=O)O)CC1(c2ccccc2)CCCCC1 ZINC000085505869 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCC[C@H](CCN)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505873 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CC)CC[C@H](CCN)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505880 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCC(C)C)CC[C@H](CCN)[C@H](CCc1ccccc1)CC(=O)O ZINC000085505896 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCCC[C@H](CC1(c2ccccc2)CCCCC1)[C@H](C(=O)O)[C@H](C)O ZINC000085505924 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCCC[C@H](CC1(c2ccccc2)CCCC1)[C@H](C(=O)O)[C@H](C)O ZINC000085505926 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCC[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O)CCC(C)C ZINC000085505960 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCCC[C@H](CC(=O)O)C[C@@]1(c2ccccc2)CCC2(CCCC2)C1 ZINC000085506004 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCC[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1)CCC(C)C ZINC000085506045 JK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCCCC)CCC[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085506050 JK Annotated Mild in-vitro biogenic CC1=C(O)C(=O)C=C2[C@H]3CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000085508701 JK Annotated Mild in-vitro biogenic C/C(=C/CC[C@@H](C=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)CO ZINC000085508715 JK Annotated Anodyne C=C(/C=C/C=C(/CC)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085509064 JK Annotated Reactive in-vitro biogenic CCCCCCCC[C@H](/C=C/c1ccccc1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510275 JK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](/C=C/c1cccc(CC=O)c1)CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 ZINC000085510326 JK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)Cc1ccccc1 ZINC000085510353 JK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)C1CCCCC1 ZINC000085510356 JK Annotated Mild in-vitro biogenic O=C(O)/C=C/[C@H](CC[C@H](/C=C/c1ccccc1)CCCCCCCCCCO)Nc1[cH-]ccn1 ZINC000085510360 JK Annotated Anodyne in-vitro biogenic CCCCCCCC[C@H](CCC(C)C)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510373 JK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CCCCC)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510378 JK Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCC[C@H](CCC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1)Cc1ccc(O)cc1 ZINC000085510380 JK Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCC[C@H](CCC[C@H](/C=C/C(=O)O)Cc1cccc(O)c1)Cc1ccc(O)cc1 ZINC000085510481 JK Annotated Mild in-vitro biogenic CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]24C)[C@H]3C1 ZINC000085511275 JK Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000085511839 JK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000085529870 JK Annotated Mild in-vitro biogenic C[C@H]1[C@]2(O)C[C@H](O)[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31CO2 ZINC000085530781 JK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1(CO2)[C@@H]3[C@]45C ZINC000085530817 JK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H]3C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@H]35 ZINC000085530835 JK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000085531616 JK Annotated Mild in-vitro biogenic C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C ZINC000085531685 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@H]4CCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532513 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CCCC(C)C)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532539 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CC4CCCCC4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532565 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC4(C(C)C)CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532573 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC[C@H](C)C4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532576 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC[C@@H](C)C4CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532578 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)CCCC(C)C ZINC000085532586 JK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)CC1CCCCC1 ZINC000085532610 JK Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000085541053 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@H]2[C@]13O[C@H]3C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000085541372 JK Annotated Anodyne in-vitro biogenic CC1=C(C/C=C(\C)CCCC(C)(C)CCCC(C)(C)CCCC(C)(C)C)C(=O)c2ccccc2C1=O ZINC000085541704 JK Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@]3(C)CCCC4=CO[C@]1(CCC1=CC(=O)OC1)[C@@]1(C)C#CCCC(=O)O[C@H](C1)[C@]423 ZINC000085542471 JK Annotated Mild in-vitro biogenic CC(C)CCC[C@]12CCCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542505 JK Annotated Mild in-vitro biogenic C[C@@]1(C2CCCCC2)CCC[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542513 JK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CCC(C)C)[C@@]3(CCCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542520 JK Annotated Anodyne in-vitro biogenic C[C@@]1(C2CCCC2)CCC[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542539 JK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@@]3(CCC[C@@](C)(C4CCCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542547 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCC[C@@](C)([C@H]3CCC4(CCCC4)C3)[C@H]12 ZINC000085542548 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@@]3(CCC[C@@](C)(C4CCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542551 JK Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@H]3CC2(CCCC2)C1 ZINC000085543069 JK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCCO)[C@@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@H]3CC2(CCCC2)C1 ZINC000085543108 JK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@H](N)[C@H]2C#C[C@@H]1C=C[C@H](c2ccc(O)cc21)[C@@H]1C[C@H]3CC2(CCCC2)C1 ZINC000085543130 JK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23[C@H]4C#CCc5cc(O)ccc5C[C@H]5CC6(CCCC6)C[C@@H]2[C@H]5CC[C@@H]3C[C@@H]1[C@H]4N ZINC000085543132 JK Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(N)nc5)CC5(CCCC5)C4)(C[C@@](N)(CCO)[C@@H]31)O2 ZINC000085543148 JK Annotated Anodyne in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@H]2C#CCc1cc(O)ccc1C[C@H]1CCC[C@@H]3C1 ZINC000085543152 JK Annotated Mild in-vitro biogenic C[C@]1(C2CCCC2)O[C@@]23CC[C@@H]1[C@H](N)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@H]3CC2(CCCC2)C1 ZINC000085543174 JK Annotated Mild in-vitro biogenic C[C@]1(C2CCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@](N)(CCO)C2 ZINC000085543180 JK Annotated Anodyne in-vitro biogenic CC(C)C[C@@H]1CC[C@@]2(C1)C[C@H]1Cc3ccc(O)cc3CC#C[C@H]3[C@@H](N)[C@H]4CC[C@@]3(OC4(C)C)[C@H](C1)C2 ZINC000085543186 JK Annotated Mild in-vitro biogenic CC(C)CC[C@@H]1C[C@H]2Cc3ccc(O)cc3CC#C[C@H]3[C@](N)(CCO)[C@H]4CC[C@@]3(OC4(C)C)[C@H](C1)C2 ZINC000085543190 JK Annotated Mild in-vitro biogenic CC(C)C[C@@H]1CC[C@@]2(C1)C[C@@H](Cc1ccc(N)nc1)C[C@H]([C@@]13CC[C@@H](C(C)(C)O1)[C@](N)(CCO)C3)C2 ZINC000085543192 JK Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@](N)(CCCO)C2 ZINC000085543194 JK Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@H](N)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@@H]3CC[C@@H]1Cc1ccccc1 ZINC000085543202 JK Annotated Mild in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@H](N)C2 ZINC000085543212 JK Annotated Anodyne in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@](N)(CCO)C2 ZINC000085543229 JK Annotated Anodyne in-vitro biogenic C[C@]1(C2CCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@H](N)C2 ZINC000085543245 JK Annotated Anodyne in-vitro biogenic CC(C)CC[C@@H]1C[C@H]([C@@]23CC[C@@H](C(C)(C)O2)[C@@](N)(CCO)C3)C[C@H](Cc2ccc(N)nc2)C1 ZINC000085543260 JK Annotated Anodyne in-vitro biogenic CC(C)C[C@H]1CC[C@]2(C[C@@H](Cc3ccc(N)nc3)C[C@@H]([C@]34CC[C@H]([C@H](N)C3)C(C)(C)O4)C2)C1 ZINC000085543263 JK Annotated Anodyne in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2CCC[C@H](Cc3cc(O)cc([C@@H]4C[C@H]5CC[C@@H](C)N[C@@H]5c5ccccc54)c3)C2)C1 ZINC000085543530 JK Annotated Anodyne in-vitro biogenic CCN[C@H]1CC[C@H](c2cc(O)cc(C[C@@H]3CCC[C@@H]([C@@]4(C)C=CC[C@H](C)C4)C3)c2)c2ccccc21 ZINC000085543539 JK Annotated Anodyne in-vitro biogenic C[C@H](O)CCCc1ccccc1Cc1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543541 JK Annotated Anodyne in-vitro biogenic CCNCc1ccccc1Cc1cc(O)cc(C[C@@H]2CCC[C@@H]3[C@H]2CCC[C@@]32C=CC[C@H](C)C2)c1 ZINC000085543544 JK Annotated Anodyne in-vitro biogenic CCNCc1ccccc1Cc1cc(O)cc(C[C@@H]2C[C@@H]([C@@]3(C)C=CC[C@H](C)C3)CC3(CCCC3)C2)c1 ZINC000085543563 JK Annotated Anodyne in-vitro biogenic CCCCCc1ccccc1Cc1cc(O)cc(C[C@@H]2CCC[C@@H]3[C@H]2CCC[C@@]32C=CC[C@H](C)C2)c1 ZINC000085543567 JK Annotated Anodyne in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@H](Cc4cc(O)cc(Cc5ccccc5)c4)CC4(CCCC4)C[C@@H]32)C1 ZINC000085543571 JK Annotated Anodyne in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@H]3[C@H](Cc4cc(O)cc(C5(c6ccccc6)CCCCC5)c4)CCC[C@H]32)C1 ZINC000085543579 JK Annotated Anodyne in-vitro biogenic CC(C)CCc1ccccc1Cc1cc(O)cc(C[C@@H]2CCC[C@@H]3[C@H]2CCC[C@@]32C=CC[C@H](C)C2)c1 ZINC000085543591 JK Annotated Anodyne in-vitro biogenic CCCCCc1ccccc1Cc1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543593 JK Annotated Anodyne in-vitro biogenic CC(C)CCc1ccccc1Cc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543602 JK Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@H]1C=C[C@H]2[C@@H]3CC[C@@H](Nc4ccccc4)[C@@H]3C[C@H]2C1 ZINC000085544790 JK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@@]2([C@H]1CC[C@@H]2C=C[C@H]3[C@@H](OC=C[C@@H]3O)[C@@H]2C1)[C@@H](N)C=O ZINC000085544821 JK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@@H]1C=C[C@@H]2C[C@@H](CNc3ccccc3)C[C@H]2C1 ZINC000085544829 JK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@@]2([C@H]1CCC[C@@H]([C@H]2C[C@@H](O)C=CO2)C1)[C@@H](N)C=O ZINC000085544851 JK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@@]2([C@H]1CCC[C@H]([C@H]2C[C@@H](O)C=CO2)C1)[C@@H](N)C=O ZINC000085544854 JK Annotated Mild in-vitro biogenic C=C1[C@H]2C[C@H](C3CCCC3)C[C@H]2[C@H]2[C@@H](CC13CCCC3)[C@]2([C@H]1CCC[C@H]([C@H](O)CCO)C1)[C@@H](N)C=O ZINC000085544870 JK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@@]2(CC[C@@H]1CC[C@H](CNc2ccccc2)C1)[C@@H](N)C=O ZINC000085544896 JK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@@]2([C@H]1CCC[C@H]([C@H](O)CCCO)C1)[C@@H](N)C=O ZINC000085544919 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@](C)([C@H]3[C@@H]1C3(C)C)[C@@H](C)[C@]1(CCC[C@H]1CO)C[C@]21CC[C@H](C[C@H](CO)CC2=C[CH+]N=C2)C1 ZINC000085545093 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@H]3CCC[C@H](CO)[C@@H]3C[C@]23CC[C@@H](C[C@H](CO)CC2=C[CH+]N=C2)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545117 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)CC3(CCCC3)[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545131 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@@H](CCO)[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545135 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@@H](C)C3(CCCC3)C[C@]23CC[C@H](C[C@H](CO)CC2=C[CH+]N=C2)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545141 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@@H](C)[C@H](CCO)C[C@]23CC[C@H](C[C@H](CO)CC2=C[CH+]N=C2)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545144 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@@H](C)[C@H](CCO)C[C@]23CC[C@H](C[C@H](CC2=C[CH+]N=C2)[C@@H](O)CNC)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545149 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]34CC=C[C@H]5C[C@@H](C[C@H](CO)CC6=C[CH+]N=C6)C[C@@]25CC[C@@H]3CC=C[C@@]42[C@@H]1C2(C)C ZINC000085545158 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)CC[C@H](C3CCCCC3)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545160 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@@H](C)C3(CCCC3)C[C@]23CC[C@@H](C[C@H](CO)Cc2ccccc2)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545166 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@@H](C)[C@@H](CCO)C[C@]23CC[C@@H](C[C@H](CO)Cc2ccccc2)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545172 JK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@H](C[C@H](CO)Cc4ccccc4)C3)CC[C@H](C3CCCCC3)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545179 JK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@@]2(O)OC)[C@]1(C)C1CCCC1 ZINC000085546313 JK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@@H]2OC)[C@]1(C)C1CCCCC1 ZINC000085546379 JK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@H]2OC)[C@]1(C)C1CCCC1 ZINC000085546384 JK Annotated Mild in-vitro biogenic C=C1[C@H]2CC[C@@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@]1(C)C1CCCCC1)[C@]2(O)OC ZINC000085546400 JK Annotated Mild in-vitro biogenic C=C1[C@H]2CC[C@@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@]1(C)C1CCCC1)[C@]2(O)OC ZINC000085546405 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H]([C@@H]3CC[C@H]4CC[C@H](O)C[C@@]4(O)C3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 ZINC000085547091 JK Annotated Mild in-vitro biogenic C=C1C[C@]2(CC[C@@H]([C@@H]3CC[C@@H]4CC[C@@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C ZINC000085547100 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H]([C@H]3CC[C@@H]4CC[C@@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)C1CCCC1 ZINC000085547108 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@H](CC[C@@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)C1CCCC1 ZINC000085547135 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@H]([C@@H]3CC[C@H]4CCCC[C@@]4(O)C3)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 ZINC000085547151 JK Annotated Mild in-vitro biogenic C=C1C[C@]2(CC[C@@H]([C@H]3CC[C@@H]4CCCC[C@]4(O)C3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C ZINC000085547170 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H](CC[C@@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C1CCCCC1 ZINC000085547177 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)C1CCCC1 ZINC000085547198 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C4CCCCC4)C[C@H]1[C@@H]23 ZINC000085547207 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1C[C@@]2(C)C1CCCCC1 ZINC000085547213 JK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C1CCCCC1 ZINC000085547217 JK Annotated Mild in-vitro biogenic CO[C@H](C/C=C\C=C\CC/C=C/C[C@H](C)/C=C/C(=C\C(=O)O)CC(=O)O)/C(C)=C/C=C(\C)C(=O)O ZINC000085547417 JK Annotated Anodyne CCCCC[C@H]1C[C@H]2[C@@H]3N[C@H](CNC)CC[C@@H]3C[C@@]34[C@@H](O)[C@@H]5C=C[C@H]6C[C@]5(C)C[C@](O)(C6)[C@@H]3C[C@]24C1 ZINC000085547461 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C[C@H]2[C@@H]3N[C@@H](CNC)CC[C@H]3C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@]24C1 ZINC000085547464 JK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C[C@H]2[C@@H]3NCCC[C@H]3C[C@@]34[C@H](O)[C@@H]5C=C[C@H]6C[C@]5(C)C[C@](O)(C6)[C@@H]3C[C@]24C1 ZINC000085547500 JK Annotated Anodyne in-vitro biogenic O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H]([C@H]3CC[C@@H]4CCC5(CCCC5)[C@@H]4N3)[C@@]3(O)CN23)cc1 ZINC000085547782 JK Annotated Anodyne in-vitro biogenic CC(C)CC[C@H]1CC2(CCCC2)[C@H]2N[C@@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)N4C[C@]34O)CC[C@H]12 ZINC000085547785 JK Annotated Anodyne in-vitro biogenic CC(C)CC[C@@H]1C[C@@H](NC[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)N3C[C@]23O)C2(CCCC2)C1 ZINC000085547834 JK Annotated Anodyne in-vitro biogenic CC1=C2C[C@@]34CN5C[C@]56CC[C@H](CCCO)[C@@H]6CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1 ZINC000085548085 JK Annotated Mild in-vitro biogenic CC1=C2C[C@]34C5(CCCC5)C[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC=C1C=C[C@@]23C=C[C@]14N1C[C@@]12CC[C@H]3CCCO ZINC000085548099 JK Annotated Anodyne in-vitro biogenic CC1=C2C[C@]34[C@H]5CC[C@@H]6CCC[C@@]63C[C@@H](C)[C@@]2(CC1)[C@]4(C)CC#CC[C@@H]1[C@@H](CCCO)CC[C@]12CN52 ZINC000085548101 JK Annotated Mild in-vitro biogenic CCOCC[C@@H]1CCC[C@@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@@]2(C=CC[C@]31C)C=C[C@@H]1CCC[C@]13CN32 ZINC000085548204 JK Annotated Anodyne in-vitro biogenic C[C@H](C(=O)c1ccc[nH]1)[C@H]1O[C@@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)cccc4o3)O2)[C@H](C)C[C@H]1C ZINC000085548212 JK Annotated Anodyne CC1=C2C[C@]34CC[C@@H](C5CCCCC5)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@H]4N1C[C@]13CCC[C@H]3C2 ZINC000085548247 JK Annotated Anodyne in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](C1CCCC1)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549508 JK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](C1CCCC1)[C@@]42CC3=O ZINC000085549577 JK Annotated Reactive in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C4CCC[C@H](N=C(N)N)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O ZINC000085549581 JK Annotated Reactive in-vitro biogenic CCCCCC[C@@H]1CC[C@@H]2CC3=C4CCC[C@H](N=C(N)N)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549603 JK Annotated Reactive in-vitro biogenic C=C(C1CCCCC1)[C@H]1CC[C@](O)(C2CCCCC2)[C@H]2CC[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549801 JK Annotated Mild in-vitro biogenic C=C(C1CCCCC1)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NCCc3ccccc3)[C@H]2C1 ZINC000085549824 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@H]4C[C@@H]5C[C@H]6C[C@H](O)[C@@H](O)C[C@H]6[C@@H]5[C@@]4(C)N3)=CC(C)=C2C1 ZINC000085550010 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@@]56[C@@H](C[C@@H]7C[C@@H](O)[C@@H](O)C[C@H]75)C[C@@H](CC3)[C@@]6(C)N4)=CC(C)=C2C1 ZINC000085550016 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34CC[C@H]5C[C@@H]6C[C@@H]7C[C@H](O)[C@@H](O)C[C@@H]7[C@]6(CC3)[C@@]5(C)N4)=CC(C)=C2C1 ZINC000085550018 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@@H]4C[C@@H]5C[C@H]6C[C@@H](NC)[C@H](O)C[C@H]6[C@@H]5[C@]4(C)N3)=CC(C)=C2C1 ZINC000085550022 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@@]56[C@@H](C[C@H]7CC[C@@H](O)C[C@@H]75)C[C@@H](CC3)[C@@]6(C)N4)=CC(C)=C2C1 ZINC000085550046 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34CC[C@H]5C[C@@H]6C[C@H]7CC[C@H](O)C[C@H]7[C@]6(CC3)[C@@]5(C)N4)=CC(C)=C2C1 ZINC000085550048 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C5C=C[C@H](CO)[C@H]6CC[C@H]7C[C@@H](CC3)[C@@](C)(N4)[C@@]576)=CC(C)=C2C1 ZINC000085550051 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34CC[C@H]5C[C@@H]6CC[C@H]7[C@H](CO)C=C[C@H](C3)[C@@]67[C@@]5(C)N4)=CC(C)=C2C1 ZINC000085550055 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34CC[C@H]5C[C@@H]6CC[C@H]7[C@@H](CO)CC[C@H](C3)[C@@]67[C@@]5(C)N4)=CC(C)=C2C1 ZINC000085550058 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4[C@H]([C@]5(O)CCC[C@@H]5CCc5ccccc5)CC[C@@]42C=CC(C)=C3C1 ZINC000085550079 JK Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC2=C(C)C=C[C@@]34[C@H]5C=CC[C@@]23[C@H](CC[C@@H]4C[C@H]5[C@@]2(O)CCC[C@@H]2CCc2ccccc2)C1 ZINC000085550082 JK Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC2=C(C)C=C[C@@]34C[C@@H]([C@]5(O)CCC[C@H]5CCc5ccccc5)C[C@@H]3CC[C@H](C1)[C@]24C ZINC000085550112 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CC[C@@H]([C@]2(O)[C@@H](CCc4ccccc4)CCC24CCCC4)C3)C1 ZINC000085550116 JK Annotated Mild in-vitro biogenic C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc(O)c(c2O)C/C(C)=C/CC1)C3=O ZINC000085551885 JK Annotated Reactive CC1=C2C[C@@]34[C@H]5C=C[C@@]6(CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1)[C@@H](CCCO)CC[C@@]61CN51 ZINC000085551937 JK Annotated Mild in-vitro biogenic C[C@H]1CN2CCC[C@H]3CCCCC[C@@H]4C(=O)[C@@H](C)CN5CCC[C@@H](CCCCC[C@H](C1=O)[C@@H]32)[C@H]45 ZINC000085552642 JK Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000085553850 JK Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC3 ZINC000085553853 JK Annotated Anodyne C[C@H]1CN2CCC[C@H]3CCCCC[C@H]4C(=O)[C@@H](C)CN5CCC[C@H](CCCCC[C@H](C1=O)[C@@H]32)[C@H]45 ZINC000085561498 JK Annotated Anodyne CCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000085568581 JK Annotated Mild CCCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000085568591 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000085568604 JK Annotated Mild COc1cc2c(c3c1-c1c(cc(O)c4ccccc14)CC3)C[C@@H](O)[C@H](c1ccc(O)c3c1CCCO3)O2 ZINC000085568655 JK Annotated Anodyne in-vitro biogenic CC[C@@H]1[C@@H](CCCO)CC[C@@]12CC(c1cc(O)c(O)c3c(O)cccc13)=Cc1cc(O)c(O)cc12 ZINC000085569192 JK Annotated Clean in-vitro biogenic CNCc1ccc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)cc1 ZINC000085569211 JK Annotated Clean in-vitro biogenic OCCCc1ccc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)cc1 ZINC000085569216 JK Annotated Clean in-vitro biogenic Oc1cc2c(cc1O)[C@H](Cc1cccc3ccccc13)CC(c1cc(O)c(O)c3c(O)cccc13)=C2 ZINC000085569217 JK Annotated Clean in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3Cc3ccnc(N)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571222 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(CC3=C[CH+]N=C3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571227 JK Annotated Mild in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@H]1C2=C4C(=C(C5(CC)CCCC5)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571234 JK Annotated Anodyne in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@H]4C=C5C(=O)O/C(=C\C[C@H](C)CNC)[C@@]5(CC4)[C@@H]32)CCCC1 ZINC000085571236 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@@]3(CCOC)CC[C@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571237 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3CC3=C[CH+]N=C3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571239 JK Annotated Mild in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@H]4C=C5C(=O)O/C(=C\CCC6CCCC6)[C@@]5(CC4)[C@@H]32)CCCC1 ZINC000085571242 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cccc(O)c1)=C2C(=O)O/C3=C\CCCO ZINC000085571513 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cccc(O)c1)=C2C(=O)O/C3=C\CCC ZINC000085571529 JK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)CCC(C)C ZINC000085571539 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C=C2C(=O)O/C3=C\[C@H](CCO)Cc1ccccc1 ZINC000085571543 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\[C@H](CC)CCC(C)C)[C@]4(CC3)[C@@]21CCO ZINC000085571550 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C=C2C(=O)O/C3=C\[C@H](CC)Cc1ccccc1 ZINC000085571555 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C=C2C(=O)O/C3=C\[C@H](CCO)CCC(C)C ZINC000085571556 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C=C2C(=O)O/C3=C\[C@H](CC)CCC(C)C ZINC000085571567 JK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@]1(Cc3ccccc3)[C@@H]3C=C4C(=O)O/C(=C\CCC)[C@]4(CC3)[C@@H]21 ZINC000085571587 JK Annotated Anodyne in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=N)NC)C[C@@]34CC[C@H](CCO)C4)s2)s1 ZINC000085592338 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=N)NC)C[C@@]34CC[C@H](CNC)C4)s2)s1 ZINC000085592340 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@]4(CNC(=N)NC)CC[C@@H]5CCC[C@]53C4)s2)s1 ZINC000085592344 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@]4(CNC(=N)NC)C=C[C@H]5CCC[C@]53C4)s2)s1 ZINC000085592345 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=N)NC)CC34CCCC4)s2)s1 ZINC000085592350 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CNC(=N)NC4CCCCC4)CC3)s2)s1 ZINC000085592353 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNCc4ccccc4)CC34CCCC4)s2)s1 ZINC000085592356 JK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CN[C@@H](CNC)c4ccccc4)CC3)s2)s1 ZINC000085592357 JK Annotated Mild in-vitro biogenic O[C@@H]1c2cc(OC3CCCC3)ccc2OC[C@@H]1[C@@H]1COc2ccc(OC3CCCC3)cc2[C@@H]1O ZINC000085593010 JK Annotated Anodyne in-vitro biogenic O[C@@H]1c2cc(OC3CCCC3)ccc2OC[C@@H]1[C@@H]1COc2ccc(OC3CCCCC3)cc2[C@@H]1O ZINC000085593012 JK Annotated Anodyne in-vitro biogenic CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)C1=CCC[C@@H](OC(C)=O)C1=O)OC ZINC000085593795 JK Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)NC/C(=C/Cl)C1=CCC[C@@H](OC(C)=O)C1=O)OC ZINC000085593797 JK Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000085593921 JK Annotated Reactive C=C(C)[C@@H](O)CC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000085593923 JK Annotated Reactive CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O ZINC000085594120 JK Annotated Anodyne C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(C5(O)CCCCC5)cc(=O)c4c3OC3CCCC3)O[C@@H]21 ZINC000085594439 JK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(C2(c3ccc(N)nc3)CCCC2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594687 JK Annotated Anodyne in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595000 JK Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595031 JK Annotated Anodyne in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)C(=C2CCC(=O)CC2)C=C(C(=O)OCC)O3)O1 ZINC000085595043 JK Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)C2CCCC2)O3)O1 ZINC000085595045 JK Annotated Anodyne in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)/C(=C/CC(C)C)C=C(C(=O)OCC)O3)O1 ZINC000085595060 JK Annotated Anodyne in-vitro biogenic C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@H](C)C1=CC(C)(C)[C@H](C)CC1 ZINC000085595275 JK Annotated Mild C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@H](C)C1=CC(C)(C)[C@@H](C)CC1 ZINC000085595276 JK Annotated Mild C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@@H](C)C1=CC(C)(C)[C@H](C)CC1 ZINC000085595279 JK Annotated Mild C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@@H](C)C1=CC(C)(C)[C@@H](C)CC1 ZINC000085595281 JK Annotated Mild COc1cc(CC[C@H](CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2CCCCC2)OC(C)=O)ccc1O ZINC000085595857 JK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2cccc(NC[C@H](C)O)c2)cc1OC ZINC000085596198 JK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CC2(CCCCCc3ccccc3)CCCC2)cc1OC ZINC000085596220 JK Annotated Anodyne in-vitro biogenic CCCC1CCC(O)(CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)CC1 ZINC000085596236 JK Annotated Anodyne in-vitro biogenic CCC[C@@H]1C=C[C@@](O)(CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)CC1 ZINC000085596239 JK Annotated Anodyne in-vitro biogenic CCCCCC[C@H](O)CC(=O)CCc1ccc(OC)c(OCc2ccc3cc(O)cc(CC)c3c2)c1 ZINC000085596241 JK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCC[C@H](C)CO)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596251 JK Annotated Anodyne in-vitro biogenic COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@H]2C[C@H](c3ccc(O)c(CCC(C)C)c3)CC[C@H]2[C@H]1O ZINC000085596386 JK Annotated Clean in-vitro biogenic CCCCCc1cc([C@@H]2CC[C@@H]3[C@H](C2)O[C@@H]2c4cc(O)c(O)c(OC)c4C=C[C@H]2[C@@H]3O)ccc1O ZINC000085596396 JK Annotated Clean in-vitro biogenic COc1cc([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c(CCC(C)C)c4)C[C@@H]3O2)cc(O)c1O ZINC000085596402 JK Annotated Clean in-vitro biogenic CCCCCc1cc([C@H]2CC[C@H]3[C@@H](O)C[C@@H](c4cc(O)c(O)c(OC)c4)O[C@H]3C2)ccc1O ZINC000085596406 JK Annotated Clean in-vitro biogenic CCCCCc1cc(CC[C@H]2C[C@@H](O)[C@@H]3C=Cc4c(cc(O)c(O)c4OC)[C@H]3O2)ccc1O ZINC000085596416 JK Annotated Clean in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)CSSC1 ZINC000085596472 JK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)c3c2C[C@H]2CC1=Cc1c2c(cc2ccccc12)C3 ZINC000085596476 JK Annotated Mild in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)c(c3CC2)Cc2cc(c3ccccc3c2)CC1 ZINC000085596478 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c([N+]2=CC3=NC=CC3=C2c2cccc(O)c2)c1 ZINC000085596483 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2ccccc2)c1 ZINC000085596488 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c([N+]2=CC3=NC=C(Cc4ccccc4)C3=C2)c1 ZINC000085596491 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c2c1CCc1cc3ccccc3cc1C2 ZINC000085596494 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c2c1C=Cc1cc3ccccc3cc1C2 ZINC000085596496 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C1=C/c2cc(c(O)c(OC)c2)Cc2cc3ccccc3cc2CC#C1 ZINC000085596497 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(CCC(C)C)c1 ZINC000085596500 JK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)C1=Cc2cc(OC)c(O)c(Cc3ccc4ccccc4c3)c2CC1 ZINC000085596504 JK Annotated Mild in-vitro biogenic CC[C@@H]1CCC[C@H]1Oc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O ZINC000085596673 JK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)/C=C/CCc2cc(NC(=N)NC3CCCCC3)c(O)c(OC)c2)ccc1O ZINC000085597109 JK Annotated Mild in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O)CC(=O)CC2 ZINC000085597444 JK Annotated Reactive in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](C)C[C@H]([C@H](C)O)O2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597452 JK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](C)C[C@H](CCCO)O2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597459 JK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H]2C[C@@H](C3CCCC3)CCO2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597461 JK Annotated Anodyne in-vitro biogenic CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1)OCNC ZINC000085597468 JK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H](O)CCC2CCCC2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597473 JK Annotated Anodyne in-vitro biogenic CCC[C@H](CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)OCNC ZINC000085597499 JK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)C[C@H](O)CCC1CCCC1 ZINC000085597502 JK Annotated Anodyne in-vitro biogenic CCCCCCCc1c(C)c(O)c(NC(=O)NC(=O)NCC(C)C)c2c1[nH]c1ccccc12 ZINC000085597945 JK Annotated Mild CC(C)=CCC/C(C)=C/CN1C2=C/C(=C(/C#N)c3ccccc3)C(=O)C(C(=O)O)=C2Nc2ccccc21 ZINC000085598123 JK Annotated Reactive [C-]#[N+][C@@H](C)C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC)OC ZINC000085598421 JK Annotated Reactive CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000085598953 JK Annotated Anodyne CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)c3c2C=Cc2c(cc4ccccc4c2CC1)C3 ZINC000085599659 JK Annotated Mild in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(c(O)c(OC)c2)Cc2cc(c3ccccc3c2)CC1 ZINC000085599661 JK Annotated Mild in-vitro biogenic CC(/C=C/C=C/C=C/C=C(\C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000085600259 JK Annotated Anodyne CC(/C=C/C=C/C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000085600262 JK Annotated Anodyne CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C(C(C)C)C=N3)c2)c[c-]1CO ZINC000085624374 JK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)C4CCCC4)C=N3)c2)c[c-]1CO ZINC000085624377 JK Annotated Mild in-vitro biogenic CC(C)C1=C[C+](CCOc2cc(CCc3c[c-](CO)c(CCCCCCCN)[o+]3)ccc2O)N=C1 ZINC000085624399 JK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC3([C+]4C=C(C(C)C)C=N4)CCCCC3)c2)c[c-]1CO ZINC000085624407 JK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CNC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624410 JK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624414 JK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CCNC)C=N3)c2)c[c-]1CO ZINC000085624416 JK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CCCCO)C=N3)c2)c[c-]1CO ZINC000085624418 JK Annotated Mild in-vitro biogenic CC(C)C1=C[C+](CCOc2cc(CCc3c[cH-]c(CCCCCCCN)[o+]3)ccc2O)N=C1 ZINC000085624439 JK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC3([C+]4C=C(C(C)C)C=N4)CCCCC3)c2)[o+]1 ZINC000085624447 JK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CCCCO)C=N3)c2)[o+]1 ZINC000085624458 JK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@H](OC(C)=O)[C@@H]2C[C@]3(C=CC=C[C@@H]3C)CC[C@H]2C2=C[CH+]N=C2)ccc1O ZINC000085624607 JK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@H](OC(C)=O)[C@@H](CC2=C[CH+]N=C2)C[C@H]2C=CC=C[C@@H]2C)ccc1O ZINC000085624664 JK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@H](C2=C[CH+]N=C2)[C@@H]([C@H](CC(=O)C[C@H](CC(C)C)c2ccc(O)c(OC)c2)OC(C)=O)C1 ZINC000085624671 JK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@@H](CC[C@@]2(CC3=C[CH+]N=C3)C=CC=C[C@@H]2C)OC(C)=O)ccc1O ZINC000085624680 JK Annotated Mild in-vitro biogenic CCCCC[C@H](C[C@H](CC)CC1=C[CH+]N=C1)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085624707 JK Annotated Mild in-vitro biogenic CCCC[C@H](CC1=C[CH+]N=C1)[C@H](CC(=O)C[C@H](CC(C)C)c1ccc(O)c(OC)c1)OC(C)=O ZINC000085624732 JK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)C[C@H](CC(C)C)c1ccc(O)c(OC)c1)OC(C)=O)CC1=C[CH+]N=C1 ZINC000085624743 JK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@@H]2C[C@H](OC)CC[C@H]2CC(C)C)c1 ZINC000085625116 JK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)CCC(C)=O)c1)CO ZINC000085625126 JK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)[C@H]2CCC[C@H](C)C2)c1 ZINC000085625127 JK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)CCC(C)C)c1)CO ZINC000085625132 JK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)CCC(C)=O)c1)CCO ZINC000085625134 JK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)[C@@H]2C=CC[C@@H](C)C2)c1 ZINC000085625137 JK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)CCC(C)C)c1)CCO ZINC000085625141 JK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)Cc2ccccc2)c1 ZINC000085625153 JK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC2CCCC2)CCC(C)=O)c1 ZINC000085625157 JK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC2CCCC2)CCC(C)C)c1 ZINC000085625164 JK Annotated Mild in-vitro biogenic CCCCC[C@H](CC(=O)C[C@H](O)CC1(c2ccc(O)c(O)c2)CCCCC1)c1ccc(O)c(OC)c1 ZINC000085626281 JK Annotated Clean in-vitro biogenic CCCCC[C@H](CC(=O)C[C@H](O)CC1(c2ccc(O)c(O)c2)CCCC1)c1ccc(O)c(OC)c1 ZINC000085626283 JK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3nc[cH-]c3[C@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085627090 JK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)CC(=O)C[C@H](CCCCc2cccc(O)c2)c2cnc[cH-]2)ccc1O ZINC000085627113 JK Annotated Anodyne in-vitro biogenic CCCC[C@@H]1CC[C@](CCc2cc(CNC)c(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O ZINC000085627545 JK Annotated Clean in-vitro biogenic CC(=O)O[C@@]1(CCc2ccc(O)c(OC3CCCC3)c2)CC[C@H](CCCCCCO)[C@H](O)C1 ZINC000085627591 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]1(CCc2ccc(O)c(OC3CCCC3)c2)CC[C@@H](CCCC2CCCCC2)[C@H](O)C1 ZINC000085627620 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]1(CCc2ccc(O)c(OC3CCCC3)c2)CC[C@@H](CCCCCCCO)[C@H](O)C1 ZINC000085627623 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627627 JK Annotated Clean in-vitro biogenic CC(=O)O[C@@]1(CCc2ccc(O)c(OC3CCCC3)c2)CC[C@@H](CCCC2CCCC2)[C@H](O)C1 ZINC000085627648 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1ccc(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCC1CCCCC1 ZINC000085627725 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@H]2CCNC3(CCCC3)C2)c1)OC(C)=O ZINC000085628431 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@@H]2CCN[C@H](Cc3ccccc3)C2)c1)OC(C)=O ZINC000085628463 JK Annotated Anodyne in-vitro biogenic CCCCC[C@H](CC)CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O ZINC000085628491 JK Annotated Anodyne in-vitro biogenic C[C@@H]1C#Cc2cc(N)ncc2CO[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CCC1 ZINC000085628564 JK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CC[C@H](CC(C)C)C3=[N+]2C=C2N=CC=C23)c1 ZINC000085629083 JK Annotated Anodyne in-vitro biogenic CC(C)CCC1=[N+](COc2cc(CCC(=O)C[C@H](O)[C@@H]3C=C[C@H](C)CC3)ccc2O)C=C2N=CC=C21 ZINC000085629089 JK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CC3(CCCC3)CC[C@H]2CCCO)c1 ZINC000085629103 JK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(O[C@@H]2CCCC3(CCCC3)C2)c1)C[C@H](O)CCCCC1CCCCC1 ZINC000085629115 JK Annotated Anodyne in-vitro biogenic CC1(CCC[C@@H](O)CC(=O)CCc2ccc(O)c(O[C@@H]3CCCC4(CCCC4)C3)c2)CCCC1 ZINC000085629127 JK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4ccccc4)C3=C2)c1 ZINC000085629185 JK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC[N+]2=CC3=CC=NC3=C2)c1)C[C@H](O)CCCCC1CCCCC1 ZINC000085629223 JK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(OC[N+]2=CC3=CC=NC3=C2)c1 ZINC000085629265 JK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@H](CC2CCCCC2)OC(C)=O)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629448 JK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCCCC[C@H](CC(C)C)C2)OC(C)=O)ccc1O ZINC000085629469 JK Annotated Anodyne in-vitro biogenic CCCCCc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)cc(OC)c1O ZINC000085629537 JK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccc(O)cc2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629560 JK Annotated Anodyne in-vitro biogenic CCCCCc1cc(CC[C@H](C[C@H](CCCCC)OC(C)=O)OC(C)=O)cc(OC)c1O ZINC000085629573 JK Annotated Anodyne in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc3c(c2)=C[CH+]N=3)c1 ZINC000085629900 JK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1 ZINC000085629970 JK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)[C@H](Cc1ccc(O)c(OC2CCCC2)c1)c1ccc2ccc(O)cc2c1 ZINC000085630032 JK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2)c1)CCc1ccccc1 ZINC000085630050 JK Annotated Mild in-vitro biogenic COc1cc(C[C@H](C(=O)/C=C/CCCCC[C@H](C)O)c2ccc3ccc(O)cc3c2)ccc1O ZINC000085630087 JK Annotated Mild in-vitro biogenic CCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2)c1)CCC(C)C ZINC000085630099 JK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C1=C/c2cc(c(O)c(OC)c2)Cc2cc3ccccc3cc2CC#C1 ZINC000085630701 JK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C(\CO)c1cc(Cc2ccc3ccccc3c2)c(O)c(OC)c1 ZINC000085630704 JK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1CC1=C2C=CC=C[C+]2N=C1 ZINC000085630715 JK Annotated Mild in-vitro biogenic CCCC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2ccc(N)nc2)CCCC1 ZINC000085630720 JK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(Cc2ccc3ccccc3c2)c(O)c(OCO)c1 ZINC000085630751 JK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)C1=Cc2cc(OC)c(O)c(Cc3ccc4ccccc4c3)c2CC1 ZINC000085630754 JK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCCCCC(C)C)c(Cc2ccc(N)nc2)cc1O ZINC000085630772 JK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@]1(CC[C@H](C3CCC(C4CCC(=O)CC4)CC3)C[C@H]1O)C(=O)CC2 ZINC000085631259 JK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@]1(CC[C@@H](CC[C@@H]3CC[C@@H]4CC(=O)CC[C@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085631298 JK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](c1ccccc1)C#CC[C@@H](CCC1CCCCC1)C(=O)[C@H](O)C(=O)CC2 ZINC000085631575 JK Annotated Mild in-vitro biogenic CCCC[C@H]1CCC[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631583 JK Annotated Mild in-vitro biogenic CCC[C@H](CO)CC[C@@H]1CC#C[C@@H](c2ccccc2)c2cc(O)c(OC)cc2CCC(=O)CC1=O ZINC000085631605 JK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](c1ccccc1)C#CC[C@@H](CCC1CCCCC1)C(=O)CC(=O)CC2 ZINC000085631607 JK Annotated Mild in-vitro biogenic CC1(C)CC[C@@H]([C@]2(C)OC(=O)[C@]34CC=C5C(=CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]3(C)CC[C@]24O)O1 ZINC000085637919 JK Annotated Anodyne O=C(O)CCC/C=C(\Br)CCC#C/C=C/CC/C=C/C#C/C=C/Br ZINC000085639199 JK Annotated Mild CC(=O)CC[C@H]1[C@@H]([C@H]2C(=O)CC[C@@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000085639926 JK Annotated Anodyne in-man CC(=O)CC[C@H]1[C@@H]([C@H]2C(=O)CC[C@@]2(C)[C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C ZINC000085639929 JK Annotated Anodyne in-man CO[C@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@H]12 ZINC000085640260 JK Annotated Anodyne in-man CO[C@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC[C@@]1(CO)CC[C@H](C)[C@@H](C)[C@H]12 ZINC000085640262 JK Annotated Anodyne in-man CO[C@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC[C@]1(CO)CC[C@@H](C)[C@@H](C)[C@@H]21 ZINC000085640265 JK Annotated Anodyne in-man CO[C@]12C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC[C@]1(CO)CC[C@H](C)[C@@H](C)[C@@H]21 ZINC000085640269 JK Annotated Anodyne in-man CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC/C=C(\C)CC[C@@H](O)[C@](C)(O)CCC=C(C)C)O1 ZINC000085640538 JK Annotated Anodyne CC(C)=CC(=O)C[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@@]3(C)[C@H](C(C)(C)O)CC[C@]2(C)[C@H]13 ZINC000085641007 JK Annotated Mild CC(C)=CC(=O)C[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000085641010 JK Annotated Anodyne CC(C)=CC(=O)C[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000085641014 JK Annotated Mild C/C(=C\Cc1ccccc1)CCC(=O)C[C@H]1C[C@H](O)C/C(C)=C/C/C=C/C/C(CC(=O)O)=C\C(=O)O1 ZINC000085641483 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@]4(C)CC[C@]3(COC4=O)[C@H](O)C[C@]12C ZINC000085642854 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(C)CC[C@]5(COC6=O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000085642858 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(C)CC[C@]5(COC6=O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000085642860 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CO)CC[C@]3(C)[C@H](O)C[C@]12C ZINC000085642863 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000085642868 JK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]2(C)C[C@H](O)[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000085642888 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]2(C)C[C@H](O)[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000085642891 JK Annotated Anodyne in-vitro biogenic CO[C@H]1C=C(C)[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12C ZINC000085643377 JK Annotated Anodyne in-vitro biogenic CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C1=CC[C@@H](O)[C@H](C)C1=O)OC ZINC000085644160 JK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC[C@@](C)(O)C(C)(C)C)CC[C@@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000085644446 JK Annotated Anodyne CCCCCCCCCCCCCC1=C(CCCCCCCCCCCCC)CC(CO)=C(C)C1 ZINC000085645789 JK Annotated Mild C=CCCCCCCCCCC[C@H](C)CCC[C@H](C)CCCCCCCCCCCCCCCC ZINC000085646771 JK Annotated Mild C=CCCCCCCCCCC[C@H](C)CCC[C@@H](C)CCCCCCCCCCCCCCCC ZINC000085646773 JK Annotated Mild C=CCCCCCCCCCC[C@@H](C)CCC[C@H](C)CCCCCCCCCCCCCCCC ZINC000085646774 JK Annotated Mild C=CCCCCCCCCCC[C@@H](C)CCC[C@@H](C)CCCCCCCCCCCCCCCC ZINC000085646777 JK Annotated Mild C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCN(CCc2ccc(O)cc2)C1=O ZINC000085663155 JK Annotated Anodyne Nc1ccc(-c2cc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3N)ccc2Cl)cc1 ZINC000085679109 JK Annotated Anodyne Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2c(F)cccc2F)c1 ZINC000085679112 JK Annotated Anodyne Cc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)cc1-c1c(F)cccc1F ZINC000085679115 JK Annotated Anodyne Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-n2cccc2)c1 ZINC000085679150 JK Annotated Anodyne Oc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2)c1 ZINC000085679159 JK Annotated Clean Fc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1 ZINC000085679182 JK Annotated Anodyne COc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2)c1 ZINC000085679241 JK Annotated Anodyne CC1(C)C[C@H]2[C@]3(CO[C@@]24CC[C@@H]2[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]2(C)[C@]4(C)C[C@@H]3O)[C@H](O)C1 ZINC000085702906 JK Annotated Anodyne in-man CC1(C)C[C@@H](O)[C@]23CO[C@@]4(CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000085702907 JK Annotated Anodyne in-man CC(C)=CCC/C(C)=C/CC1=C(OC(=O)C(C)C)C(=O)C(OC(=O)C(C)C)=C(CC=C(C)C)C1=O ZINC000085725299 JK Annotated Mild in-vitro biogenic C/C=C(/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000085735153 JK Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000085758718 JK Annotated Anodyne in-man C/C1=C/[C@H]2[C@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000085758719 JK Annotated Anodyne in-man C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000085758742 JK Annotated Anodyne in-man C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000085758744 JK Annotated Anodyne in-man C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000085758746 JK Annotated Anodyne in-man C/C1=C/CC[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000085758748 JK Annotated Anodyne in-man C/C1=C/CC[C@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000085758754 JK Annotated Anodyne in-man endogenous C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000085758756 JK Annotated Anodyne in-man CC1=C[C@@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000085762417 JK Annotated Anodyne CC1=C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O ZINC000085762421 JK Annotated Anodyne CC1=CC[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]45C[C@@]24[C@@H]1C[C@H]1C(C)(C)OC(=C(C(C)C)C3=O)[C@]14O5 ZINC000085772474 JK Annotated Mild CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)C(C)C)(C1=O)C3=O ZINC000085798405 JK Annotated Mild CCCCCCC[C@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@]2(C)O1 ZINC000085800783 JK Annotated Mild in-man CCCCCCC[C@@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@]2(C)O1 ZINC000085800787 JK Annotated Mild in-man CCCCCCC[C@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@]2(C)O1 ZINC000085800791 JK Annotated Mild in-man CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C3/CC(C)(C)[C@@H]3CC[C@]2(C)O1 ZINC000085800794 JK Annotated Mild in-man endogenous C=C1CC[C@H]2CC=C(C#CC#CC[C@@H]3O[C@@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000085800796 JK Annotated Mild in-man C=C1CC[C@H]2CC=C(C#CC#CC[C@@H]3O[C@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000085800798 JK Annotated Mild in-man C=C1CC[C@H]2CC=C(C#CC#CC[C@H]3O[C@@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000085800800 JK Annotated Mild in-man C=C1CC[C@H]2CC=C(C#CC#CC[C@H]3O[C@H]3CCCCCCC)O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C ZINC000085800802 JK Annotated Mild in-man CCCCCCC[C@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@H](CC[C@]2(C)O1)C3(C)C ZINC000085800805 JK Annotated Mild in-man CCCCCCC[C@@H]1O[C@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@H](CC[C@]2(C)O1)C3(C)C ZINC000085800812 JK Annotated Mild in-man CCCCCCC[C@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@H](CC[C@]2(C)O1)C3(C)C ZINC000085800815 JK Annotated Mild in-man CCCCCCC[C@@H]1O[C@@H]1CC#CC#CC1=CC[C@@H]2CC/C(C)=C\[C@@H]3[C@H](CC[C@]2(C)O1)C3(C)C ZINC000085800818 JK Annotated Mild in-man endogenous Cc1coc(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)c1 ZINC000085802590 JK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc(O)ccc3[C@H]3[C@@H](c4cc(O)cc(O)c4)c4c(O)cc(O)cc4[C@H]32)cc1 ZINC000085811874 JK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCC(=O)OCCc1c(C)cc2c(c1C)C(=O)[C@](C)(CO)C2 ZINC000085812178 JK Annotated Mild in-vitro biogenic CCCCCCCCCCCCCCCC(=O)OCCc1c(C)cc2c(c1C)C(=O)[C@H](C)[C@H]2O ZINC000085812221 JK Annotated Mild in-vitro biogenic C=C(C)c1ccc(C)c2ccc(COC(=O)CCCCCCCCCCCCCCCCC)c-2c1 ZINC000085827119 JK Annotated Mild in-man endogenous CC(C)=CCc1c(C)cc(O)c2c(O)c3c(cc12)[C@]1(CC=C(C)C)C[C@H](O)C(C)(C)[C@H](C3=O)C1=O ZINC000085829509 JK Annotated Anodyne CCCCCCCCC/C=C/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C[C@H](C)O)OC=C2C1=O ZINC000085840944 JK Annotated Mild C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H]1C(=C)CC[C@@H](C)C1(C)C)CC[C@@H](C)[C@@H](C)CC[C@@H](C)C(C)C ZINC000085842523 JK Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000085844641 JK Annotated Anodyne in-man CC[C@H](C)C[C@@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000085844645 JK Annotated Anodyne in-man CC[C@@H](C)C[C@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000085844648 JK Annotated Anodyne in-man CC[C@H](C)C[C@H](C)/C=C(\C)[C@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000085844651 JK Annotated Anodyne in-man COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]12C ZINC000085846494 JK Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C ZINC000085846500 JK Annotated Anodyne CC1=CC(=O)c2c(c(C3=C(C)C(=O)c4cc5ccccc5c(O)c4C3=O)c3ccccc3c2O)C1=O ZINC000085853160 JK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@@]3(C)[C@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000085853386 JK Annotated Mild in-man C=C(C)[C@H]1CCC2=C(CC[C@@]3(C)[C@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000085853388 JK Annotated Mild in-man C=C(C)[C@@H]1CCC2=C(CC[C@@]3(C)[C@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000085853392 JK Annotated Mild in-man C=C(C)[C@H]1CCC2=C(CC[C@@]3(C)[C@H]4C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000085853394 JK Annotated Mild in-man C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000085854668 JK Annotated Mild CCCCCCCCCC(=O)O[C@@H]1c2cc(C)c(O)c(OC)c2C(=O)c2c1cc(O)c(O)c2OC ZINC000085864917 JK Annotated Mild in-vitro biogenic CCCCCCCCCC(=O)O[C@H]1c2cc(C)c(O)c(OC)c2C(=O)c2c1cc(O)c(O)c2OC ZINC000085864920 JK Annotated Mild COC(C)(C)CCC[C@@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]45C)[C@@]2(C)CC[C@@H]31 ZINC000085868894 JK Annotated Anodyne C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000085869012 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000085876878 JK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000085877703 JK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000085877722 JK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@@H]2[C@]1(C)CC3 ZINC000085883355 JK Annotated Anodyne in-man CC1(C)C(=O)CC[C@@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@@H]2[C@]1(C)CC3 ZINC000085883357 JK Annotated Anodyne in-man CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@@H]2[C@]1(C)CC3 ZINC000085883360 JK Annotated Anodyne in-man CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@@H]2[C@]1(C)CC3 ZINC000085883363 JK Annotated Anodyne in-man CC(=O)/C=C/C(=O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000085884222 JK Annotated Mild COC(=O)/C(=C/CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O)CCC=C(C)C ZINC000085885530 JK Annotated Anodyne CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000085885787 JK Annotated Mild in-man endogenous CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000085885791 JK Annotated Mild in-man endogenous Oc1ccc(/C=C2\c3cc(O)cc(O)c3[C@H](c3cc(O)cc(O)c3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000085896636 JK Annotated Anodyne in-man Oc1ccc(/C=C2\c3cc(O)cc(O)c3[C@@H](c3cc(O)cc(O)c3)[C@H]2c2ccc(O)cc2)cc1 ZINC000085896638 JK Annotated Anodyne in-man C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000085896828 JK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000085896927 JK Annotated Anodyne CCCCCCCC1=CC(=O)C=C(OC)[C@@]12C(=O)Oc1cc(O)c(C(=O)O)c(CCCCCCC)c12 ZINC000085900280 JK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000085908568 JK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@]1(C)CC2=C(C1)[C@@]1(C)CCC1=C(C)C2=O ZINC000085911646 JK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCCC(=O)O1 ZINC000085913669 JK Annotated Mild CC(C)=CCCC1=CC[C@@]23C(=O)C(C(C)C)=C(O)C(=O)[C@]2(C1)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]3C=O ZINC000085916178 JK Annotated Mild CC(=O)Oc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)C4=C(CC[C@H]23)C(C)(C)OOC(=O)CC4)c1 ZINC000085917046 JK Annotated Reactive COc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)C4=C(CC[C@H]23)C(C)(C)OOC(=O)CC4)c1 ZINC000085917060 JK Annotated Reactive CC1=C[C@@H](O)[C@@]2(C)[C@@H](O)C[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C ZINC000085917732 JK Annotated Anodyne in-man CC1=C[C@@H](O)[C@@]2(C)[C@@H](O)C[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C ZINC000085917736 JK Annotated Anodyne in-man COC(=O)[C@H](CCC#CC=C(Cl)Cl)[C@H](CCC/C=C/CC(Cl)Cl)NC(C)=O ZINC000085918793 JK Annotated Reactive COC(=O)[C@H](CCCCCC(Cl)Cl)[C@H](CCCC#CC=C(Cl)Cl)NC(C)=O ZINC000085918804 JK Annotated Reactive C=CCCCCCCC[C@@H](OC(=O)CCCCCCCCCCC)[C@H]1C[C@H](O)[C@H](CCCCC)O1 ZINC000085924305 JK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@]1(C)C(=O)C=C2C=C(C)OC=C2C1=O ZINC000085932983 JK Annotated Mild C/C(=C/CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)CO ZINC000085934037 JK Annotated Anodyne C[C@@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000085934060 JK Annotated Anodyne C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000085934064 JK Annotated Anodyne CC1=C[C@@H](/C=C(\C)CCCc2ccoc2)[C@]2(OC(=O)C(C)=C2OS(=O)(=O)O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000085942268 JK Annotated Anodyne CNCCc1c2n(c3ccccc13)[C@@H](c1[nH]c3ccccc3c1CCN(C)C)[C@H]1[C@@H]2C=C(C)CC1(C)C ZINC000085943630 JK Annotated Anodyne CNCCc1c([C@H]2[C@H]3[C@H](C[C@](C)(O)CC3(C)C)c3c(CCNC)c4ccccc4n32)[nH]c2ccccc12 ZINC000085943643 JK Annotated Anodyne COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)OC)c3c(=O)c2c2c1CCC(C)(C)O2 ZINC000085945545 JK Annotated Bother COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@@H](O)C=C(C)C)c1O ZINC000085945761 JK Annotated Anodyne COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)[C@H](O)[C@H](O)C=C(C)C)c1O ZINC000085945763 JK Annotated Anodyne Oc1cc2c(cc1Cl)-c1ccc(cc1O)C[C@@H](Cl)c1ccc(O)c(c1)-c1cc(ccc1O)CC2 ZINC000085947350 JK Annotated Reactive Oc1cc2c(cc1Cl)-c1cc(Cl)c(cc1O)/C=C\c1ccc(O)c(c1)-c1cc(ccc1O)CC2 ZINC000085947352 JK Annotated Anodyne O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCO[C@H](CO)CO1 ZINC000085951239 JK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O ZINC000085951320 JK Annotated Bother in-vitro CC(C)C1=CC2=CC=C3C(C)(C)C[C@@H](OC(=O)c4ccc(O)c(O)c4)C[C@]3(C)C2=C(O)C1=O ZINC000085967772 JK Annotated Mild in-vitro biogenic CC(C)C1=CC2=CC=C3[C@](C)(COC(=O)c4ccc(O)c(O)c4)CCC[C@@]3(C)C2=C(O)C1=O ZINC000085967952 JK Annotated Mild C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000085973939 JK Annotated Reactive C=CC(C)(C)C1=C[C@@]23CC[C@@H](OC2=CC1=O)c1c(CC=C(C)C)c(CC=C(C)C)c(O)c(O)c13 ZINC000085989187 JK Annotated Mild Cc1c(O)cc(/C=C/C=C/C=C/C=C/c2[nH]cc(Br)c2Br)oc1=O ZINC000085989346 JK Annotated Anodyne C[C@H](CCOC(=O)/C=C/c1ccccc1)CC[C@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000085994226 JK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000085995261 JK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000085995409 JK Annotated Anodyne C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000085995605 JK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@]1(C)CCC(=O)O ZINC000085995606 JK Annotated Mild in-man C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000085995607 JK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)O)[C@@]1(C)CCC(=O)O ZINC000085995608 JK Annotated Mild in-man C=C(C)[C@H](Cc1c2c(c3oc4c(O)c5c(cc4c(=O)c3c1O)C=CC(C)(C)O5)C=CC(C)(C)O2)OO ZINC000085995918 JK Annotated Reactive Cc1cc(O)cc2oc3c(-c4c(O)cc(C)c5c4oc4cc(O)cc(C)c45)c(O)cc(C)c3c12 ZINC000085996176 JK Annotated Anodyne Cc1cc(O)cc2oc3cc(O)c(-c4c(O)cc(C)c5c4oc4cc(O)cc(C)c45)c(C)c3c12 ZINC000085996177 JK Annotated Anodyne CO[C@@](C)(CC(C)(C)c1cc2cc(C(C)=O)c(O)cc2o1)c1cc2cc(C(C)=O)c(O)cc2o1 ZINC000085996917 JK Annotated Anodyne Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000085998206 JK Annotated Mild Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@@H](c1ccccc1)CC2=O ZINC000085998207 JK Annotated Mild CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)[C@@H]1C[C@H](O)C(C)(C)O1)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000086007504 JK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)[C@@H]1C[C@H](O)C(C)(C)O1)C/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000086007523 JK Annotated Mild COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@H](O)C[C@H]2OC2(C)C)c1 ZINC000086007543 JK Annotated Anodyne COc1cc(C)c(OC)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)C[C@H]2OC2(C)C)c1 ZINC000086007556 JK Annotated Anodyne CCCCCCCCCCCCCC/C=C/CC(=O)O[C@@H]1C=C(CO)[C@@H](OC)[C@H](OC)C1 ZINC000086008830 JK Annotated Mild Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@](C)(O)C[C@H]4[C@]3(C)CC[C@]12C ZINC000086009615 JK Annotated Mild C=C(C)[C@@H](C)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000086022387 JK Annotated Mild CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@H]2C ZINC000086022935 JK Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000086022939 JK Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@H]2C1=C[C@H](C(C)(C)O)CC[C@H]2C ZINC000086022943 JK Annotated Anodyne in-man C=C1CC[C@@H]([C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000086022959 JK Annotated Mild in-man C=C1CC[C@@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000086022961 JK Annotated Mild in-man C=C1CC[C@H]([C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000086022970 JK Annotated Mild in-man C=C1CC[C@H]([C@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000086022972 JK Annotated Mild in-man CO[C@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@](C)(CC[C@H]5[C@](C)(CO)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@]21C ZINC000086029380 JK Annotated Anodyne in-man CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@](C)(CC[C@H]5[C@](C)(CO)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@]21C ZINC000086029385 JK Annotated Anodyne in-man CO[C@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@](C)(CC[C@H]5[C@](C)(CO)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]21C ZINC000086029388 JK Annotated Anodyne in-man CO[C@@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@](C)(CC[C@H]5[C@](C)(CO)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]21C ZINC000086029392 JK Annotated Anodyne in-man C[C@@H]1CC[C@H](c2ccoc2)N2[C@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H](c6ccoc6)N5[C@@H]4O[C@]3(C)CC[C@H]12 ZINC000086035189 JK Annotated Anodyne CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)OC1=O ZINC000086037563 JK Annotated Anodyne Cc1coc(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@](C)(C(=O)O)[C@@H]2CC4)c1 ZINC000086041406 JK Annotated Anodyne O=C1C(O)=C(C2=C(O)C(=O)c3nc4ccccc4c4nccc2c34)c2ccnc3c2c1nc1ccccc13 ZINC000086041602 JK Annotated Mild C[C@H](O)C[C@H](O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO ZINC000086050755 JK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000086050835 JK Annotated Mild in-vitro C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000086050873 JK Annotated Mild C=C(CC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000086050881 JK Annotated Mild C[C@H]([C@@H]1C[C@H](C(C)(C)C)C(=O)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000086051969 JK Annotated Anodyne CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000087528616 JK Annotated Anodyne in-vitro CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000087528618 JK Annotated Anodyne in-vitro CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000087528621 JK Annotated Anodyne in-vitro CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O ZINC000087528623 JK Annotated Anodyne in-vitro CC1=CCC([C@H](C)CC[C@@H]2[C@@]3(C)CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@@H]3CC[C@@]2(C)O)=CC1 ZINC000087529869 JK Annotated Anodyne in-vitro O=Cc1ccc(-c2ccc(C3=C4Cc5cc(CNC6CCC(O)CC6)ccc5[C@@H]4N=N3)s2)s1 ZINC000087612923 JK Annotated Anodyne O=Cc1ccc(-c2ccc(C3=C4Cc5cc(CNC6CCC(O)CC6)ccc5[C@H]4N=N3)s2)s1 ZINC000087612924 JK Annotated Anodyne [N-]=[N+]=Nc1ccc(C(=O)NCc2c(Cl)c(Cl)cc3c2Oc2cc(Cl)c(Cl)cc2O3)cc1 ZINC000087613187 JK Annotated Mild Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)/C(=C/c3ccc(O)cc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000087722363 JK Annotated Mild Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)/C(=C/c3ccc(O)cc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000087722364 JK Annotated Mild CCN(c1nc(C)cc(N2CCC=C(c3cccc(F)c3)C2)n1)c1ccc(CC(C)C)cc1SC ZINC000087722810 JK Annotated Anodyne O=C1CC[C@H](CC/C(=C\C[C@@H](C(=O)O)N2CCOCC2)OCc2ccc(-c3ccccc3)cc2)C1 ZINC000087722938 JK Annotated Anodyne in-vitro O=C1CC[C@H](CC/C(=C\C[C@H](C(=O)O)N2CCOCC2)OCc2ccc(-c3ccccc3)cc2)C1 ZINC000087722942 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(C(C)C)cc1)N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000087723547 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(C(C)C)cc1)N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000087723549 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(C)cc1)N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000087723551 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(C)cc1)N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000087723553 JK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(C)cc1)N(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000087723556 JK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(C)cc1)N(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000087723558 JK Annotated Anodyne CCCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000088260716 JK Annotated Anodyne CCCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000088260717 JK Annotated Anodyne CCCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000088260718 JK Annotated Anodyne CCCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000088260719 JK Annotated Anodyne CC(C)C1=C(C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088343557 JK Annotated Anodyne CNC(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000088344282 JK Annotated Anodyne CC(C)C1=C(C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088344319 JK Annotated Anodyne CN(C(=O)OC(C)(C)C)C1=C(/C=[N+]2\CCc3ccccc32)CC/C1=C\N1CCc2ccccc21 ZINC000089210075 JK Annotated Clean CN(C(=O)OC(C)(C)C)C1=C(/C=[N+]2\CCc3ccccc32)C=C/C1=C\N1CCc2ccccc21 ZINC000089210083 JK Annotated Clean O=C(CNC1=C(/C=[N+]2\CCc3ccccc32)CC/C1=C\N1CCc2ccccc21)c1ccccc1 ZINC000089210090 JK Annotated Clean O=C(/C=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)/C=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1 ZINC000089455017 JK Annotated Mild FC(F)(F)c1ccc(CNc2nc(NCc3ccc(C(F)(F)F)cc3)c3nc[nH]c3n2)cc1 ZINC000089455084 JK Annotated Anodyne COC1=CC2=N/C1=C\c1ccc([nH]1)CCCC/C=C/CCCCCCCCCCc1ccc2o1 ZINC000089455520 JK Annotated Anodyne Brc1cccc(-n2cnc(-c3ccccc3-c3cc(-c4ccccc4)nc4c3CNO4)n2)c1 ZINC000089455721 JK Annotated Anodyne Oc1ccc2c(c1O)Cc1cccc3c1[C@H]2CN[C@H]3C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000089464685 JK Annotated Mild Oc1ccc2c(c1O)Cc1cccc3c1[C@H]2CN[C@@H]3C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000089464688 JK Annotated Mild CO[C@@H]1CCCN1C(=O)c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2 ZINC000089465179 JK Annotated Anodyne COc1ccc(COc2cc3c(cc2OC)[C@H]2N=NC(c4ccc(Br)cc4)=C2C3)cc1 ZINC000089469115 JK Annotated Anodyne COc1ccc(COc2cc3c(cc2OC)[C@@H]2N=NC(c4ccc(Br)cc4)=C2C3)cc1 ZINC000089469117 JK Annotated Anodyne CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc5cc(C(=O)O)ccc5c4)N=N[C@H]23)CC1 ZINC000089469158 JK Annotated Anodyne CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc5cc(C(=O)O)ccc5c4)N=N[C@@H]23)CC1 ZINC000089469159 JK Annotated Anodyne Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 ZINC000009035717 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 ZINC000009035719 JK Annotated Reactive Cc1ccc2c(c1Cl)N[C@@H](C(=O)O)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 ZINC000009035720 JK Annotated Reactive COc1cc(OC)c2c(c1)[C@@H](CCCCCCCCC[C@@H](CCC(C)=O)OC(C)=O)OC2=O ZINC000009083640 JK Annotated Anodyne COc1cc(OC)c2c(c1)[C@@H](CCCCCCCCC[C@H](CCC(C)=O)OC(C)=O)OC2=O ZINC000009083643 JK Annotated Anodyne O=C1O[C@H]2c3ccccc3C(=O)[C@]23O[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]13 ZINC000009132779 JK Annotated Anodyne COC(=O)CCCCC/C(=N\Nc1nc2ccccc2c2ccccc12)C1=C(O)CC(C)(C)CC1=O ZINC000009144995 JK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000009212444 JK Annotated Anodyne Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2cccnc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009228350 JK Annotated Anodyne CCOc1cc(CNC2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)cc(OCC)c1OCC ZINC000009286755 JK Annotated Anodyne CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000009293981 JK Annotated Mild CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 ZINC000009413353 JK Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 ZINC000009413356 JK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000009415367 JK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3F)nc(O)c2[C@H]1c1ccc(Cl)cc1 ZINC000009415539 JK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3F)nc(O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000009415545 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433351 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433352 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433353 JK Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433354 JK Annotated Anodyne COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1OC ZINC000009433375 JK Annotated Anodyne COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1OC ZINC000009433376 JK Annotated Anodyne COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1OC ZINC000009433377 JK Annotated Anodyne COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1OC ZINC000009433378 JK Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000009433588 JK Annotated Anodyne CSc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000009433589 JK Annotated Anodyne CSc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000009433590 JK Annotated Anodyne CSc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000009433591 JK Annotated Anodyne CCOC(=O)C1CCC(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000009490697 JK Annotated Anodyne O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@H]1N1CCCCC1 ZINC000090694020 JK Annotated Anodyne O=C(O)CC/C=C/CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@H]1N1CCCCC1 ZINC000090694021 JK Annotated Anodyne CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000009514493 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 ZINC000009559394 JK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 ZINC000009559395 JK Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009559694 JK Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559695 JK Annotated Anodyne CN1C(=O)c2ccccc2[C@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009559696 JK Annotated Anodyne CN1C(=O)c2ccccc2[C@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559697 JK Annotated Anodyne CCOc1ccccc1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559706 JK Annotated Mild CCOc1ccccc1C/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559707 JK Annotated Mild CCOc1ccccc1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000009559708 JK Annotated Mild CCOc1ccccc1C/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000009559709 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2cnc3ccccc3c2)[C@H]1c1c[nH]c2ccccc12 ZINC000009560618 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2cnc3ccccc3c2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009560619 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/c2cnc3ccccc3c2)[C@H]1c1c[nH]c2ccccc12 ZINC000009560620 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/c2cnc3ccccc3c2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009560621 JK Annotated Mild CCc1ccc(C/N=C(\O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000009561130 JK Annotated Mild CCc1ccc(C/N=C(\O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000009561131 JK Annotated Mild CCc1ccc(C/N=C(\O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000009561132 JK Annotated Mild CCc1ccc(C/N=C(\O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000009561133 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2ccc(Cl)cn2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561158 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/c2ccc(Cl)cn2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561159 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/c2ccc(Cl)cn2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561160 JK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/c2ccc(Cl)cn2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561161 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000009600812 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000009600813 JK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000009600814 JK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000009600815 JK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000009601350 JK Annotated Mild CCOc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1OCC ZINC000009601364 JK Annotated Mild CCCOc1c(Br)cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000009601372 JK Annotated Mild C=CCOc1c(Br)cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000009601376 JK Annotated Mild C#CCOc1c(Br)cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000009601379 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/Cc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009602329 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/Cc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009602333 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/Cc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009602336 JK Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/Cc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009602340 JK Annotated Mild CCOc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5cccc(F)c5)c43)c(C)o2)cc1 ZINC000009724772 JK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4C)c3n2)cc1OC ZINC000009775281 JK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776244 JK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776245 JK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776246 JK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCCCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776247 JK Annotated Anodyne c1cncc(-c2nc3c4ccccc4nc(NCCCN(Cc4ccco4)C4CCCC4)n3n2)c1 ZINC000009831153 JK Annotated Anodyne CCOc1ccccc1/N=C(\O)[C@H](CC)N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 ZINC000009834010 JK Annotated Anodyne CCOc1ccccc1/N=C(\O)[C@@H](CC)N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 ZINC000009834012 JK Annotated Anodyne CCOc1ccccc1/N=C(\O)[C@H](CC)N1C(=O)[C@H](C)N=C(c2ccccc2)c2ccccc21 ZINC000009834015 JK Annotated Anodyne CCOc1ccccc1/N=C(\O)[C@@H](CC)N1C(=O)[C@H](C)N=C(c2ccccc2)c2ccccc21 ZINC000009834019 JK Annotated Anodyne Cc1nc2nc(SCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)nn2c(C)c1Cc1ccccc1Cl ZINC000009841159 JK Annotated Anodyne Cc1nc2nc(SCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)nn2c(C)c1Cc1ccccc1Cl ZINC000009841164 JK Annotated Anodyne Cc1ccccc1NC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000009847883 JK Annotated Anodyne C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 ZINC000095060654 JK Annotated Anodyne C[C@H]1CC[C@]2(C(=O)O)CC[C@@H]3[C@](O)(C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2[C@H]1C ZINC000095098951 JK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4[C@@H](CC[C@H](O)C4(C)C)C3=CC[C@]12C ZINC000095098952 JK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4[C@@H](CC[C@H](O)C4(C)C)C3=CC[C@]12C)C(C)C ZINC000095099090 JK Annotated Mild in-vitro biogenic CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000095099259 JK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O)C[C@]12C ZINC000095099294 JK Annotated Anodyne C=C(CC[C@H](C(=O)O)[C@@H]1C[C@H](O)[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3)C(C)C ZINC000095099298 JK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000095099334 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)C/C=C/C(C)(C)O)[C@@]1(C)CC3 ZINC000095099486 JK Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000095100879 JK Annotated Anodyne CC1(C)CCC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000095100880 JK Annotated Anodyne C=C1CC[C@]2(C(=O)OC)C[C@@H]3C[C@@]34C3=CC=C5C(C)=C(O)C(=O)C(C)=C5[C@]35C[C@@H]5C[C@@]43C[C@@]23C1 ZINC000095485907 JK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1CC[C@]23C[C@]24C(=O)C[C@@H]2[C@H]5[C@H](C)[C@H](C)CC[C@@]5(C)CC[C@@]2(C)[C@]4(C)CC[C@@H]3C1(C)C ZINC000095485936 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CC[C@]23C[C@]24CC[C@@H]2[C@H]5[C@H](C)[C@H](C)CC[C@@]5(C)CC[C@@]2(C)[C@]4(C)CC[C@@H]3C1(C)C ZINC000095485937 JK Annotated Anodyne in-vitro biogenic COC1=Cc2c(occ(-c3ccc4c(c3)OCO4)c2=O)C(CCC=C(C)C)(CCC=C(C)C)C1=O ZINC000095485978 JK Annotated Mild in-vitro biogenic C/C=C(\C)CCc1c(O)c(CCC=C(C)C)c(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12 ZINC000095485988 JK Annotated Anodyne in-vitro biogenic CC(C)=CCCc1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000095485991 JK Annotated Clean in-vitro biogenic CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@@]21C ZINC000095486001 JK Annotated Mild in-vitro biogenic COc1cc(OC)c2c(OC)cc(C)c(-c3c(OC)cc(OC)c4c3C[C@H](C)N(C)C4(C)C)c2c1 ZINC000095486018 JK Annotated Anodyne in-vitro biogenic CC1(C)CC(=O)[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000095486072 JK Annotated Anodyne in-vitro biogenic CC1(C)C[C@H](O)[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000095486074 JK Annotated Anodyne in-vitro biogenic C=CC(C)(C)c1c[nH]c2cccc(/C=C/[C@]3(C)CCC=C[C@H]3c3ccc4c(c3)[C@H](C(C)(C)C=C)CN4)c12 ZINC000095486084 JK Annotated Mild in-vitro biogenic COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@H]5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]3(C)[C@H]2C1 ZINC000095486134 JK Annotated Mild in-vitro biogenic C=CC(C)(C)c1c(O)c(O)cc2ccc3c(c12)N(C)[C@@H](CC(C)=O)c1c-3ccc(OC)c1OC ZINC000095486158 JK Annotated Mild in-vitro biogenic C[C@H]1C(=O)[C@H](O)C[C@@]2(C)[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@@H]5[C@@H](CO)C[C@]4(C)[C@@]3(C)CC[C@]12C ZINC000095486170 JK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(O)=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000095486173 JK Annotated Mild in-vitro biogenic CC1(C)C=C(CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)CC(C)(C)N1[O] ZINC000095536919 JK Annotated Mild CC(C)[S@@+](C)CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000095539721 JK Annotated Anodyne Cc1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(C)cc4)cc3)cc2)cc1 ZINC000095547529 JK Annotated Reactive Cc1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(C)cc4)cc3)cc2)cc1 ZINC000095547530 JK Annotated Reactive Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccc(C#N)cc3)[nH]c3ccc(Cl)cc23)c1 ZINC000095552136 JK Annotated Mild Cc1cc(-c2ccc3c(c2)N(c2c(C)c(-c4ccccn4)nc4cc(F)ccc24)CC3(C)C)nc(N)n1 ZINC000095552362 JK Annotated Anodyne O=C(N/N=C\C=C\c1ccccc1)c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000095552449 JK Annotated Reactive O=C(N/N=C\Cc1ccccc1)c1cc(/C=N/Nc2cccc(Br)c2)nc2ccccc12 ZINC000095552465 JK Annotated Reactive Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ccnc(N)n3)cc21 ZINC000095552717 JK Annotated Anodyne O=C(NC1CCCC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1 ZINC000095552836 JK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC[C@@H](c2ccncc2)C1 ZINC000095552946 JK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC[C@H](c2ccncc2)C1 ZINC000095552947 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@@H]3C(=O)Nc4ccc(Br)cc43)n2)cc1 ZINC000095552958 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](C(=O)OC(C)(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095552979 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](C(=O)OC(C)(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095552980 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12[C@@H](C(=O)OC(C)(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095552981 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](C(=O)OC(C)(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095552982 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000095553409 JK Annotated Anodyne O=C(N/N=C/CCc1ccccc1)c1cc(/C=N/Nc2cccc(Cl)c2)nc2ccccc12 ZINC000095553731 JK Annotated Reactive COc1ccc2c(=O)c(C(=O)OCCCN(C)C)c(-c3cccc(Oc4ccccc4)c3)[nH]c2c1 ZINC000095553759 JK Annotated Anodyne CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(OC(F)(F)F)ccc2c1=O ZINC000095553798 JK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1 ZINC000095554047 JK Annotated Anodyne CCN(CC)C(=O)[C@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C ZINC000095554133 JK Annotated Anodyne CCN(CC)C(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C ZINC000095554134 JK Annotated Anodyne CCN(CC)C(=O)[C@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C ZINC000095554135 JK Annotated Anodyne CCN(CC)C(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C ZINC000095554136 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@@H]3C(=O)Nc4ccc(Br)cc43)n2)cc1 ZINC000095554160 JK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCc1cccc2ccccc12 ZINC000095554215 JK Annotated Anodyne Cc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)[C@H]2N(CC1)C(=O)c1ccccc1N2C ZINC000095554253 JK Annotated Clean Cc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)[C@@H]2N(CC1)C(=O)c1ccccc1N2C ZINC000095554254 JK Annotated Clean CCCCCC/N=C(\N)Nc1ccc2cc3ccc(/N=C(\N)NCCCCCC)cc3nc2c1 ZINC000095554463 JK Annotated Mild COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@@H]3C(=O)Nc4ccc(Cl)cc43)n2)cc1 ZINC000095554471 JK Annotated Anodyne CC(C)C#C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000095554472 JK Annotated Mild CC(C)/C=C\[C@@H](c1ccc(Cl)cc1)N1CC[C@H](CC(=O)O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095554780 JK Annotated Anodyne O=C(O)CN1C(=O)[C@@H](n2nc(-c3ccc4ccccc4c3)cc2-c2ccc(Cl)cc2)c2ccccc21 ZINC000095554786 JK Annotated Anodyne CCOC(=O)c1c(-c2cccc(Cc3nc(C)c(C)s3)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095554836 JK Annotated Anodyne CCOC(=O)c1c(-c2cccc(-c3nc(C)c(C)s3)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095554846 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3ccncc3)cc21 ZINC000095554886 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3ccnc(N)n3)cc21 ZINC000095555141 JK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000095555277 JK Annotated Anodyne O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000095555391 JK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccc(F)cc1)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1 ZINC000095555430 JK Annotated Anodyne CCOc1ccc(/C=C2\C(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N=C2C)cc1OC ZINC000095555514 JK Annotated Clean CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1)(c1ccccc1)[C@]2(C)C(=O)OC(C)(C)C ZINC000095555584 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)(c1ccccc1)[C@]2(C)C(=O)OC(C)(C)C ZINC000095555585 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1)(c1ccccc1)[C@@]2(C)C(=O)OC(C)(C)C ZINC000095555586 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)(c1ccccc1)[C@@]2(C)C(=O)OC(C)(C)C ZINC000095555587 JK Annotated Anodyne COC(=O)C[C@@H]1CCN([C@H](C#CC(C)C)c2ccc(Cl)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095555602 JK Annotated Mild Cc1c2c(cc[n+]1CCc1ccccc1)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1 ZINC000095555689 JK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c([C@H](C)CC)c2)cc1[C@@H](C)CC ZINC000095555690 JK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c([C@@H](C)CC)c2)cc1[C@@H](C)CC ZINC000095555691 JK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c([C@H](C)CC)c2)cc1[C@H](C)CC ZINC000095555692 JK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c([C@@H](C)CC)c2)cc1[C@H](C)CC ZINC000095555693 JK Annotated Anodyne Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1 ZINC000095555698 JK Annotated Anodyne O=C(N/N=C\C=C\c1ccccc1)c1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000095555728 JK Annotated Reactive N#Cc1ccc([C@@](Cc2ccccc2)(NC(=O)NC2CCCC2)c2cc(F)cc(C(F)(F)F)c2)nc1 ZINC000095555765 JK Annotated Mild O=C(N/N=C\Cc1ccccc1)c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000095555777 JK Annotated Reactive CCOc1nc2cccc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1 ZINC000095555831 JK Annotated Anodyne CC(C)C#C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](CC(=O)O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095555942 JK Annotated Mild CCCc1cc(C(O)(CC)CC)ccc1-c1cc(CCc2ccc(CO)c(CO)c2)ccc1C ZINC000095555945 JK Annotated Anodyne CO[C@@H]1Cc2c(csc2-c2ccc(C(F)(F)F)cc2)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095555981 JK Annotated Anodyne CO[C@H]1Cc2c(csc2-c2ccc(C(F)(F)F)cc2)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095555982 JK Annotated Anodyne O=C(N/N=C\CCc1ccccc1)c1cc(/C=N/Nc2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000095556042 JK Annotated Reactive COc1cc(Cn2c(-c3ccc(Cl)c(Cl)c3)nc3cc(C)ccc32)cc(OC)c1OC ZINC000095556117 JK Annotated Anodyne COc1ccc(-c2cc(-c3ccc4ccccc4c3)nn2[C@@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000095556233 JK Annotated Anodyne CC(C)/C=C\[C@H](c1ccc(Cl)cc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000095556300 JK Annotated Anodyne COc1cc(Cn2c(-c3cccc(Cl)c3Cl)nc3cc(C)ccc32)cc(OC)c1OC ZINC000095556374 JK Annotated Anodyne O=C(N/N=C\C=C\c1ccccc1)c1cc(/C=N/Nc2cccc(Cl)c2)nc2ccccc12 ZINC000095556482 JK Annotated Reactive Clc1ccc(-c2nc3sc4ccccc4n3c2CN2CCN(c3ccccn3)CC2)cc1 ZINC000095556524 JK Annotated Anodyne Cc1c(-c2ccccc2F)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000095556535 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1)(c1ccccc1)[C@]2(C)C(=O)OC(C)C ZINC000095556624 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)(c1ccccc1)[C@]2(C)C(=O)OC(C)C ZINC000095556625 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1)(c1ccccc1)[C@@]2(C)C(=O)OC(C)C ZINC000095556626 JK Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)(c1ccccc1)[C@@]2(C)C(=O)OC(C)C ZINC000095556627 JK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@H]1n1nc(-c2ccccc2)cc1-c1ccc(Cl)cc1 ZINC000095556689 JK Annotated Anodyne C=CC[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095556842 JK Annotated Mild O=C(O)c1cccc(N/N=C/c2cc(C(=O)NCCCCc3ccccc3)c3ccccc3n2)c1 ZINC000095556860 JK Annotated Mild O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2ccccc2)CC1 ZINC000095556923 JK Annotated Anodyne CO[C@@H]1Cc2c(csc2-c2cccc3ccccc23)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095556984 JK Annotated Anodyne CO[C@H]1Cc2c(csc2-c2cccc3ccccc23)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095556985 JK Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccc(Cl)cc34)[C@@H]21 ZINC000095556996 JK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccc(Cl)cc34)[C@H]21 ZINC000095556997 JK Annotated Clean COC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c2)cc1 ZINC000095557071 JK Annotated Mild O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC[C@@H](c2cccs2)C1 ZINC000095557230 JK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC[C@H](c2cccs2)C1 ZINC000095557231 JK Annotated Anodyne O=C(Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12)C(F)(F)C(F)(F)F ZINC000095557253 JK Annotated Anodyne CCOC(=O)c1c(-c2cccc(-c3ccccc3Cl)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095557275 JK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1F)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1 ZINC000095557520 JK Annotated Anodyne O=C(NCCCc1ccccc1)c1cc(/C=N/Nc2cccc(Br)c2)nc2ccccc12 ZINC000095557555 JK Annotated Mild CCOC(=O)c1c(-c2cccc(Oc3c(C)cccc3C)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095557570 JK Annotated Anodyne CCOC(=O)[C@@H](C)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557573 JK Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557574 JK Annotated Anodyne CCOC(=O)[C@@H](C)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557575 JK Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557576 JK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C[C@@]2(C)CC[C@@H]3[C@@H]2[C@H]2[C@@H](CC[C@@]3(C)O)C2(C)C)c1O ZINC000095557650 JK Annotated Anodyne COc1c(F)ccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1 ZINC000095557786 JK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095557863 JK Annotated Anodyne COc1ccc([C@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095557864 JK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(OC)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095557865 JK Annotated Anodyne Cc1ccoc1CNC(=O)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000095557900 JK Annotated Anodyne Cc1cc(CN(Cc2ccco2)Cc2nc(-c3ccccc3)oc2C)cc(C)c1OC(C)(C)C(=O)O ZINC000095558181 JK Annotated Anodyne Cc1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc23)c(Br)c1 ZINC000095558468 JK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3CC2CC2)n1 ZINC000095558496 JK Annotated Anodyne CC(C)(O)C1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 ZINC000095558585 JK Annotated Anodyne Cc1ccc(CNC(=O)c2ccc3[nH]c(COc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc3c2)o1 ZINC000095558681 JK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3c(Cl)c3ccccc23)nc2ccccn12 ZINC000095558747 JK Annotated Bother CCCCCCCCCC[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095558790 JK Annotated Mild Cc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095558947 JK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095558948 JK Annotated Anodyne Cc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095558949 JK Annotated Anodyne CC(C)c1cc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(OC(=O)c2ccccc2)c(C(C)C)c1 ZINC000095559085 JK Annotated Bother Cc1nc(Cc2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000095559677 JK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000095559678 JK Annotated Anodyne COc1ccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3ccc(OC)c(F)c3)c2)cc1F ZINC000095559781 JK Annotated Reactive CC(=O)c1ccc(NC(=O)CSc2nccnc2-c2ccccc2Cl)c(Br)c1 ZINC000095559905 JK Annotated Anodyne C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)OO ZINC000095560123 JK Annotated Mild C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)OO ZINC000095560124 JK Annotated Mild CCCC[C@H](Sc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 ZINC000095560206 JK Annotated Anodyne CCCC[C@@H](Sc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 ZINC000095560207 JK Annotated Anodyne COc1cc(F)cc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cc(F)cc(OC)c3)c2)c1 ZINC000095560744 JK Annotated Reactive C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560795 JK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560796 JK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560797 JK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560798 JK Annotated Anodyne O=C(O)Cc1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(F)cc2)c1 ZINC000095560868 JK Annotated Anodyne O=C(O)Cc1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(F)cc2)c1 ZINC000095560869 JK Annotated Anodyne O=C(Nc1sc2c(c1C(=O)N1CCC(F)(F)CC1)CCOC2)c1c(F)cccc1C(F)(F)F ZINC000095561033 JK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2cnc(C(C)(C)C)nc2)CC1 ZINC000095561234 JK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2cnc(C(C)(C)C)nc2)CC1 ZINC000095561235 JK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cc2)c2ccc([C@H](C)C(=O)O)cc2-c2cnc(C(C)(C)C)nc2)CC1 ZINC000095561236 JK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@H](C)C(=O)O)cc2-c2cnc(C(C)(C)C)nc2)CC1 ZINC000095561237 JK Annotated Anodyne O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Br ZINC000095561309 JK Annotated Anodyne CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095561374 JK Annotated Mild CC(=O)c1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc23)c(Br)c1 ZINC000095561380 JK Annotated Anodyne O=C(CSc1nncnc1-c1ccccc1Cl)c1ccc(Br)cc1Br ZINC000095561708 JK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095561748 JK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095561750 JK Annotated Anodyne Cc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095561823 JK Annotated Anodyne Cc1ccc2c(c1)S[C@H](c1ccc(Cl)cc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095561825 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000095561878 JK Annotated Anodyne C[C@@H]1CCCN(c2cc(Cc3ccc(C(=O)O)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1 ZINC000095562136 JK Annotated Clean C[C@H]1CCCN(c2cc(Cc3ccc(C(=O)O)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1 ZINC000095562137 JK Annotated Clean O=C1C=C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000095562317 JK Annotated Reactive O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccccc1Br ZINC000095562336 JK Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3s2)cc(C(=O)NCCc2ccccn2)n1 ZINC000095562494 JK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095562594 JK Annotated Anodyne O=C(NCc1ccco1)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000095562602 JK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000095562660 JK Annotated Anodyne COC(=O)c1cccc(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000095562757 JK Annotated Clean C[C@]12CC[C@H]([N+](C)(C)c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O ZINC000095562857 JK Annotated Bother COc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095562899 JK Annotated Anodyne COc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095562900 JK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095562901 JK Annotated Anodyne Clc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095562909 JK Annotated Anodyne Clc1ccc([C@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000095562910 JK Annotated Anodyne Clc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095562911 JK Annotated Anodyne Clc1ccc([C@@H]2Sc3cc(Cl)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000095562912 JK Annotated Anodyne C/C=C/C(=O)OC[C@H](OC(=O)CCCCCCCCCCC)c1cc(OC)c(OC)c(OC)c1 ZINC000095562956 JK Annotated Mild C/C=C/C(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)c1cc(OC)c(OC)c(OC)c1 ZINC000095562957 JK Annotated Mild CCCCCCCCCCCC[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095563182 JK Annotated Mild CC(C)=CCC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1(C)CC3 ZINC000095563339 JK Annotated Anodyne COC(=O)c1ccc(-c2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000095563364 JK Annotated Clean COC(=O)c1ccc(-c2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000095563365 JK Annotated Clean C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000095563804 JK Annotated Anodyne COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2ccc(N(C)C)cc2)c1OC ZINC000095563884 JK Annotated Bother C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H]4[C@](C)(CCC(=O)[C@@]4(C)CO)C3=CC[C@]12C)C(C)C ZINC000095564151 JK Annotated Mild CC1=C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095564193 JK Annotated Reactive O=C(N/N=C1/SCC(=O)N1c1ccccc1)c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1 ZINC000095564480 JK Annotated Reactive CC1(C)[C@@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)[C@H]1C2 ZINC000095564559 JK Annotated Bother CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095564589 JK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)[C@@H]1C2 ZINC000095564653 JK Annotated Bother CC(C)(C)NC(=O)[C@@H](c1ccncc1)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000095564719 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000095564720 JK Annotated Anodyne COc1cc2cc3c4cc(-c5ccc(C(C)(C)C)cc5)c(OC)c(OC)c4cc[n+]3cc2cc1OC ZINC000095564762 JK Annotated Bother COc1cc2cc3c4cc(-c5cccc6ccccc56)c(OC)c(OC)c4cc[n+]3cc2cc1OC ZINC000095564806 JK Annotated Bother CC1(C)[C@@H]2C=C(C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)C[C@H]1C2 ZINC000095564832 JK Annotated Bother CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCF)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095564923 JK Annotated Bother CC(C)(C)NC(=O)[C@@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095565742 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095565743 JK Annotated Anodyne CCCCc1ccc(NC(=O)OCCN2CCCC[C@@H]2CC(C2CCCCC2)C2CCCCC2)cc1 ZINC000095565930 JK Annotated Anodyne CCCCc1ccc(NC(=O)OCCN2CCCC[C@H]2CC(C2CCCCC2)C2CCCCC2)cc1 ZINC000095565931 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](CC(C)=O)N(c1ccc(-c3cnc(OC)nc3)cc1)C(c1ccsc1)=C2 ZINC000095566275 JK Annotated Anodyne COc1ccc2c(c1)[C@H](CC(C)=O)N(c1ccc(-c3cnc(OC)nc3)cc1)C(c1ccsc1)=C2 ZINC000095566276 JK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(c2cccc(SC)c2)[C@@H]1c1ccccc1 ZINC000095566337 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095566340 JK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095566371 JK Annotated Mild CC(C)(C)[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cccc(S(C)(=O)=O)c2)nc2ccccc21 ZINC000095566520 JK Annotated Anodyne CC(C)(C)[C@H](c1nc2ccccc2[nH]1)n1c(-c2cccc(S(C)(=O)=O)c2)nc2ccccc21 ZINC000095566521 JK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095566529 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](CC(C)=O)N(c1ccc(-c3cccs3)cc1)C(c1ccsc1)=C2 ZINC000095566563 JK Annotated Anodyne COc1ccc2c(c1)[C@H](CC(C)=O)N(c1ccc(-c3cccs3)cc1)C(c1ccsc1)=C2 ZINC000095566564 JK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](Cc3ccccc3)CO[C@H]2CC(=O)c2cccc3ccccc23)cc1 ZINC000095566600 JK Annotated Anodyne Cc1ccc(Cc2c(-c3cccc(Br)c3)nc3cc(C)c(Br)c(C)n23)cc1 ZINC000095566612 JK Annotated Anodyne FC(F)(F)c1cc(N2CCN(C(=S)Nc3cc(Cl)ccn3)CC2)cc(C(F)(F)F)c1 ZINC000095566673 JK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095566782 JK Annotated Anodyne Cc1cc(Br)cn2c(Cc3ccccc3)c(-c3cccc(Br)c3)nc12 ZINC000095566798 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095566928 JK Annotated Mild CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095566938 JK Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095566939 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095566979 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095566980 JK Annotated Anodyne Cc1ccc(Cc2c(-c3cccc(Br)c3)nc3c(C)cc(Br)cn23)cc1 ZINC000095566984 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095567009 JK Annotated Mild COc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095567016 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H](CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095567024 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095567025 JK Annotated Anodyne COc1ccc(C2=Cc3ccccc3[C@H](CC(=O)C3CC3)N2c2ccc(C#CCCO)cc2)cc1 ZINC000095567037 JK Annotated Mild COc1ccc(C2=Cc3ccccc3[C@@H](CC(=O)C3CC3)N2c2ccc(C#CCCO)cc2)cc1 ZINC000095567038 JK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095567064 JK Annotated Mild COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)N(Cc2ccccc2OC)[C@@H]1c1ccccc1 ZINC000095567067 JK Annotated Anodyne O=c1c(-c2cccs2)nc2ccccc2n1[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567098 JK Annotated Anodyne O=c1c(-c2cccs2)nc2ccccc2n1[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567099 JK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095567100 JK Annotated Anodyne O=c1c(-c2cccnc2)nc2ccccc2n1[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567107 JK Annotated Anodyne O=c1c(-c2cccnc2)nc2ccccc2n1[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567108 JK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095567136 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095567215 JK Annotated Mild CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095567235 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095567269 JK Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095567337 JK Annotated Anodyne CCCCCNC(=O)[C@@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095567360 JK Annotated Anodyne CCCCCNC(=O)[C@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095567361 JK Annotated Anodyne Cc1nnsc1-c1nc2ccccc2n1[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567391 JK Annotated Anodyne Cc1nnsc1-c1nc2ccccc2n1[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567392 JK Annotated Anodyne COc1ccc(N2C(c3ccsc3)=Cc3cc4c(cc3[C@H]2c2c[nH]c3ccccc23)OCO4)cc1 ZINC000095567395 JK Annotated Anodyne COc1ccc(N2C(c3ccsc3)=Cc3cc4c(cc3[C@@H]2c2c[nH]c3ccccc23)OCO4)cc1 ZINC000095567396 JK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@@H](CC(C)=O)N2c2ccc(C#CCCO)cc2)c1 ZINC000095567416 JK Annotated Mild COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@H](CC(C)=O)N2c2ccc(C#CCCO)cc2)c1 ZINC000095567417 JK Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567422 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567423 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccnc2)c1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000095567443 JK Annotated Anodyne CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567459 JK Annotated Anodyne CSCC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567460 JK Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095567472 JK Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095567473 JK Annotated Anodyne Nc1nc2c(Br)ccc(Br)c2cc1C(=O)NCc1cccc2ccccc12 ZINC000095567529 JK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095567563 JK Annotated Anodyne C=CCNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(-n2cc(-c3ccccc3)nn2)s1 ZINC000095567564 JK Annotated Mild CC(C)[C@@H](NC(=O)OC(C)(C)C)c1cc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(N)s1 ZINC000095567643 JK Annotated Anodyne O=c1c(-c2cc3ccccc3[nH]2)nc2ccccc2n1[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567659 JK Annotated Anodyne O=c1c(-c2cc3ccccc3[nH]2)nc2ccccc2n1[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095567660 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567708 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567709 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567728 JK Annotated Mild Cc1cccc(C)c1NC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567729 JK Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095567740 JK Annotated Anodyne CSCC[C@H](C(=O)Nc1c(C)cccc1C)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000095567785 JK Annotated Anodyne CSCC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000095567786 JK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2c(Cl)cc(C(F)(F)F)cn12 ZINC000095567862 JK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Cl)c3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095567865 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095567908 JK Annotated Mild CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095567920 JK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095567921 JK Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095567938 JK Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095567939 JK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(C)=O)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095567968 JK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(C)=O)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095567969 JK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095568031 JK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095568033 JK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000095568034 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095568046 JK Annotated Mild Cc1cccc(C)c1NC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095568047 JK Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2c(F)cccc2F)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000095568147 JK Annotated Anodyne CCOC(=O)[C@]12Cc3cc4ccccc4cc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(OC)ccc12 ZINC000095568248 JK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(F)cc3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095568274 JK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1 ZINC000095568293 JK Annotated Anodyne COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)N(Cc2ccccc2OC)[C@@H]1c1cccs1 ZINC000095568295 JK Annotated Anodyne COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(Cl)c2)cc1OC ZINC000095568303 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568352 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568353 JK Annotated Anodyne CCNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(-n2cc(-c3ccccc3)nn2)s1 ZINC000095568374 JK Annotated Anodyne Cc1ccc(Cc2c(-c3cccc(Br)c3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000095568375 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1cccc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568384 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1cccc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568385 JK Annotated Anodyne Cc1cc2nc(-c3cccc(Br)c3)c(CC3CCCCC3)n2c(C)c1Br ZINC000095568442 JK Annotated Anodyne Cc1cc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095568544 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095568597 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095568598 JK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(C)=O)N2c2ccc(C#CCCO)cc2)c1 ZINC000095568599 JK Annotated Mild COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(C)=O)N2c2ccc(C#CCCO)cc2)c1 ZINC000095568600 JK Annotated Mild O=C(Nc1ccc(F)cc1)[C@H](c1cc2ccccc2o1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095568609 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](c1cc2ccccc2o1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095568610 JK Annotated Anodyne Cc1cc2nc(C3CCCCC3)c(Cc3ccccc3C(F)(F)F)n2c(C)c1Br ZINC000095568635 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568681 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568682 JK Annotated Anodyne OCCC#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@H]2c2c[nH]c3ccccc23)cc1 ZINC000095568694 JK Annotated Mild OCCC#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@@H]2c2c[nH]c3ccccc23)cc1 ZINC000095568695 JK Annotated Mild COc1ccc(Cc2c(-c3ccc(OC)c(OC)c3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000095568758 JK Annotated Anodyne CC(=O)C[C@@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000095568759 JK Annotated Mild CC(=O)C[C@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000095568760 JK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095568775 JK Annotated Mild O=C(C[C@@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(C#CCCO)cc1)c1ccco1 ZINC000095568972 JK Annotated Mild O=C(C[C@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(C#CCCO)cc1)c1ccco1 ZINC000095568973 JK Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095569006 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095569007 JK Annotated Anodyne O=C(c1ccco1)N1CCN(c2cc(Cc3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000095569097 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569104 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569105 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2C(F)(F)F)c1C(=O)NCc1ccc(F)cc1 ZINC000095569154 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569184 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569185 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095569205 JK Annotated Mild O=C(C1CC1)N1CC[C@@H](Cn2c(-c3ccc(-c4ccc5occc5c4)cc3)nc3cnccc32)C1 ZINC000095569214 JK Annotated Anodyne Cc1ccc(N2CCN([C@H](C(=O)Nc3c(C)cccc3C)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000095569289 JK Annotated Anodyne Cc1ccc(N2CCN([C@@H](C(=O)Nc3c(C)cccc3C)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000095569290 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095569303 JK Annotated Mild Cc1cc(C)nc(NC(=S)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 ZINC000095569347 JK Annotated Anodyne O=C1Nc2ccccc2NC(c2ccc3c(c2)OCO3)=C1N(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000095569387 JK Annotated Anodyne FC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12 ZINC000095569427 JK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3OC)n2c1 ZINC000095569467 JK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N(CCC#N)Cc1ccccc1 ZINC000095569545 JK Annotated Mild Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N(CCC#N)Cc1ccccc1 ZINC000095569546 JK Annotated Mild CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095569609 JK Annotated Anodyne Cc1cc2nc(-c3cccc(Cl)c3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095569654 JK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(OC)c(OC)c3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095569657 JK Annotated Anodyne CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(/C=C/c2ccc(F)c(F)c2)nc2ccccc21 ZINC000095569715 JK Annotated Anodyne CSCC[C@H](c1nc2ccccc2[nH]1)n1c(/C=C/c2ccc(F)c(F)c2)nc2ccccc21 ZINC000095569716 JK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000095569738 JK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1 ZINC000095569739 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569754 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569755 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2CC2CCCCC2)cc1OC ZINC000095569833 JK Annotated Anodyne O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@@H]1c2ccccc2[C@@H]2Cc3csc[n+]3[C@@H]21 ZINC000095569847 JK Annotated Anodyne N#Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000095569916 JK Annotated Mild COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccccc2)cc1OC ZINC000095569921 JK Annotated Anodyne CCCCCNC(=O)[C@@H](c1cccc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569932 JK Annotated Anodyne CCCCCNC(=O)[C@H](c1cccc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569933 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095569982 JK Annotated Mild Cc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)cc1 ZINC000095570032 JK Annotated Anodyne CSCC[C@@H](C(=O)NCc1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 ZINC000095570060 JK Annotated Anodyne CSCC[C@H](C(=O)NCc1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 ZINC000095570061 JK Annotated Anodyne COc1ccc([C@H](C(=O)Nc2c(C)cccc2C)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095570075 JK Annotated Anodyne COc1ccc([C@@H](C(=O)Nc2c(C)cccc2C)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095570076 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1F)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095570132 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1F)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095570133 JK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095570216 JK Annotated Anodyne COc1cccc(C2=Cc3ccc(F)cc3[C@@H](CC(C)=O)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095570232 JK Annotated Anodyne COc1cccc(C2=Cc3ccc(F)cc3[C@H](CC(C)=O)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095570233 JK Annotated Anodyne Cc1cc2nc(-c3cccc(Br)c3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095570246 JK Annotated Anodyne COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4cnc(OC)nc4)ccc3n2C)c1 ZINC000095570247 JK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095570277 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095570349 JK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095570353 JK Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095570356 JK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccsc4)=Cc4ccccc4[C@H]3CC(C)=O)cc2)cn1 ZINC000095570404 JK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccsc4)=Cc4ccccc4[C@@H]3CC(C)=O)cc2)cn1 ZINC000095570405 JK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2cc(C)c(Br)c(C)n12 ZINC000095570425 JK Annotated Anodyne CCCCCNC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095570453 JK Annotated Anodyne CCCCCNC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095570454 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095570477 JK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095570524 JK Annotated Mild CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000095570541 JK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1CCC1=CCCCC1 ZINC000095570542 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccc(C)cc2)cc1OC ZINC000095570576 JK Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095570679 JK Annotated Anodyne COc1ccc([C@@H](C(=O)NC(C)(C)C)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095570680 JK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095570824 JK Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)c1 ZINC000095570825 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570833 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570834 JK Annotated Anodyne COC(=O)c1ccc(N2C(c3ccsc3)=Cc3cc4c(cc3[C@H]2CC(=O)c2ccco2)OCO4)cc1 ZINC000095570856 JK Annotated Anodyne COC(=O)c1ccc(N2C(c3ccsc3)=Cc3cc4c(cc3[C@@H]2CC(=O)c2ccco2)OCO4)cc1 ZINC000095570857 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095570863 JK Annotated Mild CSCC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000095570867 JK Annotated Anodyne CSCC[C@H](C(=O)Nc1c(C)cccc1C)n1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000095570868 JK Annotated Anodyne CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 ZINC000095570869 JK Annotated Anodyne CC(=O)C[C@@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(C#Cc2cncn2C)cc1 ZINC000095570876 JK Annotated Mild CC(=O)C[C@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(C#Cc2cncn2C)cc1 ZINC000095570877 JK Annotated Mild CC(C)(C)NC(=O)[C@@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095570880 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095570881 JK Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095570922 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](CC(C)=O)N(c1ccc(-c3cccnc3)cc1)C(c1ccsc1)=C2 ZINC000095570951 JK Annotated Anodyne COc1ccc2c(c1)[C@H](CC(C)=O)N(c1ccc(-c3cccnc3)cc1)C(c1ccsc1)=C2 ZINC000095570952 JK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C(=O)CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000095571002 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1OC(F)(F)F)N1CCC(c2ccccc2)CC1 ZINC000095571004 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1OC(F)(F)F)N1CCC(c2ccccc2)CC1 ZINC000095571005 JK Annotated Anodyne CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(OC)ccc12 ZINC000095571009 JK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2c(C)cc(Br)cn12 ZINC000095571060 JK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(c2ccc3c(ccn3C)c2)[C@@H]1c1ccccc1 ZINC000095571272 JK Annotated Anodyne N#Cc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000095571305 JK Annotated Mild C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12 ZINC000095571313 JK Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12 ZINC000095571314 JK Annotated Anodyne CCCCCNC(=O)[C@@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095571341 JK Annotated Anodyne CCCCCNC(=O)[C@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095571342 JK Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095571366 JK Annotated Anodyne COc1ccc([C@H](C(=O)Nc2c(C)cccc2C)n2c(=O)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000095571408 JK Annotated Anodyne COc1ccc([C@@H](C(=O)Nc2c(C)cccc2C)n2c(=O)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000095571409 JK Annotated Anodyne CC(=O)C[C@@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000095571438 JK Annotated Anodyne CC(=O)C[C@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000095571439 JK Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N2CCCCCC2)=C1C ZINC000095571507 JK Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N2CCCCCC2)=C1C ZINC000095571508 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCSCC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095571516 JK Annotated Mild FC(F)(F)c1ccccc1Cc1c(-c2cccc(Br)c2)nc2ccc(Cl)cn12 ZINC000095571546 JK Annotated Anodyne CN(C(=O)COc1ccc(-c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1)c1ccccn1 ZINC000095571713 JK Annotated Anodyne CN(C)c1ccc(/C=C/c2cc(-c3ccccc3F)c(/C=C/c3ccc(N(C)C)cc3)nn2)cc1 ZINC000095571738 JK Annotated Clean CCCc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)[nH]1 ZINC000095571811 JK Annotated Mild CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)cc4F)cc2CC3)O1 ZINC000095571859 JK Annotated Anodyne COCCN(Cc1cccc2ccccc12)C(=O)/C=C/c1ccc(-n2cnc(C)c2)c(OC)c1 ZINC000095571926 JK Annotated Anodyne O=C1CCCN1c1cc(-c2cc3ccccc3c3ccccc23)nc2ccc(Br)cc12 ZINC000095571930 JK Annotated Bother C=CCN1[C@H](c2ccc(Cl)cc2)C/C(=N\OCc2ccccc2)[C@@H](C)[C@@H]1c1ccc(Cl)cc1 ZINC000095572000 JK Annotated Mild CCCCc1cn(C[C@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095572023 JK Annotated Anodyne CCCCc1cn(C[C@@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095572024 JK Annotated Anodyne O=c1c2c(Nc3ccccc3)nn(-c3ccccc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000095572072 JK Annotated Anodyne Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095572224 JK Annotated Bother CCCCCCCCCCCCCCCC[C@@H]1CC[P@](=O)(OC)OC(C)=C1C(=O)OC ZINC000095572245 JK Annotated Mild Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1cc(F)c(Cl)nc1N2 ZINC000095572275 JK Annotated Anodyne CN(C(=O)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1)C1CCCCC1 ZINC000095572306 JK Annotated Anodyne CN(C(=O)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1)C1CCCCC1 ZINC000095572307 JK Annotated Anodyne O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2SC2CCCCC2)cc1 ZINC000095572334 JK Annotated Anodyne CC(C)/N=c1\cc2n(-c3ccc(OC(F)(F)F)cc3)c3ccccc3nc-2cc1Nc1cccnc1 ZINC000095572343 JK Annotated Bother CC1(C)OC[C@@H](CCOc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)cc4F)cc2CC3)O1 ZINC000095572366 JK Annotated Anodyne CC1(C)OC[C@@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)cc4F)cc2CC3)O1 ZINC000095572384 JK Annotated Anodyne C[C@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000095572458 JK Annotated Anodyne C[C@@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000095572459 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(Oc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095572509 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(Oc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095572510 JK Annotated Anodyne CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)cc3C(F)(F)F)cs2)c(C)c1 ZINC000095572522 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CC[C@H](C(F)(F)F)NC2)c1 ZINC000095572532 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@H](C(F)(F)F)NC2)c1 ZINC000095572534 JK Annotated Anodyne Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N\C2CCOCC2)cn1 ZINC000095572787 JK Annotated Bother CC(C)/N=c1\cc2n(-c3ccc(C(F)(F)F)cc3)c3ccccc3nc-2cc1Nc1cccnc1 ZINC000095572870 JK Annotated Bother CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cc(-c5ccccc5)nn4)cc3)cs2)c(C)c1 ZINC000095572973 JK Annotated Anodyne CC1(C)OC[C@H](COc2ccc3c(c2)CCc2cc(Nc4ccc(F)cc4F)ccc2C3=O)O1 ZINC000095573048 JK Annotated Anodyne COc1cc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)ccc1-c1ccnc(C)c1 ZINC000095573106 JK Annotated Anodyne COc1cc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)ccc1-c1ccnc(C)c1 ZINC000095573107 JK Annotated Anodyne CCN(CC)CCSc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(C#N)c[nH]c2n1 ZINC000095573115 JK Annotated Mild C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 ZINC000095573120 JK Annotated Anodyne CC(=O)Nc1ccc(CN(C(=O)c2sc3cc(F)ccc3c2Cl)C2CCNCC2)cc1 ZINC000095573142 JK Annotated Anodyne COC(=O)[C@H]1CN(CCSc2cccs2)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12 ZINC000095573144 JK Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CNc1ccccc1)c1cccc(F)c1 ZINC000095573236 JK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CNc1ccccc1)c1cccc(F)c1 ZINC000095573237 JK Annotated Anodyne Cc1ccccc1NC(=O)[C@H](c1ccccc1C)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095573324 JK Annotated Anodyne Cc1ccccc1NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095573325 JK Annotated Anodyne CC(C)/N=c1\cc2n(-c3ccc(Br)cc3)c3ccccc3nc-2cc1Nc1cccnc1 ZINC000095573394 JK Annotated Bother Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(C(F)(F)F)cc3)c-2c/c1=N\C(C)C ZINC000095573473 JK Annotated Bother O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCC(c2ccccc2)CC1 ZINC000095573566 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(Cl)c(F)c2)c1 ZINC000095573582 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(Cl)c(F)c2)c1 ZINC000095573583 JK Annotated Anodyne CC(C)(C#N)c1cccc(C(=O)Nc2ccc(F)c(C(=O)Nc3cnc4[nH]ccc4c3)c2F)c1 ZINC000095573632 JK Annotated Mild O=C(NC1CCN(CCSc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000095573777 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](c4cc(F)c(F)c(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095573891 JK Annotated Anodyne CC#Cc1cncc(-c2cccc([C@@]3(c4ccnc(C(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1 ZINC000095573932 JK Annotated Mild CC#Cc1cncc(-c2cccc([C@]3(c4ccnc(C(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1 ZINC000095573933 JK Annotated Mild Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095573944 JK Annotated Bother CCCCCCCCCCCCCCCC[C@@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC ZINC000095574004 JK Annotated Mild CCCN(c1c(OC)nn2c(-c3c(OC)cc(COCC)cc3OC)csc12)C1CCOCC1 ZINC000095574011 JK Annotated Anodyne O=C(C[C@H](c1cc(-c2ccccc2)cs1)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1 ZINC000095574014 JK Annotated Anodyne O=C(C[C@@H](c1cc(-c2ccccc2)cs1)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1 ZINC000095574015 JK Annotated Anodyne Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Br)cc4)c-3c/c2=N\C(C)C)cn1 ZINC000095574047 JK Annotated Bother CCCN(CCC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 ZINC000095574056 JK Annotated Clean O=C1CCCN1[C@H]1C[C@@H](c2cc3ccccc3c3ccccc23)Nc2ccc(Br)cc21 ZINC000095574073 JK Annotated Bother Cc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)[nH]1 ZINC000095574467 JK Annotated Mild COc1cc(Nc2cccn3c(C)c(-c4ccccc4C(F)(F)F)nc23)ccc1-n1cnc(C)c1 ZINC000095574506 JK Annotated Anodyne Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCOCC2)cn1 ZINC000095574521 JK Annotated Bother Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1ccc2ccccc21)c1cccc(F)c1 ZINC000095574536 JK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1ccc2ccccc21)c1cccc(F)c1 ZINC000095574537 JK Annotated Anodyne CN1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095574567 JK Annotated Bother COCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095574720 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@]1(C)CCc2cc(OCC(=O)O)c(F)cc2O1 ZINC000095574757 JK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCOC[C@]1(C)CCc2cc(OCC(=O)O)c(F)cc2O1 ZINC000095574759 JK Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)c(F)c(C#N)c3)cc1[C@@]21N=C(C)C(N)=N1 ZINC000095574795 JK Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)c(F)c(C#N)c3)cc1[C@]21N=C(C)C(N)=N1 ZINC000095574796 JK Annotated Mild COc1cc2cc3c4cc(-c5cccc6ccccc56)c(OC)c(OC)c4cc[n+]3c(C)c2cc1OC ZINC000095574987 JK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095575167 JK Annotated Bother COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CCOCC4)CC4CC4)c(C)nn23)c(OC)c1 ZINC000095575265 JK Annotated Anodyne CCC/C=C/c1cc(Cl)cc(CN/C(N)=N/C(=O)c2c(-c3ccc(OC)cc3)noc2C)c1 ZINC000095575289 JK Annotated Mild CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095575319 JK Annotated Anodyne COc1c(Br)cc(/C(CSc2ccccc2C(F)(F)F)=N/O)cc1C(C)(C)C ZINC000095575644 JK Annotated Mild COCc1cc(OC)c(-c2csc3c(N(CC4CCOCC4)CC4CC4)c(C)nn23)c(OC)c1 ZINC000095575656 JK Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095575734 JK Annotated Anodyne CCc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)[nH]1 ZINC000095575751 JK Annotated Mild Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1 ZINC000095575904 JK Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(-c3ccsc3)c2)cc1 ZINC000095575930 JK Annotated Mild CCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095575966 JK Annotated Anodyne O=c1c(N2CCC(c3ccccc3)CC2)cc2nc(-c3ccccc3)nn3c4ccccc4c1c23 ZINC000095576037 JK Annotated Bother COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC000095576086 JK Annotated Anodyne CSc1ccc(-n2c3c/c(=N\C(C)C)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095576268 JK Annotated Bother N#Cc1cncc(-c2cccc([C@@]3(c4ccnc(C(F)(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1 ZINC000095576333 JK Annotated Mild N#Cc1cncc(-c2cccc([C@]3(c4ccnc(C(F)(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1 ZINC000095576334 JK Annotated Mild Cc1ccccc1[C@@H](CNC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095576454 JK Annotated Anodyne Cc1ccccc1[C@H](CNC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095576455 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(Nc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095576683 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(Nc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095576684 JK Annotated Anodyne CN(C)CCN1CCN(c2c3cc(-c4ccc(F)c(F)c4)ccc3nc3c2[nH]c2ccccc23)CC1 ZINC000095577075 JK Annotated Bother CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095577168 JK Annotated Anodyne CO[C@@H]1C[C@@]2(CC[C@]3(C(=O)O)[C@H](CC[C@@H]4[C@@]5(C)C=CC(C)(C)[C@@H]5CC[C@]43C)[C@H]2C=C(C)C)C(=O)O1 ZINC000095577199 JK Annotated Anodyne COCc1cc(F)ccc1[C@H]1CCCn2nc(/C=C/c3ccc(-n4cnc(C)c4)c(OC)c3)nc21 ZINC000095577221 JK Annotated Anodyne O=C(NN1CCCCC1)c1cn(-c2ccc(F)cc2)c2cc(Sc3ccccc3)ccc2c1=O ZINC000095577250 JK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095577406 JK Annotated Bother Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cscn1)c1cccc(F)c1 ZINC000095577412 JK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cscn1)c1cccc(F)c1 ZINC000095577413 JK Annotated Anodyne Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C(C)C ZINC000095577456 JK Annotated Bother Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095577533 JK Annotated Anodyne CCCCCCCCCCCCCCCCCC[C@@H]1CC[P@](=O)(OC)OC(C)=C1C(=O)OC ZINC000095577590 JK Annotated Mild COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C(C)C ZINC000095577621 JK Annotated Bother C/C(=N\NC(=O)CCN1c2ccccc2Sc2ccccc21)C1=C(O)c2ccccc2C1=O ZINC000095577829 JK Annotated Reactive Cc1cccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095577914 JK Annotated Anodyne C(=C/c1cnc(/C=C/c2ccc(N3CCCCC3)cc2)cn1)\c1ccc(N2CCCCC2)cc1 ZINC000095577916 JK Annotated Clean C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)cnn1C)c1ccccc1 ZINC000095577941 JK Annotated Anodyne CN1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095577995 JK Annotated Bother C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)nnn1C)c1ccccc1 ZINC000095578045 JK Annotated Anodyne O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2SC2CCCC2)cc1 ZINC000095578095 JK Annotated Anodyne COc1c(C)cc(COc2ccc(-c3cccnc3N3CCc4ncccc4C3)cc2)nc1C ZINC000095578109 JK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cc4ccccc4o3)c2F)c1 ZINC000095578148 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3Br)c2F)c1 ZINC000095578156 JK Annotated Mild COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C(C)C)ccc1-c1ccnc(C)c1 ZINC000095578293 JK Annotated Anodyne CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cnc(Br)c4)cc3)cs2)c(C)c1 ZINC000095578299 JK Annotated Anodyne CC1(C)OC[C@@H](COc2ccc3c(c2)CCc2cc(Nc4ccc(F)cc4F)ccc2C3=O)O1 ZINC000095578307 JK Annotated Anodyne CO[C@H]1C[C@@]2(CC[C@]3(C(=O)O)[C@H](CC[C@@H]4[C@@]5(C)C=CC(C)(C)[C@@H]5CC[C@]43C)[C@H]2C=C(C)C)C(=O)O1 ZINC000095578314 JK Annotated Anodyne COc1cc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 ZINC000095578375 JK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095578695 JK Annotated Anodyne COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C(C)C)ccc1-n1cnc(C)c1 ZINC000095578729 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2cc(F)cc(Cl)c2)ccc1-n1cnc(C)c1 ZINC000095578760 JK Annotated Anodyne Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2ncnc(Nc3ccc(Cl)cc3)c12 ZINC000095578827 JK Annotated Bother COc1cc(/C=C2\CC[C@H]3CCC[C@@H](c4cc(F)c(F)c(F)c4)N3C2=O)ccc1-n1cnc(C)c1 ZINC000095578873 JK Annotated Anodyne CC(C)=C[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)C=CC(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C(=O)O)CC[C@@]12C[C@H](O)OC2=O ZINC000095578897 JK Annotated Anodyne CC(C)=C[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)C=CC(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C(=O)O)CC[C@@]12C[C@@H](O)OC2=O ZINC000095578898 JK Annotated Anodyne COc1cc(NC(=O)[C@@H](C)N2CCc3ccc(Br)cc3C2)ccc1-c1ccnc(C)c1 ZINC000095578953 JK Annotated Anodyne COc1cc(NC(=O)[C@H](C)N2CCc3ccc(Br)cc3C2)ccc1-c1ccnc(C)c1 ZINC000095578954 JK Annotated Anodyne O=C(Oc1coc(CSc2ccc(Cl)cc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000095578967 JK Annotated Bother O=C(c1sc2cc(F)ccc2c1Cl)N(Cc1cccc(-c2ccncc2)c1)C1CCNCC1 ZINC000095579050 JK Annotated Anodyne Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095579063 JK Annotated Anodyne Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Br)cc3)c-2c/c1=N\C(C)C ZINC000095579085 JK Annotated Bother Clc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095579089 JK Annotated Bother COc1cc(/C=C2\CCCN3C[C@@H](c4cccc5ccccc45)ON=C23)ccc1-n1cnc(C)c1 ZINC000095579140 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](c4cccc5ccccc45)ON=C23)ccc1-n1cnc(C)c1 ZINC000095579141 JK Annotated Anodyne Fc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095579171 JK Annotated Bother Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095579300 JK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095579301 JK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(F)c(F)c(F)c2)c1 ZINC000095579417 JK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(F)c(F)c(F)c2)c1 ZINC000095579418 JK Annotated Anodyne O=C(c1sc2ccccc2c1Cl)N(Cc1cccc(Br)c1)C1CCNCC1 ZINC000095579594 JK Annotated Anodyne CC1(C)C[C@H]2CN(Cc3c(O)ccc4c(=O)c(-c5nc6ccccc6s5)c(N)oc34)[C@](C)(C2)C1 ZINC000095579758 JK Annotated Clean COC(=O)[C@@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4cc(Cl)cc(Cl)c4)c23)C1 ZINC000095579890 JK Annotated Anodyne COC(=O)[C@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4cc(Cl)cc(Cl)c4)c23)C1 ZINC000095579891 JK Annotated Anodyne COC(=O)[C@@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4cc(Cl)cc(Cl)c4)c23)C1 ZINC000095579892 JK Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4cc(Cl)cc(Cl)c4)c23)C1 ZINC000095579893 JK Annotated Anodyne O=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000095579940 JK Annotated Anodyne O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1 ZINC000095579997 JK Annotated Anodyne C=CCN1[C@H](c2ccc(OC)cc2)C/C(=N\OCc2ccccc2)[C@@H](C)[C@@H]1c1ccc(OC)cc1 ZINC000095580079 JK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC ZINC000095580186 JK Annotated Mild Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C(C)C)cn1 ZINC000095580229 JK Annotated Bother N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3nc4ccccc4[nH]3)c2F)c1 ZINC000095580267 JK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3C(F)(F)F)c2F)c1 ZINC000095580350 JK Annotated Mild Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C(C)C)cn1 ZINC000095580353 JK Annotated Bother COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2cc(F)c(OC)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095580419 JK Annotated Anodyne Cc1ccc(Nc2nn(-c3ccccc3)c3nc(Nc4ccccc4)n(-c4ccccc4)c(=O)c23)cc1 ZINC000095580566 JK Annotated Anodyne Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 ZINC000095580576 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095580826 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1ccccn1 ZINC000095580851 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ncn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095580870 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)c(F)c1 ZINC000095580921 JK Annotated Mild CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095581013 JK Annotated Clean CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095581021 JK Annotated Clean CC(C)=CCc1cccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)c1 ZINC000095581032 JK Annotated Anodyne CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095581035 JK Annotated Clean Cc1coc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)n1 ZINC000095581055 JK Annotated Mild C=C(c1ccc(Cl)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(Cl)cc1)C1CC3CC(C1)CC2C3 ZINC000095581074 JK Annotated Reactive Cn1ccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)n1 ZINC000095581105 JK Annotated Anodyne Cc1c(CCC(=O)NCc2ccc(C(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095581169 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1C1COC1 ZINC000095581204 JK Annotated Mild CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095581217 JK Annotated Clean CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000095581272 JK Annotated Clean Cc1cc(CN2CCCC2)cc(C)c1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095581282 JK Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccccc2-c2ccccc2)cc1Cl ZINC000095581308 JK Annotated Anodyne O=S(=O)(Nc1ncc(Cl)s1)c1cc(F)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F ZINC000095581326 JK Annotated Anodyne Cc1c(CCC(=O)Nc2ccc(CC(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095581357 JK Annotated Anodyne Cc1cnccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581411 JK Annotated Mild CC(C)c1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)n1 ZINC000095581412 JK Annotated Mild CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c5c(oc4c(C)c3oc2=O)CCCC5)cc1 ZINC000095581416 JK Annotated Anodyne Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1Cl ZINC000095581507 JK Annotated Bother Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095581582 JK Annotated Anodyne Cc1ncsc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095581605 JK Annotated Mild Cc1n[nH]cc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095581712 JK Annotated Anodyne Cc1nc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)sc1F ZINC000095581753 JK Annotated Mild Cn1ncc(F)c1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095581760 JK Annotated Anodyne CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095581788 JK Annotated Clean O=S(=O)(Nc1ncc(F)s1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095581792 JK Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ccncn3)cc2Cl)ccn1 ZINC000095581833 JK Annotated Anodyne CCCCCCNC(=O)CCc1[nH]c2cc(C)ccc2c1Sc1cc(Cl)cc(Cl)c1 ZINC000095581879 JK Annotated Anodyne CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000095581898 JK Annotated Clean Cc1cc(Oc2ccc(S(=O)(=O)Nc3ncc(Cl)s3)cc2C#N)n(C2CCCCC2)n1 ZINC000095581911 JK Annotated Mild CCOP(=O)(OCC)[C@](C)(N)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095581945 JK Annotated Reactive CCOP(=O)(OCC)[C@@](C)(N)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095581946 JK Annotated Reactive Cc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095581951 JK Annotated Anodyne Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cs1 ZINC000095582035 JK Annotated Mild Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095582080 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccnc(C(F)(F)F)n2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095582107 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000095582143 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C3CC3)n[nH]2)c(Cl)c1 ZINC000095582192 JK Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccccc2-c2ccccc2)cc1F ZINC000095582333 JK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095582385 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1ccon1 ZINC000095582451 JK Annotated Mild Cc1cn(C(F)F)nc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095582510 JK Annotated Mild CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3cc4c5c(oc4c(C)c3oc2=O)CCCC5)cc1 ZINC000095582661 JK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2nc(Cc3ccc(Cl)cc3)cs2)cc1F ZINC000095582685 JK Annotated Anodyne Cc1ncccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095582693 JK Annotated Mild Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2S(=O)(=O)c2ccccc2)s1 ZINC000095582703 JK Annotated Anodyne Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2S(=O)(=O)c2ccccc2)s1 ZINC000095582704 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cn[nH]c1 ZINC000095582724 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1-c1ccc(F)cc1F ZINC000095582873 JK Annotated Mild COc1cc2c(cc1OC)C(=O)[C@H](CCCCCCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095582895 JK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095582896 JK Annotated Anodyne Cc1c(CCC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 ZINC000095582908 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1OCc1ccccc1 ZINC000095582924 JK Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(-c3cc(C(F)(F)F)n[nH]3)cc2)c(F)c1 ZINC000095582983 JK Annotated Anodyne Cc1ccccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583127 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095583201 JK Annotated Mild CC(C)c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(-c2ccnn2C)c1 ZINC000095583220 JK Annotated Mild CC(C)(C)n1ccc(Cc2cccc(Oc3ccc(S(=O)(=O)Nc4cscn4)cc3C#N)c2)n1 ZINC000095583231 JK Annotated Mild Cc1c(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095583254 JK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F ZINC000095583274 JK Annotated Anodyne N#Cc1ccc2ncn(C[C@H]3CCC[C@]4(C3)CN(Cc3cccc(Br)c3)C(=O)O4)c2c1 ZINC000095583336 JK Annotated Mild O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1 ZINC000095583368 JK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cc1 ZINC000095583413 JK Annotated Anodyne O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095583481 JK Annotated Anodyne COC1=C(OC)C(=O)C(CCCCCCCCCCn2cc[n+](Cc3ccccc3)c2)=C(C)C1=O ZINC000095583642 JK Annotated Mild Cc1c(CCC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095583692 JK Annotated Anodyne Cc1cc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)sn1 ZINC000095583772 JK Annotated Mild CC(C)(C)n1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095583806 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1Oc1ccccc1 ZINC000095583829 JK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F ZINC000095583841 JK Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)c(F)c1 ZINC000095583908 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)cc1 ZINC000095583947 JK Annotated Mild CC(C)Oc1cccc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095583979 JK Annotated Mild Cn1nccc1-c1cc(C2CC2)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095583991 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C2CC2)nn1C1CCCCC1 ZINC000095584026 JK Annotated Mild O=S(=O)(Nc1ncc(Cl)s1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095584029 JK Annotated Anodyne N#Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)c1 ZINC000095584069 JK Annotated Mild O=S(=O)(Nc1cc(CO)ccc1Cl)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000095584091 JK Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095584101 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095584152 JK Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccccc2-c2ccccc2)c(C(F)(F)F)c1 ZINC000095584174 JK Annotated Anodyne COc1cc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)ccc1C#N ZINC000095584214 JK Annotated Mild CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1-c1ccc(N2CCCCC2)cc1 ZINC000095584221 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1Oc1ccccc1 ZINC000095584339 JK Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1 ZINC000095584374 JK Annotated Anodyne O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 ZINC000095584472 JK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F ZINC000095584482 JK Annotated Anodyne CCn1nc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)cc1C1CC1 ZINC000095584485 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cn[nH]c1 ZINC000095584487 JK Annotated Mild O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F ZINC000095584505 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cccnc1 ZINC000095584513 JK Annotated Mild Cc1cccc(-c2ccc(F)c(F)c2)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095584524 JK Annotated Mild CCn1nc(C2CC2)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095584580 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(F)cc1-c1cc(F)ccc1F ZINC000095584590 JK Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F ZINC000095584591 JK Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2F)ccn1 ZINC000095584637 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000095584643 JK Annotated Mild CC(C)Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2ccnn2C)c1 ZINC000095584650 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(F)s2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095584655 JK Annotated Mild N#C[C@@H](C(=O)NCc1cccc(-c2nccs2)c1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095584660 JK Annotated Mild N#C[C@H](C(=O)NCc1cccc(-c2nccs2)c1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095584661 JK Annotated Mild CC(C)(C)n1cc(Cc2cccc(Oc3ccc(S(=O)(=O)Nc4cscn4)cc3C#N)c2)cn1 ZINC000095584849 JK Annotated Mild O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095584888 JK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1Oc1ccncc1 ZINC000095585011 JK Annotated Mild O=S(=O)(Nc1cscn1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1 ZINC000095585035 JK Annotated Anodyne CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1 ZINC000095585138 JK Annotated Clean CCOC(=O)c1ccc(-c2cc3c(cc2N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C3)cc1 ZINC000095585176 JK Annotated Anodyne COCc1cccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095585194 JK Annotated Mild CCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)n1 ZINC000095585241 JK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]3CC[C@]12O)C(C)C ZINC000095585266 JK Annotated Mild COc1cccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095585334 JK Annotated Mild O=S(=O)(Nc1cccc(CO)c1Cl)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000095585358 JK Annotated Anodyne CCN(CC)c1ccc(CN(C23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000095585371 JK Annotated Clean CC(C)(C)n1ccc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)c(F)c2)n1 ZINC000095585386 JK Annotated Mild C=C(c1ccc(Br)cc1)[C@H]1OOC2(CCCCC2)O[C@@H]1c1ccc(Br)cc1 ZINC000095585445 JK Annotated Reactive O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)c(Cl)c1 ZINC000095585465 JK Annotated Anodyne COc1ccccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1 ZINC000095585475 JK Annotated Anodyne COCc1ccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095585548 JK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000095585563 JK Annotated Mild C=C(c1ccc(Br)cc1)[C@H]1OOC2(CCCC2)O[C@@H]1c1ccc(Br)cc1 ZINC000095585608 JK Annotated Reactive Cc1scnc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C)cc1F ZINC000095585635 JK Annotated Anodyne CC(C)Oc1ccc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1 ZINC000095585645 JK Annotated Mild CC(C)=C[C@H]1OC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O ZINC000095585959 JK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000095586015 JK Annotated Anodyne COc1cc2c(c(OCc3ccc(Cl)cc3)c1OC)C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O ZINC000095586045 JK Annotated Anodyne CN1CCC(COCc2cc(C(F)(F)F)cc(N3CC[C@@H]4C[C@@H]43)n2)(c2ccc(F)cc2)CC1 ZINC000095586158 JK Annotated Anodyne Cc1nn(-c2cc(Cl)ccc2Cl)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2 ZINC000095586278 JK Annotated Anodyne C=C(CO)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]23C)C[C@]12CCC(=O)O2 ZINC000095586422 JK Annotated Mild CCCc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1 ZINC000095586471 JK Annotated Anodyne CCN(CC)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095586572 JK Annotated Anodyne CCCCCCCCCCCCOCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OCO[C@H]21 ZINC000095586696 JK Annotated Mild CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nccn1C(C)C ZINC000095586775 JK Annotated Anodyne CN(Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O)Cc1c2ccccc2cc2ccccc12 ZINC000095586776 JK Annotated Clean CCCCCc1ccccc1CNC[C@H]1CCC[C@@H](CNCc2ccccc2CCCCC)C1 ZINC000095586794 JK Annotated Anodyne CCCCCc1ccccc1CNC[C@H]1CCC[C@H](CNCc2ccccc2CCCCC)C1 ZINC000095586795 JK Annotated Anodyne CCCCCc1ccccc1CNC[C@@H]1CCC[C@@H](CNCc2ccccc2CCCCC)C1 ZINC000095586796 JK Annotated Anodyne CN1C[C@H](c2ccc(Cl)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095586818 JK Annotated Anodyne FC(F)(F)c1ccccc1CNC[C@H]1CCC[C@@H](CNCc2ccccc2C(F)(F)F)C1 ZINC000095586827 JK Annotated Anodyne FC(F)(F)c1ccccc1CNC[C@H]1CCC[C@H](CNCc2ccccc2C(F)(F)F)C1 ZINC000095586828 JK Annotated Anodyne FC(F)(F)c1ccccc1CNC[C@@H]1CCC[C@@H](CNCc2ccccc2C(F)(F)F)C1 ZINC000095586829 JK Annotated Anodyne COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OCc3ccc(Cl)cc3)c1C2=O ZINC000095586837 JK Annotated Clean CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1CCCC(F)(F)F ZINC000095587090 JK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@@H]1COc2c(c(-c4ccccc4)nn2-c2ccccc2)[C@H]31 ZINC000095587167 JK Annotated Anodyne O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccc(-c3ccc4ccccc4c3)cc2C1 ZINC000095587201 JK Annotated Anodyne N#Cc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4ccccc43)on2)cc1 ZINC000095587323 JK Annotated Mild COc1cc([C@@H]2CC(/C=C/[C@@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc(OC)c1OC ZINC000095587366 JK Annotated Anodyne COc1cc([C@@H]2CC(/C=C/[C@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc(OC)c1OC ZINC000095587367 JK Annotated Anodyne COc1cc([C@H]2CC(/C=C/[C@@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc(OC)c1OC ZINC000095587368 JK Annotated Anodyne COc1cc([C@H]2CC(/C=C/[C@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc(OC)c1OC ZINC000095587369 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@H]12 ZINC000095587384 JK Annotated Mild COc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2c(-c3ccc(F)cc3)nc3c(C)cccn23)c1C#N ZINC000095587460 JK Annotated Mild CN1CCC(COCc2cc(C(F)(F)F)cc(C3CCCC3)n2)(c2ccc(F)cc2)CC1 ZINC000095587493 JK Annotated Anodyne COc1ccc(C(=O)C[n+]2cn([C@@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 ZINC000095587551 JK Annotated Mild COc1ccc(C(=O)C[n+]2cn([C@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 ZINC000095587552 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000095587629 JK Annotated Mild COc1ccc([C@H]2CN(C)[C@@]3(C(=O)c4cccc5cccc3c45)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000095587733 JK Annotated Anodyne FC(F)(F)c1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000095587766 JK Annotated Anodyne FC(F)(F)c1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000095587767 JK Annotated Anodyne FC(F)(F)c1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000095587768 JK Annotated Anodyne CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)C2)C(C)(C)CCC1 ZINC000095587773 JK Annotated Anodyne CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)C(C)(C)CCC1 ZINC000095587774 JK Annotated Anodyne CCCCCCCCCCCCCCC[S@@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095587805 JK Annotated Mild CCCCCCCCCCCCCCC[S@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095587806 JK Annotated Mild COc1cc(N2Cc3ccc(Sc4ccc(F)cc4F)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095587870 JK Annotated Anodyne O=C(C[n+]1cn([C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc(O)cc1 ZINC000095587872 JK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc(O)cc1 ZINC000095587873 JK Annotated Mild O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095587892 JK Annotated Anodyne CC1=Nc2cc(C)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncn(-c2ccccc2C)n1 ZINC000095587926 JK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C\C#CC(=O)O ZINC000095587946 JK Annotated Mild CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095588025 JK Annotated Anodyne CN1C[C@H](c2cccc3c2OCO3)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095588202 JK Annotated Anodyne CCc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(OC)cc1 ZINC000095588239 JK Annotated Mild CCc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(OC)cc1 ZINC000095588240 JK Annotated Mild CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H](O)[C@@H](NCc3ccc(Cl)cc3Cl)CC[C@]12C ZINC000095588266 JK Annotated Anodyne Cc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000095588342 JK Annotated Mild Cc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000095588343 JK Annotated Mild Cc1nn(-c2ccccc2Cl)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1C(C)(C)O2 ZINC000095588345 JK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N/Nc1nc(-c2ccccc2)cs1)c1ccccc1-3 ZINC000095588405 JK Annotated Mild COc1cc(N2Cc3ccc(-c4cccc(C)c4C)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095588499 JK Annotated Anodyne COc1ccc(-c2nc(SCc3ccccc3)nc(N3CCC(c4ccccc4)CC3)c2C#N)cc1 ZINC000095588500 JK Annotated Mild CCCc1oc(=O)c([C@@H](C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)C ZINC000095588501 JK Annotated Anodyne CCCc1oc(=O)c([C@H](C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)C ZINC000095588502 JK Annotated Anodyne O=C(C[n+]1cn([C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc2ccccc2c1 ZINC000095588518 JK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc2ccccc2c1 ZINC000095588519 JK Annotated Mild Sc1nnc(COc2cccc3ccccc23)n1/N=C/c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000095588538 JK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCC#CCCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000095588555 JK Annotated Mild CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCCCCCCC3)nc12 ZINC000095588600 JK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccnc3)c2OCCN2CCCCC2)O1 ZINC000095588611 JK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccnc3)c2OCCN2CCCCC2)O1 ZINC000095588612 JK Annotated Mild Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)c3ccc(C(=O)C(F)(F)F)cc3)CCO4)cc2[nH]1 ZINC000095588653 JK Annotated Anodyne Cc1cccc2cc3c(nc12)SC[C@@H]1COc2c(c(-c4ccccc4)nn2-c2ccccc2)[C@H]31 ZINC000095588686 JK Annotated Anodyne Brc1ccccc1CNC[C@H]1CCC[C@@H](CNCc2ccccc2Br)C1 ZINC000095588782 JK Annotated Anodyne Brc1ccccc1CNC[C@H]1CCC[C@H](CNCc2ccccc2Br)C1 ZINC000095588783 JK Annotated Anodyne Brc1ccccc1CNC[C@@H]1CCC[C@@H](CNCc2ccccc2Br)C1 ZINC000095588784 JK Annotated Anodyne CC(C)=CC(=O)[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000095588871 JK Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(SC(F)(F)F)cc3)c2C)C1=O ZINC000095588893 JK Annotated Mild O=C(C[n+]1cn([C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc(F)cc1 ZINC000095588984 JK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc(F)cc1 ZINC000095588985 JK Annotated Mild CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000095588997 JK Annotated Anodyne CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCCCCCNC(=O)c2ccccc2NC)C1 ZINC000095589033 JK Annotated Anodyne O=[N+]([O-])c1ccc(Sc2nc3ccccc3n2Cc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 ZINC000095589053 JK Annotated Bother COc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2c(-c3ccccc3)nc3c(C)cccn23)c1C#N ZINC000095589106 JK Annotated Mild Oc1ccc(-c2cc(-c3ccc(O)cc3Cl)c(-c3ccc(O)cc3Cl)s2)c(Cl)c1 ZINC000095589124 JK Annotated Anodyne Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1C(C)(C)O2 ZINC000095589143 JK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H](NCc3ccc(Cl)cc3Cl)CC[C@]12C ZINC000095589152 JK Annotated Anodyne COc1ccc2c(/C=C/c3ccc(O[C@@H](C)CN(C)C)cc3)c(-c3ccccc3)c(=O)oc2c1 ZINC000095589222 JK Annotated Anodyne COc1ccc2c(/C=C/c3ccc(O[C@H](C)CN(C)C)cc3)c(-c3ccccc3)c(=O)oc2c1 ZINC000095589223 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095589265 JK Annotated Anodyne c1cc(N2CCCCC2)ccc1CNC[C@H]1CCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000095589267 JK Annotated Clean c1cc(N2CCCCC2)ccc1CNC[C@H]1CCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000095589268 JK Annotated Clean c1cc(N2CCCCC2)ccc1CNC[C@@H]1CCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000095589269 JK Annotated Clean CN1C[C@H](c2ccc(C(=O)O)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095589295 JK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1 ZINC000095589312 JK Annotated Mild CC(C)=C[C@H](O)[C@@H](O)[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000095589313 JK Annotated Anodyne COc1cc(N2Cc3ccc(-c4ccc(C(F)(F)F)cc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095589435 JK Annotated Anodyne CCOC(=O)c1sc2c(OC)c(C)c(C)c(C)c2c1Nc1cc(OC)c(OC)c(OC)c1 ZINC000095589528 JK Annotated Anodyne CCOCCn1ccnc1[C@H]1C(C)=Nc2cc(C(F)(F)F)nn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000095589568 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2Cl)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1C(C)(C)O2 ZINC000095589596 JK Annotated Anodyne O=C(CSc1nc2ccccc2o1)N/N=C/c1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000095589733 JK Annotated Reactive Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1C(C)(C)O2 ZINC000095589783 JK Annotated Anodyne COc1cc(N2Cc3ccc(Sc4ccc(C)cc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095590034 JK Annotated Anodyne CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095590064 JK Annotated Bother O=C1C[C@@H](c2ccc(Br)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000095590192 JK Annotated Bother O=C1C[C@H](c2ccc(Br)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000095590193 JK Annotated Bother COc1c(C)cc(O)cc1/C=C/[C@](C)(O)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000095590195 JK Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@@](C)(O)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000095590196 JK Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@](C)(O)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000095590197 JK Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@@](C)(O)CC(=O)/C=C(/C)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000095590198 JK Annotated Mild CCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095590200 JK Annotated Mild O=[N+]([O-])c1ccc(C[n+]2cn([C@@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 ZINC000095590253 JK Annotated Bother O=[N+]([O-])c1ccc(C[n+]2cn([C@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 ZINC000095590254 JK Annotated Bother CC(C)=CCC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(C=O)ccc3O)cc(CC=C(C)C)c2O1 ZINC000095590269 JK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3cc(C=O)ccc3O)cc(CC=C(C)C)c2O1 ZINC000095590270 JK Annotated Mild COCO[C@@H]1[C@@H]2OC[C@]3(C)C=CC(=O)[C@@](C)([C@@H]23)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000095590364 JK Annotated Anodyne Cc1nn(-c2cc(Cl)ccc2Cl)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095590556 JK Annotated Anodyne Oc1ccc(CC2=C(c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc32)cc1 ZINC000095590613 JK Annotated Anodyne Oc1ccc(CC2=C(c3cc(O)cc(O)c3)[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc32)cc1 ZINC000095590614 JK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095590664 JK Annotated Mild CCCCCCCCCCCCCCCCCC[S@@](=O)C1=CC(=O)c2ccccc2C1=O ZINC000095590848 JK Annotated Mild CCCCCCCCCCCCCCCCCC[S@](=O)C1=CC(=O)c2ccccc2C1=O ZINC000095590849 JK Annotated Mild CCCCN(CCCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cccc4O[C@]123 ZINC000095590982 JK Annotated Mild COc1cc(N2Cc3ccc(Sc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095591008 JK Annotated Anodyne Cc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000095591054 JK Annotated Mild Cc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000095591055 JK Annotated Mild CCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095591170 JK Annotated Mild Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2 ZINC000095591251 JK Annotated Anodyne COc1cc(N2Cc3ccc(Sc4ccc(F)c(F)c4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095591398 JK Annotated Anodyne CC(=O)Nc1cccc(-c2ccc3c(c2)CN(C(=O)c2ccc(C(=O)C(F)(F)F)cc2)CCO3)c1 ZINC000095591465 JK Annotated Anodyne CN(C)c1ccc([C@H]2CN(C)[C@@]3(C(=O)c4cccc5cccc3c45)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000095591548 JK Annotated Anodyne Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1C(C)(C)O2 ZINC000095591557 JK Annotated Anodyne Cc1nn(-c2ccccc2Cl)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1C(C)(C)O2 ZINC000095591571 JK Annotated Anodyne COc1cc(N2Cc3ccc(-c4cc(C)ccc4C)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095591575 JK Annotated Anodyne O=C(C[n+]1ccn([C@@H](c2ccccc2)c2cc3ccccc3o2)c1)c1ccc(Br)cc1 ZINC000095591675 JK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2cc3ccccc3o2)c1)c1ccc(Br)cc1 ZINC000095591676 JK Annotated Mild COc1cc(-c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)nn2-c2ccccc2)cc(OC)c1OC ZINC000095591719 JK Annotated Anodyne COc1cc(-c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)nn2-c2ccccc2)cc(OC)c1OC ZINC000095591720 JK Annotated Anodyne C=C1COC(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000095591723 JK Annotated Mild O=C(CCc1nnc2sc(C(c3ccccc3)c3ccccc3)nn12)c1nc2ccccc2[nH]1 ZINC000095591838 JK Annotated Anodyne CN1C[C@@](O)(c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)O[C@H]2CCCC[C@H]21 ZINC000095591901 JK Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)O[C@H]2CCCC[C@H]21 ZINC000095591902 JK Annotated Anodyne CNc1ncnc(NC(C)C)c1N(C=O)C/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000095592007 JK Annotated Anodyne O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccc(-c3ccc4cn[nH]c4c3)cc2C1 ZINC000095592071 JK Annotated Anodyne c1cc(N2CCCC2)ccc1CNC[C@H]1CCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000095592175 JK Annotated Clean c1cc(N2CCCC2)ccc1CNC[C@H]1CCC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000095592176 JK Annotated Clean c1cc(N2CCCC2)ccc1CNC[C@@H]1CCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC000095592177 JK Annotated Clean COc1ccc(OC)c([C@H]2CN(C)[C@@]3(C(=O)c4cccc5cccc3c45)[C@@]23Cc2ccccc2C3=O)c1 ZINC000095592197 JK Annotated Anodyne N#Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 ZINC000095592374 JK Annotated Mild Cc1cccn2c(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]c(=O)c3C#N)c(-c3ccc(F)cc3)nc12 ZINC000095592422 JK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(Br)cc3)c2O)O1 ZINC000095592438 JK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(Br)cc3)c2O)O1 ZINC000095592439 JK Annotated Mild CCc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000095592537 JK Annotated Mild CCc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000095592538 JK Annotated Mild COc1cc([C@@H]2CC(/C=C/C3=C(C)CCCC3(C)C)=NN2c2ccccc2)cc(OC)c1OC ZINC000095592561 JK Annotated Anodyne COc1cc([C@H]2CC(/C=C/C3=C(C)CCCC3(C)C)=NN2c2ccccc2)cc(OC)c1OC ZINC000095592562 JK Annotated Anodyne CC1(C)CCc2cc(C(=O)/C=C/c3ccc(Br)cc3)c3c(c2O1)CCC(C)(C)O3 ZINC000095592637 JK Annotated Mild C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CCCC2)n1 ZINC000095592688 JK Annotated Anodyne C/C(=N\Nc1nc([C@@H]2CCCN2C(=O)OCc2ccccc2)cs1)c1ccc2c(c1)CCC2 ZINC000095592744 JK Annotated Mild COc1ccccc1-n1ncnc1[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000095592863 JK Annotated Anodyne COc1cc(N2Cc3ccc(Sc4ccc(Cl)cc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095592903 JK Annotated Anodyne CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C#N)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000095592947 JK Annotated Reactive CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cc4cc(C)ccc4nc3Cl)c2O)O1 ZINC000095592962 JK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cc4cc(C)ccc4nc3Cl)c2O)O1 ZINC000095592963 JK Annotated Mild COc1cc(/C=C2\CCCCN3C2=NOC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095593038 JK Annotated Anodyne COc1ccccc1C(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000095593095 JK Annotated Anodyne COc1ccccc1C(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000095593096 JK Annotated Anodyne O=C1C(O)=C([C@H](Sc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095593174 JK Annotated Mild O=C1C(O)=C([C@@H](Sc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095593175 JK Annotated Mild CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1 ZINC000095593187 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1 ZINC000095593188 JK Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C(=O)O ZINC000095593198 JK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c1-c1ccccc1Br ZINC000095593303 JK Annotated Mild COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000095593346 JK Annotated Anodyne CCN(C)CCCOc1ccc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095593394 JK Annotated Anodyne CSc1ccc(S[C@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000095593532 JK Annotated Mild CSc1ccc(S[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000095593533 JK Annotated Mild N#Cc1c(N)nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c1-c1ccccc1Cl ZINC000095593547 JK Annotated Mild CCCOc1ccc(-n2nncc2COc2cc(C)c3c(c2C)[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC3)cc1Cl ZINC000095593590 JK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@@H](c4cc(F)cc(Cl)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095593657 JK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1-c1ccccc1Br ZINC000095593663 JK Annotated Mild COc1cc(/C=C2\CCC/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc(OC)c1 ZINC000095593702 JK Annotated Mild COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(OC)ccc2[C@@H]4c2ccc(Cl)cc2)cc1 ZINC000095594081 JK Annotated Anodyne COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(OC)ccc2[C@H]4c2ccc(Cl)cc2)cc1 ZINC000095594082 JK Annotated Anodyne C/C(=C/CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000095594190 JK Annotated Anodyne O=C1C(O)=C([C@@H](Sc2ccc3ccccc3c2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095594294 JK Annotated Mild O=C1C(O)=C([C@H](Sc2ccc3ccccc3c2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095594295 JK Annotated Mild COc1ccc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000095594347 JK Annotated Anodyne COc1ccc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000095594348 JK Annotated Anodyne CCOC(=O)[C@@H](c1cccc2ccccc12)n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O ZINC000095594394 JK Annotated Anodyne CCOC(=O)[C@H](c1cccc2ccccc12)n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O ZINC000095594395 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccc(O)c1)c1ccc(C(C)(C)C)cc1 ZINC000095594431 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccc(O)c1)c1ccc(C(C)(C)C)cc1 ZINC000095594432 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095594478 JK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2Sc2cc(OC)c(OC)c(OC)c2)cc1OC(C)C ZINC000095594544 JK Annotated Anodyne CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccc(C)cc3)[C@@H]1/C=C(\C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000095594652 JK Annotated Mild Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCc3ccccc3Cl)c1)CCC2 ZINC000095594656 JK Annotated Anodyne CN(C)c1cc[n+]([C@@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000095594684 JK Annotated Reactive CN(C)c1cc[n+]([C@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000095594685 JK Annotated Reactive CC(=O)O[C@@H]1O[C@H](CCC(C)C)[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]132 ZINC000095594749 JK Annotated Mild CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000095594833 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000095594834 JK Annotated Anodyne NC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095594964 JK Annotated Anodyne O=C1Nc2cc([C@H](CO)NCc3ccccc3)ccc2C(c2ccccc2)=N[C@@H]1c1ccccc1 ZINC000095594989 JK Annotated Anodyne O=C1Nc2cc([C@@H](CO)NCc3ccccc3)ccc2C(c2ccccc2)=N[C@@H]1c1ccccc1 ZINC000095594990 JK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c2c1-c1ccccc1Cl ZINC000095595089 JK Annotated Mild COc1ccc(Oc2c(Cl)cnn(CC(=O)C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000095595096 JK Annotated Anodyne COc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000095595116 JK Annotated Anodyne COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000095595117 JK Annotated Anodyne Cc1cc(OCc2cnnn2-c2ccc(-c3ccccc3)cc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095595174 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNC(C)(C)C)c(C)c3oc2=O)ccc1O ZINC000095595222 JK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(Cl)o1)c1ccc(C(C)(C)C)cc1 ZINC000095595289 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)o1)c1ccc(C(C)(C)C)cc1 ZINC000095595290 JK Annotated Anodyne Cc1cc(OCc2cnnn2-c2ccc(Br)cc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095595311 JK Annotated Anodyne CCOc1ccc2c(c1)Oc1ncn3nc(-c4ccc(OC)cc4)nc3c1[C@@H]2c1ccc(Cl)cc1 ZINC000095595323 JK Annotated Anodyne CCOc1ccc2c(c1)Oc1ncn3nc(-c4ccc(OC)cc4)nc3c1[C@H]2c1ccc(Cl)cc1 ZINC000095595324 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc3c2NC(=O)[C@H](c2ccccc2)N=C3c2ccccc2)CC1 ZINC000095595359 JK Annotated Anodyne CC(C)(O)C[C@@H]1C=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C(=O)O1 ZINC000095595361 JK Annotated Anodyne N#Cc1ccccc1-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 ZINC000095595371 JK Annotated Mild CCOC(=O)C1=CN(Cc2ccc(C(F)(F)F)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1 ZINC000095595405 JK Annotated Anodyne CNC(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)S1 ZINC000095595415 JK Annotated Anodyne CNC(=O)C1=C(C(C)C)N2C(=N[C@](C)(c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)S1 ZINC000095595416 JK Annotated Anodyne CNC(=O)C1=C(C(C)C)N2C(=N[C@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000095595417 JK Annotated Anodyne CC(=O)O[C@H]1O[C@H](CCC(C)C)[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]312 ZINC000095595499 JK Annotated Mild COc1cc(/C=C2\CCCN3CC[C@@H](c4cc(F)c(F)c(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095595511 JK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@H](c4cc(F)c(F)c(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095595512 JK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCn3c4ccccc4c(=O)c4ccccc43)ccc2c1 ZINC000095595514 JK Annotated Bother COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(F)cc2F)ccc1-n1cnc(C)c1 ZINC000095595564 JK Annotated Anodyne O=Cc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095595584 JK Annotated Anodyne CCOC(=O)/C(C#N)=C\C=C1/C=CC=CN1CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000095595591 JK Annotated Reactive COc1ccc(Oc2c(Cl)cnn(C3=Nc4cc(Cl)ccc4Oc4ccccc43)c2=O)cc1 ZINC000095595641 JK Annotated Anodyne N#Cc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095595798 JK Annotated Mild CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1O ZINC000095595813 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CCCN(C)C4)c(C)c3oc2=O)ccc1O ZINC000095595814 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2cc(F)cc(Cl)c2)ccc1-n1cnc(C)c1 ZINC000095595846 JK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCCCc3ccccc3)cc1n2CC(C)C ZINC000095595873 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNC(C)C)c(C)c3oc2=O)ccc1O ZINC000095595900 JK Annotated Anodyne C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000095595985 JK Annotated Mild CCCNCCCOc1ccc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095596078 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(F)c(Cl)c2)ccc1-n1cnc(C)c1 ZINC000095596267 JK Annotated Anodyne Cc1cc(OCc2cnnn2-c2ccccc2C(F)(F)F)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095596357 JK Annotated Anodyne O=c1c(/C=C/[C@H](O)c2ccc(C(F)(F)F)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000095596523 JK Annotated Anodyne O=c1c(/C=C/[C@@H](O)c2ccc(C(F)(F)F)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000095596524 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(Cl)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095596536 JK Annotated Anodyne CCOc1ccc2c(c1)Oc1ncn3nc(CCCCl)nc3c1[C@@H]2c1ccc(Cl)cc1 ZINC000095596622 JK Annotated Reactive CCOc1ccc2c(c1)Oc1ncn3nc(CCCCl)nc3c1[C@H]2c1ccc(Cl)cc1 ZINC000095596623 JK Annotated Reactive COc1cc(/C=C2\CCCN3CC[C@@H](c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095596634 JK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@H](c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095596635 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095596679 JK Annotated Anodyne O=P(NCc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1ccccc1)c1ccccc1 ZINC000095596686 JK Annotated Reactive CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000095596742 JK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000095596743 JK Annotated Anodyne CCN(CC)CCCOc1ccc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095596871 JK Annotated Anodyne CC(C)(O)C[C@H]1C=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C(=O)O1 ZINC000095596906 JK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc3c2NC(=O)[C@@H](c2ccccc2)N=C3c2ccccc2)CC1 ZINC000095597298 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@H](C)C[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095597395 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@H](C)C[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095597396 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@H](C)C[C@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095597397 JK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@H](C)C[C@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000095597398 JK Annotated Anodyne O=C1Nc2cc([C@@H](O)CNCc3ccccc3)ccc2C(c2ccccc2)=N[C@@H]1c1ccccc1 ZINC000095597464 JK Annotated Anodyne O=C1Nc2cc([C@H](O)CNCc3ccccc3)ccc2C(c2ccccc2)=N[C@@H]1c1ccccc1 ZINC000095597465 JK Annotated Anodyne CCOC(=O)/C(C#N)=C\C=C1C=CN(CC(=O)N2c3ccccc3Sc3ccccc32)C=C1 ZINC000095597878 JK Annotated Reactive O=C1Nc2cc([C@H](CO)NCc3ccccc3)ccc2C(c2ccccc2)=N[C@H]1c1ccccc1 ZINC000095597923 JK Annotated Anodyne O=C1Nc2cc([C@@H](CO)NCc3ccccc3)ccc2C(c2ccccc2)=N[C@H]1c1ccccc1 ZINC000095597924 JK Annotated Anodyne COc1ccc2cc(-n3nncc3COc3cc(C)c4c(c3C)[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC4)ccc2c1 ZINC000095597988 JK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNCC(C)C)c(C)c3oc2=O)ccc1O ZINC000095597992 JK Annotated Anodyne CC(C)C1=C(C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095598009 JK Annotated Anodyne CC(C)C1=C(C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095598010 JK Annotated Anodyne Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1 ZINC000095598090 JK Annotated Anodyne O=C1C(O)=C([C@H](Sc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095598129 JK Annotated Mild O=C1C(O)=C([C@@H](Sc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095598130 JK Annotated Mild Cc1cc(OCc2cnnn2-c2ccc3ccccc3c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095598187 JK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3cccc(C(F)(F)F)c3)c(N)c2c1-c1ccccc1Cl ZINC000095598308 JK Annotated Mild O=C(O)[C@H]1CCCN(CCN/N=C/c2ccccc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000095598319 JK Annotated Mild O=C(O)[C@@H]1CCCN(CCN/N=C/c2ccccc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000095598320 JK Annotated Mild Cc1csc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3C)cc2)c1 ZINC000095598521 JK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@@H](C)N1 ZINC000095598592 JK Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3Cl)c2)C[C@@H](C)N1 ZINC000095598608 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)cccc3c2)c(C[N+](C)(C)C)c1 ZINC000095598651 JK Annotated Bother COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000095598757 JK Annotated Anodyne COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccsc2)cc1OC ZINC000095598807 JK Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(-c3ccc(C(C)(C)C)cc3)nn2)on1 ZINC000095598841 JK Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(-c3ccc(C(C)(C)C)cc3)nn2)on1 ZINC000095598842 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095598960 JK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095598961 JK Annotated Anodyne O=S(=O)(c1cc(Cl)cc(Cl)c1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 ZINC000095598981 JK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(C)=O)N2c2ccc(-c3cccs3)cc2)c1 ZINC000095599013 JK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(C)=O)N2c2ccc(-c3cccs3)cc2)c1 ZINC000095599014 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)NC1CCCCC1 ZINC000095599124 JK Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095599145 JK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1c3c(-c4ccccc4)nnn3-c3ccccc3C(=O)N1CC2 ZINC000095599270 JK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@H]1c3c(-c4ccccc4)nnn3-c3ccccc3C(=O)N1CC2 ZINC000095599271 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095599308 JK Annotated Mild COc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000095599444 JK Annotated Mild COc1ccc(N2c3ccccc3CN(Cc3ccccc3)[C@@H](C)[C@H]2Cc2c(C)cccc2C)cc1 ZINC000095599485 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095599934 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095600193 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@H]34)cc2)cc1 ZINC000095600431 JK Annotated Anodyne COc1ccc(CCc2nc3ccccc3n2[C@@H](CCc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000095600550 JK Annotated Anodyne COc1ccc(CCc2nc3ccccc3n2[C@H](CCc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000095600551 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095600579 JK Annotated Anodyne C[C@H]1[C@@H](Cc2cc(Cl)cc(Cl)c2)N(c2ccccc2)c2ccccc2CN1Cc1ccccc1 ZINC000095600733 JK Annotated Anodyne COc1ccc(-c2c(Sc3ccccc3)c3cc(-c4ccc(OC)c(F)c4)ccc3n2C)cc1 ZINC000095600749 JK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3cccc(Cl)c3)c(Cc3cccc(Cl)c3)n2c1 ZINC000095600823 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)cc1 ZINC000095600892 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095601065 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095601066 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1Cl ZINC000095601082 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000095601083 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1Cl ZINC000095601084 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000095601085 JK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccc([N+](=O)[O-])cc4)=Cc4ccccc4[C@H]3CC(C)=O)cc2)cn1 ZINC000095601356 JK Annotated Bother COc1ncc(-c2ccc(N3C(c4ccc([N+](=O)[O-])cc4)=Cc4ccccc4[C@@H]3CC(C)=O)cc2)cn1 ZINC000095601357 JK Annotated Bother O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000095601511 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000095601512 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000095601513 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000095601514 JK Annotated Anodyne CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000095601778 JK Annotated Anodyne CCCCCCCCCCN(N=O)c1ccc([N+](=O)[O-])c(N(CCCCCCCCCC)N=O)c1 ZINC000095601846 JK Annotated Mild COc1cc(OCCN(C(C)C)C(C)C)c2c(c1)C(C)(C)[C@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000095601877 JK Annotated Anodyne Cc1cccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 ZINC000095601970 JK Annotated Bother Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccc(F)cc3)nc12 ZINC000095602019 JK Annotated Anodyne N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000095602099 JK Annotated Reactive N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000095602100 JK Annotated Reactive Nc1n[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095602176 JK Annotated Anodyne Nc1n[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095602177 JK Annotated Anodyne CC(=O)Oc1ccc2ccccc2c1/N=N/c1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 ZINC000095602255 JK Annotated Clean CC(=O)Oc1c(/N=N/c2ccc(C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)cc2)ccc2ccccc12 ZINC000095602269 JK Annotated Clean O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occ(Cl)c3ccc2n1Cc1cc(F)ccc1F ZINC000095602279 JK Annotated Anodyne Cc1ccc(N2CCN([C@H](C(=O)Nc3c(C)cccc3C)c3cc4ccccc4o3)CC2)cc1 ZINC000095602298 JK Annotated Anodyne Cc1ccc(N2CCN([C@@H](C(=O)Nc3c(C)cccc3C)c3cc4ccccc4o3)CC2)cc1 ZINC000095602299 JK Annotated Anodyne COc1cc(Cl)c(Nc2nc(Br)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 ZINC000095602490 JK Annotated Anodyne O=C(O)c1cccc([C@H]2CCCN2C(=O)[C@@H](Nc2ccccc2F)c2cc3ccccc3s2)c1 ZINC000095602528 JK Annotated Anodyne O=C(O)c1cccc([C@H]2CCCN2C(=O)[C@H](Nc2ccccc2F)c2cc3ccccc3s2)c1 ZINC000095602529 JK Annotated Anodyne O=C(O)c1cccc([C@@H]2CCCN2C(=O)[C@@H](Nc2ccccc2F)c2cc3ccccc3s2)c1 ZINC000095602530 JK Annotated Anodyne O=C(O)c1cccc([C@@H]2CCCN2C(=O)[C@H](Nc2ccccc2F)c2cc3ccccc3s2)c1 ZINC000095602531 JK Annotated Anodyne Cc1[nH]nc2c1-c1sc(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)OC(C)(C)C ZINC000095602548 JK Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)[nH]2)=N1 ZINC000095602550 JK Annotated Anodyne CC(C)N(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000095602633 JK Annotated Anodyne COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095602677 JK Annotated Reactive COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000095602678 JK Annotated Reactive CC(=O)N1Cc2cc(C(=O)NCc3cccc(F)c3)nc(-c3cccc(C4=CCCC4)c3)c2[C@H]1CCO ZINC000095602742 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1 ZINC000095602744 JK Annotated Anodyne COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4ccc(OC)nc4)ccc3n2C)c1 ZINC000095602768 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)cccc3c2)c(CN=C(N)N)c1 ZINC000095602866 JK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccc(Cl)cc4)Oc4[nH]nc(N)c43)c2c1 ZINC000095602942 JK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccc(Cl)cc4)Oc4[nH]nc(N)c43)c2c1 ZINC000095602943 JK Annotated Anodyne Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(N)nc(=S)[nH]c3O2)cc1 ZINC000095602979 JK Annotated Anodyne Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(N)nc(=S)[nH]c3O2)cc1 ZINC000095602980 JK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)c1cccs1 ZINC000095603000 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095603034 JK Annotated Anodyne COC(=O)c1ccc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)cccc3c2)c(CN(C)C)c1 ZINC000095603267 JK Annotated Anodyne O=C(O)c1ccc([C@H]2CCCN2C(=O)[C@@H](Nc2ccccc2F)c2cc3ccccc3s2)cc1 ZINC000095603301 JK Annotated Anodyne O=C(O)c1ccc([C@H]2CCCN2C(=O)[C@H](Nc2ccccc2F)c2cc3ccccc3s2)cc1 ZINC000095603302 JK Annotated Anodyne O=C(O)c1ccc([C@@H]2CCCN2C(=O)[C@@H](Nc2ccccc2F)c2cc3ccccc3s2)cc1 ZINC000095603303 JK Annotated Anodyne O=C(O)c1ccc([C@@H]2CCCN2C(=O)[C@H](Nc2ccccc2F)c2cc3ccccc3s2)cc1 ZINC000095603304 JK Annotated Anodyne COc1cc(OCCN2CCOCC2)c2c(c1)C(C)(C)[C@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000095603326 JK Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccsc2)cc1OC ZINC000095603402 JK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccc(Cl)cc4)Oc4[nH]c(=S)nc(N)c43)c2c1 ZINC000095603549 JK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccc(Cl)cc4)Oc4[nH]c(=S)nc(N)c43)c2c1 ZINC000095603550 JK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCC)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095603759 JK Annotated Mild Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(nc(=O)[nH]c3N)O2)cc1 ZINC000095603839 JK Annotated Anodyne Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(nc(=O)[nH]c3N)O2)cc1 ZINC000095603840 JK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095603856 JK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095603857 JK Annotated Anodyne Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccccc34)c3c(N)nc(=S)[nH]c3O2)cc1 ZINC000095603868 JK Annotated Anodyne Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccccc34)c3c(N)nc(=S)[nH]c3O2)cc1 ZINC000095603869 JK Annotated Anodyne CCCCCCCCCN(N=O)c1ccc([N+](=O)[O-])c(N(CCCCCCCCC)N=O)c1 ZINC000095603881 JK Annotated Mild CCCCCCCCCN(N=O)c1cccc(N(CCCCCCCCC)N=O)c1[N+](=O)[O-] ZINC000095604187 JK Annotated Mild Cc1cc(Br)cn2c(Cc3ccsc3)c(-c3cccc(Br)c3)nc12 ZINC000095604281 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095604305 JK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccccc1)O2 ZINC000095604426 JK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccccc1)O2 ZINC000095604427 JK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@H]3CC(C)=O)cc2)cn1 ZINC000095604592 JK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@@H]3CC(C)=O)cc2)cn1 ZINC000095604593 JK Annotated Anodyne Cc1cc(Br)c(Oc2cc(Nc3ccc(C#N)cc3)n[nH]c2=O)c(Br)c1 ZINC000095604674 JK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4[nH]c(=S)nc(N)c43)c2c1 ZINC000095604766 JK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4[nH]c(=S)nc(N)c43)c2c1 ZINC000095604767 JK Annotated Anodyne CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3cccc(C(=O)O)c3)c(C)c2)cc1C)CC ZINC000095604781 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1 ZINC000095604883 JK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1 ZINC000095604884 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(-c2cccnc2)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095604968 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(-c2cccnc2)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095604969 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095605137 JK Annotated Anodyne CC1=CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(O)c(CC(=O)O)cc1O ZINC000095605220 JK Annotated Reactive N#Cc1c(N)c(C#N)c(-c2ccc(Br)cc2)c2c1C[C@@H](c1ccc(Cl)cc1)S2 ZINC000095605240 JK Annotated Mild N#Cc1c(N)c(C#N)c(-c2ccc(Br)cc2)c2c1C[C@H](c1ccc(Cl)cc1)S2 ZINC000095605241 JK Annotated Mild CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095605267 JK Annotated Anodyne C#C/C=C\CCCCCCCCCC/C=C\CCCCCCC[C@H](O)[C@@H](O)[C@H](O)C#CC#CCO ZINC000095605287 JK Annotated Mild Cc1cc(Br)c(Oc2cc(Nc3ccc(C#N)cc3)nnc2Cl)c(Br)c1 ZINC000095605313 JK Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095605389 JK Annotated Anodyne C[C@@H](c1ncnc(Cl)c1F)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000095605589 JK Annotated Anodyne C[C@H](c1ncnc(Cl)c1F)N1CCC(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000095605590 JK Annotated Anodyne CCCCCCCCCCN(N=O)c1cccc(N(CCCCCCCCCC)N=O)c1[N+](=O)[O-] ZINC000095605593 JK Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000095605597 JK Annotated Mild Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(N)n[nH]c3O2)cc1 ZINC000095605608 JK Annotated Anodyne Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(N)n[nH]c3O2)cc1 ZINC000095605609 JK Annotated Anodyne C#CCOCc1ccc(C(=O)c2ccc(-c3ccc4c(c3)SC(=N)N3CCCN=C43)cc2)cc1 ZINC000095605804 JK Annotated Mild O=C([C@H](Nc1ccccc1F)c1ccc(-c2cncnc2)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095605875 JK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(-c2cncnc2)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000095605876 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(-c2cncnc2)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095605877 JK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(-c2cncnc2)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000095605878 JK Annotated Anodyne CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(C(=O)O)cc3)c(C)c2)cc1C)CC ZINC000095605890 JK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccc(Cl)cc4)Oc4[nH]c(=O)nc(N)c43)c2c1 ZINC000095605893 JK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccc(Cl)cc4)Oc4[nH]c(=O)nc(N)c43)c2c1 ZINC000095605894 JK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC(F)(F)F)cc1 ZINC000095607701 JK Annotated Anodyne Cc1cccc(-c2ccc(F)cc2)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095608631 JK Annotated Mild CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CC4=NCCC4=C(C)C)C3=CC[C@H]2[C@H]1O ZINC000095615496 JK Annotated Anodyne Oc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000095615565 JK Annotated Anodyne NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2)on1 ZINC000095616225 JK Annotated Anodyne NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2)on1 ZINC000095616226 JK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC1CCC(CN(C)C)CC1 ZINC000095616593 JK Annotated Anodyne in-vitro CC(C)=C[C@H](O)C[C@]1(C)O[C@H]1[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000095619404 JK Annotated Anodyne in-man endogenous CC(C)=C[C@H](O)C[C@]1(C)O[C@H]1[C@H]1CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000095619405 JK Annotated Anodyne in-man endogenous CC(C)=C[C@H](O)C[C@]1(C)O[C@H]1[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000095619406 JK Annotated Anodyne in-man endogenous CC(C)=C[C@H](O)C[C@]1(C)O[C@H]1[C@H]1CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000095619407 JK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000095619530 JK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C ZINC000095619531 JK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C ZINC000095619532 JK Annotated Anodyne in-man endogenous C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000095619533 JK Annotated Anodyne in-man endogenous C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000095619534 JK Annotated Anodyne in-man endogenous C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000095619535 JK Annotated Anodyne in-man endogenous C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@@]1(C)O ZINC000095619972 JK Annotated Mild in-man C[C@@H]1CC[C@]2(C(=O)O)CC[C@H]3C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@@]1(C)O ZINC000095619973 JK Annotated Mild in-man C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000095619974 JK Annotated Mild in-man C[C@@H]1CC[C@]2(C(=O)O)CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000095619975 JK Annotated Mild in-man C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]3C=CC4=C5C[C@]6(C)C[C@@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000095620002 JK Annotated Anodyne in-man endogenous C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C3C[C@]4(C)C[C@@H](OC4=O)[C@]3(C)CC[C@]21C ZINC000095620003 JK Annotated Anodyne in-man endogenous C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C=CC2=C3C[C@]4(C)C[C@@H](OC4=O)[C@]3(C)CC[C@]21C ZINC000095620004 JK Annotated Anodyne in-man endogenous C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=CC2=C3C[C@]4(C)C[C@@H](OC4=O)[C@]3(C)CC[C@]21C ZINC000095620005 JK Annotated Anodyne in-man endogenous CC1(C)CCC(=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000095620008 JK Annotated Anodyne in-man CC1(C)CCC(=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000095620009 JK Annotated Anodyne in-man endogenous CC1(C)CCC(=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000095620010 JK Annotated Anodyne in-man CC1(C)CCC(=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000095620011 JK Annotated Anodyne in-man endogenous C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CCC2=C(CC[C@H]4C(C)(C)[C@@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000095627959 JK Annotated Anodyne in-vitro CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000095628047 JK Annotated Anodyne in-vitro C/C1=C/CC[C@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@H]2[C@@H]2[C@H](CC1)C2(C)C ZINC000095628862 JK Annotated Anodyne in-man CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O ZINC000095635624 JK Annotated Mild in-vitro CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O ZINC000095635673 JK Annotated Reactive in-vitro CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H](O)c2ccccc2[C@H]1O ZINC000095635733 JK Annotated Anodyne in-vitro CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](O)c2ccccc2[C@H]1O ZINC000095635734 JK Annotated Anodyne in-vitro C[C@H](CCO[P@@](=O)(O)OP(=O)(O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000095635755 JK Annotated Anodyne in-vitro C[C@@H](CCO[P@@](=O)(O)OP(=O)(O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000095635756 JK Annotated Anodyne in-vitro C[C@H](CCO[P@@](=O)(O)OP(=O)(O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000095635757 JK Annotated Anodyne in-vitro C[C@@H](CCO[P@@](=O)(O)OP(=O)(O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000095635758 JK Annotated Anodyne in-vitro CC(C)[C@H]1C(=O)N[C@@H](c2cccc(Cl)c2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C ZINC000095661641 JK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095662175 JK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095662177 JK Annotated Mild CCN1Cc2cc(C(=O)Nc3nccs3)nc(-c3cccc(C4=CCCC4)c3)c2[C@H]1CCO ZINC000095662253 JK Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@H](c2cccc(Cl)c2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C ZINC000095662264 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095663551 JK Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1c1nc(-c2ccccc2)cs1 ZINC000095663913 JK Annotated Mild CC(C)[C@H]1C(=O)N[C@H](c2cccc(Cl)c2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C ZINC000095664059 JK Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@@H](c2cccc(Cl)c2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C ZINC000095664236 JK Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@@H](c2cccc(Cl)c2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C ZINC000095664319 JK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](c2cccc(Cl)c2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C ZINC000095664583 JK Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095664716 JK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(Cc2ccccc2)C1 ZINC000095664905 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095665012 JK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@H]1CCO ZINC000095665228 JK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@H]1CCO ZINC000095665230 JK Annotated Mild C=CCOc1ccc(CN2CCC(CCOc3ccccc3)(C(=O)N3CCCC3)CC2)cc1Cl ZINC000095665451 JK Annotated Mild CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccccc3)cccc2C1=O ZINC000095665577 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCC2)cc1 ZINC000095668781 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCC2)cc1 ZINC000095668794 JK Annotated Anodyne C/C(=C/CC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000095670157 JK Annotated Anodyne FC(F)(F)c1cccc(N/N=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1 ZINC000095719297 JK Annotated Mild O=C(N[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 ZINC000095748948 JK Annotated Anodyne O=C(N[C@H](C(=O)O)c1cccc(OC(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 ZINC000095748949 JK Annotated Anodyne O=C(N[C@H](CCc1c(F)c(F)c(F)c(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749204 JK Annotated Anodyne O=C(N[C@H](CCc1cccc(Cl)c1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749210 JK Annotated Anodyne O=C(N[C@@H](CCc1cccc(Cl)c1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749211 JK Annotated Anodyne O=C(N[C@H](CCc1cc(Cl)ccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749219 JK Annotated Anodyne O=C(N[C@@H](CCc1cc(Cl)ccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749220 JK Annotated Anodyne O=C(N[C@H](CCc1c(Cl)cccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749222 JK Annotated Anodyne O=C(N[C@@H](CCc1c(Cl)cccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749223 JK Annotated Anodyne O=C(NC[C@H](Cc1ccccc1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749333 JK Annotated Anodyne O=C(NC[C@@H](Cc1ccccc1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749334 JK Annotated Anodyne O=C(NC[C@H](Cc1ccccc1OC(F)(F)F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749355 JK Annotated Anodyne O=C(NC[C@@H](Cc1ccccc1OC(F)(F)F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749356 JK Annotated Anodyne O=C(NC[C@H](Cc1cccc(Cl)c1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750542 JK Annotated Anodyne O=C(NC[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750543 JK Annotated Anodyne O=C(NC[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750550 JK Annotated Anodyne O=C(NC[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750552 JK Annotated Anodyne COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cs2)c1 ZINC000095755315 JK Annotated Anodyne Cc1onc(CN2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000095755469 JK Annotated Bother CO/N=C(\C(=O)O)c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)sc1Cl ZINC000095756148 JK Annotated Mild FC(F)(F)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Br ZINC000095761474 JK Annotated Anodyne CCC(=O)N(c1ccc(OC)c(Cl)c1)[C@H](C(=O)NCCc1ccccc1)c1cccs1 ZINC000095771686 JK Annotated Anodyne CCC(=O)N(c1ccc(OC)c(Cl)c1)[C@@H](C(=O)NCCc1ccccc1)c1cccs1 ZINC000095771687 JK Annotated Anodyne COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000095771723 JK Annotated Clean CCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@@H]2c1ccccc1 ZINC000095771875 JK Annotated Anodyne CCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccccc1 ZINC000095771876 JK Annotated Anodyne CCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@@H]2c1ccccc1 ZINC000095783352 JK Annotated Anodyne CCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@H]2c1ccccc1 ZINC000095783354 JK Annotated Anodyne CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@@H]2c1ccccc1 ZINC000095783380 JK Annotated Anodyne CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccccc1 ZINC000095783384 JK Annotated Anodyne CCC#CCN(Cc1ccccc1Br)[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000095783753 JK Annotated Mild O=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCCCCO)O1 ZINC000095784141 JK Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCC1 ZINC000095784600 JK Annotated Anodyne O=C(C1=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCC1 ZINC000095784607 JK Annotated Anodyne O=C(C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCC1 ZINC000095784625 JK Annotated Anodyne C=C[C@H]1C=C(C)C/C(=N\P(=O)(Oc2ccccc2)Oc2ccccc2)N1Cc1ccc(OC)cc1 ZINC000095784899 JK Annotated Mild C=C[C@@H]1C=C(C)C/C(=N\P(=O)(Oc2ccccc2)Oc2ccccc2)N1Cc1ccc(OC)cc1 ZINC000095784902 JK Annotated Mild COc1ccc(CN2/C(=N/P(=O)(Oc3ccccc3)Oc3ccccc3)CC(C)=C[C@H]2C)cc1 ZINC000095784912 JK Annotated Mild COc1ccc(CN2/C(=N/P(=O)(Oc3ccccc3)Oc3ccccc3)CC(C)=C[C@@H]2C)cc1 ZINC000095784915 JK Annotated Mild O=[N+]([O-])c1ccc([C@@H](O)C[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000095785113 JK Annotated Bother O=[N+]([O-])c1ccc([C@@H](O)C[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000095785116 JK Annotated Bother O=[N+]([O-])c1ccc([C@H](O)C[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000095785120 JK Annotated Bother O=[N+]([O-])c1ccc([C@H](O)C[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000095785123 JK Annotated Bother CO[C@@]1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c2ccccc2)[C@H](Cc2ccccc2)O1 ZINC000095785140 JK Annotated Anodyne CO[C@]1(C)CN(Cc2ccccc2Br)[C@H](/C=C/c2ccccc2)[C@H](Cc2ccccc2)O1 ZINC000095785141 JK Annotated Anodyne O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCCCCCC1 ZINC000095785241 JK Annotated Anodyne O=C(C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCC1 ZINC000095785250 JK Annotated Anodyne CC(C)c1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(C#CC3CCCCC3)cc2)nn1 ZINC000095793606 JK Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(Cc2ccccc2)C1 ZINC000095793844 JK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CCN(CC2CC2)CC1 ZINC000095796535 JK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CCN(CC2CC2)CC1 ZINC000095796572 JK Annotated Anodyne CC(C)c1cn([C@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(C#CC3CCCCC3)cc2)nn1 ZINC000095796595 JK Annotated Mild CCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867488 JK Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867489 JK Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCc3cccc(F)c3)nc(-c3cccc(C4=CCCC4)c3)c2[C@@H]1CCO ZINC000095868107 JK Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CNC2CCCC2)N1CCC(F)(F)F ZINC000095871986 JK Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CNC2CCCC2)N1CCC(F)(F)F ZINC000095872019 JK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(NC(=O)c3ccccc3)cccc2C1=O ZINC000095872357 JK Annotated Anodyne CC(C)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(C#N)cccc2C1=O ZINC000095872371 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C(F)(F)F)c1[C@H]2c1cc(F)ccc1OC(F)(F)F ZINC000095872427 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C(F)(F)F)c1[C@@H]2c1cc(F)ccc1OC(F)(F)F ZINC000095872428 JK Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095873125 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095873126 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095873354 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095873355 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095873356 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873357 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095873358 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873359 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873360 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873361 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095873562 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095873563 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095873564 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095873565 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095873566 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873627 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873628 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095873629 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095873630 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095873631 JK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095873632 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095873721 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095873722 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095873723 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5C)cc4)[C@@H]3C2)cc1 ZINC000095873758 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5C)cc4)[C@@H]3C2)cc1 ZINC000095873759 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5C)cc4)[C@@H]3C2)cc1 ZINC000095873760 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5C)cc4)[C@H]3C2)cc1 ZINC000095873761 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccccc5C)cc4)[C@@H]3C2)cc1 ZINC000095873762 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccccc4C)cc2)[C@@H]3CO)cc1 ZINC000095873763 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4ccccc4C)cc2)[C@@H]3CO)cc1 ZINC000095873764 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5C)cc4)[C@H]3C2)cc1 ZINC000095873765 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873968 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873969 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873970 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873971 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873972 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873973 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873974 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873975 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095874138 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5cccc(F)c5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874139 JK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095874140 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5cccc(F)c5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874141 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095874142 JK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1 ZINC000095874143 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874144 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874145 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874146 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874147 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874148 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095874149 JK Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874150 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874491 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874492 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874493 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095874494 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874495 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095874496 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095874497 JK Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095874498 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095875043 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 ZINC000095875044 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095875045 JK Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095875046 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875063 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095875064 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095875065 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875066 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095875067 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095875068 JK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095875069 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095875455 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095875456 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095875457 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095875458 JK Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095875459 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)cc1 ZINC000095875491 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCCC5)cc4)[C@H]3C2)cc1 ZINC000095875492 JK Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCCC4)cc2)[C@@H]3CO)cc1 ZINC000095875493 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095877230 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095877231 JK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095877232 JK Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO ZINC000095878009 JK Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@H]1CO ZINC000095878010 JK Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO ZINC000095878495 JK Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@H]1CO ZINC000095878496 JK Annotated Anodyne CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO ZINC000095878859 JK Annotated Clean CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@@]54C)CC3=CC[C@@H]12 ZINC000095889797 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000095889798 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@H]12 ZINC000095889802 JK Annotated Anodyne C=C1CCC[C@]2(C)C[C@@]3([C@@]45C[C@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000095889806 JK Annotated Mild C=C1CCC[C@@]2(C)C[C@@]3([C@@]45C[C@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000095889807 JK Annotated Mild C=C1CCC[C@]2(C)C[C@@]3([C@]45C[C@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000095889808 JK Annotated Mild C=C1CCC[C@@]2(C)C[C@@]3([C@]45C[C@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000095889809 JK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000095889814 JK Annotated Mild CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000095889815 JK Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1c1nc(-c2ccccc2)cs1 ZINC000095897873 JK Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@@H](CO)N1c1nc(-c2ccccc2)cs1 ZINC000095897874 JK Annotated Mild CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000095909175 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2C=C[C@]24C[C@@]23[C@@H](O)C[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]42)C1(C)C ZINC000095909183 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000095909287 JK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]56OO[C@@H](C[C@H]4[C@@]3(C)CC[C@]12C)O6 ZINC000095909334 JK Annotated Reactive in-vitro biogenic C=C(C)[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000095909365 JK Annotated Mild in-vitro biogenic CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000095909455 JK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000095909456 JK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@@H](C)[C@H]1C ZINC000095909468 JK Annotated Anodyne in-vitro biogenic C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000095909546 JK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)cc1CC2 ZINC000095909830 JK Annotated Anodyne in-vitro biogenic CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC=C1[C@@H]2CC[C@@]2(C)[C@H]([C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)CC[C@]12C ZINC000095909853 JK Annotated Anodyne C=C/C(C)=C/C[C@@H]1C(C(=O)OCc2ccc(Br)cc2)=CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000095909866 JK Annotated Anodyne in-vitro biogenic Oc1cc(O)cc(/C=C/c2ccc3c(c2)O[C@@H]2c4cc(O)c(O)cc4-c4c(O)cc(O)cc4[C@H]2O3)c1 ZINC000095910037 JK Annotated Clean in-vitro biogenic C=C(C)[C@H]1C=C[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O ZINC000095910069 JK Annotated Mild in-vitro biogenic CC(C)(O)C1=CC[C@@H]([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C1=O ZINC000095910270 JK Annotated Anodyne C=C(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000095910277 JK Annotated Mild C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1 ZINC000095910423 JK Annotated Anodyne C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)CCC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000095910425 JK Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@H]1[C@@H]3C[C@@]2(C)C[C@@H]1c1c(c3c(C)cccc3oc1=O)O2 ZINC000095910492 JK Annotated Anodyne in-vitro biogenic CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@H](C[C@@H]4N3)C[C@@H](C)C[C@@H]6N(C)C5)C[C@H](C)C[C@H]21 ZINC000095910567 JK Annotated Anodyne in-vitro biogenic CC(=O)[C@H](C)CC[C@@]1(C(=O)O)C=C2C=C[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000095910674 JK Annotated Anodyne in-vitro biogenic CC[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@](C)(CO)[C@H](O)C[C@]45C)C[C@]3(C)CC[C@H]12 ZINC000095910694 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000095910696 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000095910697 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C=O ZINC000095910788 JK Annotated Mild in-vitro biogenic C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C(=O)[C@]3(CC[C@@]12C)[C@@H](O)C[C@@H]1C(C)(C)[C@H](O)CC[C@@]13C)C(=O)O ZINC000095910790 JK Annotated Anodyne in-vitro biogenic C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O)C(=O)O ZINC000095910795 JK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000095910843 JK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC[C@@]23O[C@@]24C=C[C@@]25C[C@@H](O)CC[C@]2(C)[C@]4(CC[C@]13C)OO5 ZINC000095911230 JK Annotated Reactive in-vitro biogenic C/C(=C\CC[C@H](C=O)[C@@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3)C(=O)O ZINC000095911244 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]34O[C@@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]4CC[C@@H]12 ZINC000095911320 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]34O[C@@H]3C[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]4CC[C@@H]12 ZINC000095911321 JK Annotated Anodyne in-vitro biogenic CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@]45CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@]4(CC[C@@H]32)O5)C1(C)C ZINC000095911333 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@@]45CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@]4(CC[C@@H]32)O5)C1(C)C ZINC000095911334 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@@]45O[C@@H]4C[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]5CC[C@@H]32)C1(C)C ZINC000095911335 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5CC[C@@]23O4)C1(C)C ZINC000095911336 JK Annotated Anodyne in-vitro biogenic C[C@H]1C=C2[C@@](C)(CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)[C@@H]2C[C@](C)(C(=O)O)CC[C@H]12 ZINC000095911400 JK Annotated Anodyne in-vitro biogenic C[C@H]1C=C2[C@@](C)(CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]23C)[C@@H]2C[C@](C)(C(=O)O)CC[C@H]12 ZINC000095911401 JK Annotated Anodyne in-vitro biogenic C=C1CCC[C@@]2(C)C[C@]3([C@@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12 ZINC000095911418 JK Annotated Mild in-vitro biogenic C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(C)C ZINC000095911497 JK Annotated Mild C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000095911580 JK Annotated Anodyne COC(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OC ZINC000095911679 JK Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/c4ccc(O)cc4O)ccc3[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000095911770 JK Annotated Anodyne in-vitro biogenic Oc1cc(O)cc([C@@H]2c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O[C@H]2c2ccc(O)cc2O)c1 ZINC000095911772 JK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000095911886 JK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@H]5[C@@H]5O[C@@H]5[C@]4(CC2=O)[C@@H]3C1 ZINC000095912043 JK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)[C@@H](O)CC[C@]6(C)[C@H]5[C@@H]5O[C@@H]5[C@]4(CC2=O)[C@@H]3C1 ZINC000095912044 JK Annotated Anodyne in-vitro biogenic C/C(=C\CC[C@@H](C)[C@]1(C)CC=C2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(=O)O ZINC000095912059 JK Annotated Anodyne C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C\c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O ZINC000095912109 JK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2CC[C@@]1(C)O ZINC000095912110 JK Annotated Mild in-vitro biogenic C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](C)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000095912116 JK Annotated Anodyne CC(C)[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]13 ZINC000095912125 JK Annotated Anodyne C[C@H]1[C@H](O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000095912180 JK Annotated Anodyne in-vitro biogenic CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=C[C@H]2[C@@H]3C[C@](C)(C(=O)O)C[C@H](O)[C@]3(C)CC[C@]21C ZINC000095912187 JK Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@]12C ZINC000095912312 JK Annotated Mild in-vitro biogenic C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O ZINC000095912384 JK Annotated Anodyne CCC[C@@H](c1c2c(c(OC(C)=O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2)[C@H](CC)C(=O)O ZINC000095912385 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@H]2[C@]1(C)CC3 ZINC000095912389 JK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CCC(C)(C)C[C@H]2[C@@H]1CC3 ZINC000095912453 JK Annotated Anodyne in-vitro biogenic CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000095912559 JK Annotated Anodyne CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000095912560 JK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)Oc1c2c(cc3c1-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)[C@@H](C)C3)OCO2 ZINC000095912567 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=CC2=C3[C@](C)(O)[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4 ZINC000095912652 JK Annotated Anodyne in-vitro biogenic CC1=CC[C@@](C)([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5C=C4)CC[C@]23C)OC1=O ZINC000095912720 JK Annotated Anodyne in-vitro biogenic CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@H]2C(=N1)C[C@@H]1C[C@@H](C)C[C@H]3[C@@H]1C[C@@H]2CN3C ZINC000095913339 JK Annotated Anodyne in-vitro biogenic C[C@@]12CC[C@@H]3[C@@](C)(C(=O)O)[C@@H](O)CC[C@]3(C)[C@@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000095913379 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(O)C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)O)[C@H]3CC[C@H]21 ZINC000095913380 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2C(=O)C=C3C[C@]4(C)CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@H]1O ZINC000095913387 JK Annotated Mild in-vitro biogenic CC1(C)[C@H]2C(=O)C=C3C[C@]4(C)CC[C@@H]5[C@@](C)(CO)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@H]1O ZINC000095913388 JK Annotated Mild in-vitro biogenic C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)CC3=CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]12 ZINC000095913393 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C/C=C/[C@](C)(O)CO)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000095913525 JK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=C(CC[C@H]32)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)C1(C)C ZINC000095913567 JK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3 ZINC000095913568 JK Annotated Anodyne in-vitro biogenic COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]2CC4)O1 ZINC000095913641 JK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095913650 JK Annotated Mild COC(=O)[C@@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000095913666 JK Annotated Anodyne CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(C)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000095913761 JK Annotated Anodyne in-vitro biogenic C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@@]1(O)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C)CO ZINC000095913803 JK Annotated Anodyne in-vitro biogenic CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000095913864 JK Annotated Reactive in-vitro biogenic CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000095913865 JK Annotated Reactive in-vitro biogenic CC(=O)O[C@H](C[C@H](C)[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@@H]1OC1(C)C ZINC000095913893 JK Annotated Anodyne CCCCCCCCCCC(=O)Oc1ccc2c(c1)O[C@@H](c1ccc(O)cc1)C(OC[C@H](O)CN)=C2 ZINC000095913949 JK Annotated Mild in-vitro biogenic CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000095913971 JK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)C=O)CC3=CC(=O)[C@@H]12 ZINC000095914106 JK Annotated Mild in-vitro biogenic CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000095914111 JK Annotated Mild in-vitro biogenic COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C)[C@@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000095914141 JK Annotated Mild in-vitro biogenic CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC(=O)[C@@H]12 ZINC000095914148 JK Annotated Mild in-vitro biogenic CC/C(C)=C\C[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(C)C(=O)[C@@]1(C(=O)[C@@H](C)CC)C(=O)C1=C2OC(C)(C)C=C1 ZINC000095914191 JK Annotated Mild in-vitro biogenic CC(C)=CC[C@@H]1C[C@]2(C)C(=O)[C@@](C(=O)C(C)C)(C(=O)C3=C2OC(C)(C)C=C3)[C@@]1(C)CC=C(C)C ZINC000095914192 JK Annotated Mild in-vitro biogenic CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@H]1O ZINC000095914194 JK Annotated Anodyne in-vitro biogenic CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@]23C(=O)O[C@@H]3[C@H]1O ZINC000095914196 JK Annotated Anodyne in-vitro biogenic CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23C[C@@H]1OC3=O ZINC000095914199 JK Annotated Anodyne in-vitro biogenic Cc1cc(O)ccc1[C@@H]1Oc2cc(O)ccc2[C@H]2[C@@H](c3cc(O)cc(O)c3)c3c(O)cc(O)cc3[C@H]21 ZINC000095914211 JK Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H]2[C@](C)(CC[C@H]1C)[C@H](O)C[C@@]1(C)[C@@]2(C)CC[C@@]2(C)C3=C(C[C@H]4O[C@]421)C(C)(C)[C@H](O)CC3 ZINC000095914290 JK Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](C)CC[C@]2(C)[C@H](O)C[C@]34O[C@@H]5CC6=C(CC[C@@H](O)C6(C)C)[C@](C)(CC[C@@]3(C)[C@H]12)[C@@]54C ZINC000095914291 JK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000095914317 JK Annotated Anodyne in-vitro biogenic COc1cc(O)c2c(c1)CCc1cc(Oc3c(CCc4cccc(O)c4)cc(O)cc3OC)ccc1-2 ZINC000095914343 JK Annotated Anodyne in-vitro biogenic COc1cc(O)c2c(c1)CCc1cc(Oc3c(OC)cc(O)c4c3CCc3cc(O)ccc3-4)ccc1-2 ZINC000095914344 JK Annotated Anodyne in-vitro biogenic CC(C)C1=CC(=O)[C@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000095914380 JK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@H]1CCC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000095914407 JK Annotated Anodyne in-vitro biogenic COC(=O)c1ccc([C@@H](C=C(C)C)c2c(OC)cc(O)c(C(=O)CCc3ccccc3)c2O)c(O)c1 ZINC000095914424 JK Annotated Anodyne in-vitro biogenic C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000095914433 JK Annotated Anodyne CO[C@@H]1C=C2[C@@H]3CC(C)(C)C(=O)C[C@@H]3[C@@H](C(=O)O)C[C@@H]2[C@]2(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000095914559 JK Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000095914582 JK Annotated Anodyne CC1=C[C@@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000095914583 JK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@@H]6C(C)(C)OC(=O)CC[C@@]67C[C@@]57CC[C@]34C)O2)OC1=O ZINC000095914585 JK Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)CCC[C@@H]5C6=C[C@@H](CC[C@]34C)OC6=CC(=O)OC5(C)C)O2)OC1=O ZINC000095914586 JK Annotated Anodyne in-vitro biogenic CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C(=O)O)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000095914917 JK Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC=C4[C@H]([C@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000095914919 JK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12CO ZINC000095914996 JK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12CO ZINC000095914997 JK Annotated Anodyne in-vitro biogenic CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000095915077 JK Annotated Anodyne in-vitro biogenic CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]23C)OC1=O ZINC000095915079 JK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC=C(C)C(=O)O4)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000095915080 JK Annotated Mild in-vitro biogenic C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@@H](C(=C)C)CC[C@]12C ZINC000095918582 JK Annotated Mild in-vitro biogenic C=C(CC/C=C(\C)C(=O)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C ZINC000095918583 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000095918585 JK Annotated Mild in-vitro biogenic C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@@H](CC)[C@](C)(CCC(=O)O)C3=C[C@@H]12 ZINC000095918589 JK Annotated Mild in-vitro biogenic C=C([C@@H]1CC=C(C)C(=O)O1)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@H]4CC[C@]12C ZINC000095918614 JK Annotated Mild CC(=O)OC[C@]1(C)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(COC(=O)C(C)C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000095918660 JK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3)C(C)C ZINC000095918826 JK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(C)C ZINC000095918827 JK Annotated Mild C[C@H]1[C@H]2[C@H]3CC[C@H]4[C@@](C)(CC[C@@]5(C)C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)CC[C@@]1(C)O ZINC000095918881 JK Annotated Anodyne in-vitro biogenic C=C1[C@@H](C)[C@@H]2[C@H]3CC[C@H]4[C@@](C)(CC[C@@]5(C)C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)C[C@H]1O ZINC000095918883 JK Annotated Mild in-vitro biogenic C[C@@H]1C(CO)=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@]3(C)C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]12 ZINC000095918884 JK Annotated Anodyne in-vitro biogenic CCN1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@@H]2[C@@H]3C[C@@H]4[C@H](C[C@@H]2N1)C[C@@H](C)C[C@@H]4N(C)C3 ZINC000095918965 JK Annotated Anodyne in-vitro biogenic CCN1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@H](C[C@@H]4N3)C[C@@H](C)C[C@@H]6N(C)C5)C[C@H](C)C[C@H]21 ZINC000095918966 JK Annotated Anodyne in-vitro biogenic Oc1cc(O)cc(/C=C\c2cc(O)c(O)cc2-c2c(O)cc(O)cc2/C=C\c2ccc(O)c(O)c2)c1 ZINC000095919037 JK Annotated Clean in-vitro biogenic Oc1cc(O)cc(/C=C\c2cc(O)c(O)cc2-c2c(O)cc(O)cc2/C=C/c2ccc(O)c(O)c2)c1 ZINC000095919038 JK Annotated Clean in-vitro biogenic CC1=C(C)C(=O)[C@@]2(CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2)[C@@](C)(O)C1=O ZINC000095919053 JK Annotated Mild in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000095919054 JK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCC[C@H](OC(C)=O)[C@@]1(OC(C)=O)C(=O)C=C[C@@H]1OC(C)=O ZINC000095919097 JK Annotated Mild in-vitro biogenic C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000095919167 JK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2[C@@H]1O)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000095919193 JK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)CO)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000095919205 JK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000095919206 JK Annotated Mild in-vitro biogenic CC1=C(O)C(=O)C=C2[C@@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000095919249 JK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]2(C)[C@@H]4CC[C@@]3(C)C1(C)C ZINC000095919259 JK Annotated Anodyne C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=C[C@H]12 ZINC000095919296 JK Annotated Mild in-vitro biogenic CC(C)=C1CC2=C(C(=O)[C@@H]3[C@H]4C(=O)C5=C(CC(=C(C)C)C(=O)C[C@H]5C)[C@@]4(C)[C@]23C)[C@@H](C)CC1=O ZINC000095919367 JK Annotated Mild in-vitro biogenic Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)O3)cc1 ZINC000095919373 JK Annotated Anodyne in-vitro biogenic C/C=C(C)/C=C/C=C\[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C ZINC000095920610 JK Annotated Anodyne FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000095920787 JK Annotated Anodyne O=C(O)c1ccccc1C(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1Cl ZINC000095920808 JK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccccc3C(F)(F)F)cc12 ZINC000095920809 JK Annotated Anodyne O=S(=O)(Nc1nc(O)c(Cc2ccc(Br)cc2)s1)c1cccc2ccccc12 ZINC000095920912 JK Annotated Anodyne CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnco2)n3C(=O)OC(C)(C)C)c(Cl)c1 ZINC000095920983 JK Annotated Anodyne CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C(=O)OC(C)(C)C)c(Cl)c1 ZINC000095920984 JK Annotated Anodyne CC1CCC(C(=O)N(c2ccc(Oc3ccccc3C(F)(F)F)cc2C(=O)O)C(C)C)CC1 ZINC000095921122 JK Annotated Anodyne CCCc1scc(-c2cn[nH]c2)c1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O ZINC000095921209 JK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000096014866 JK Annotated Anodyne CO[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000096014939 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](NC(=O)c1c(C)noc1C)[C@H](C)[C@@H](c1ccccc1)N2C(=O)NC(C)C ZINC000096018409 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](NCc1nccs1)[C@H](C)[C@@H](c1ccccc1)N2C(=O)NC(C)C ZINC000096018410 JK Annotated Anodyne COc1ccc(NC(=O)N2c3ccc(OC)cc3[C@@H](NCc3c[nH]cn3)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000096018414 JK Annotated Anodyne COc1ccc2c(c1)[C@@H](NC(=O)c1c(C)noc1C)[C@H](C)[C@@H](c1ccccc1)N2Cc1cccc(F)c1 ZINC000096018417 JK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNCc4ccccn4)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018451 JK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNCc4ccccc4)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018452 JK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNC4CCCCC4)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018457 JK Annotated Anodyne Cc1ccc(CNC[C@@]23CO[C@H](c4ccc(Cl)cc4)N2[C@@H](c2ccc(Cl)cc2)SC3)o1 ZINC000096018459 JK Annotated Anodyne O=C1N(Cc2ccccc2)c2ccccc2[C@@]12CCCc1sc(CCc3ccccc3)nc12 ZINC000096018463 JK Annotated Anodyne O=C1N(Cc2ccccc2)c2ccccc2[C@]12CCCc1sc(CCc3ccccc3)nc12 ZINC000096018464 JK Annotated Anodyne S=C(Nc1ccc(I)cc1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 ZINC000096019285 JK Annotated Anodyne S=C(Nc1ccc(I)cc1)O[C@H]1CCC12CCC(c1ccccc1)CC2 ZINC000096019286 JK Annotated Anodyne Cc1ccc(C2CCC3(CCC(=O)N3CCOC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000096019312 JK Annotated Anodyne O=C(Nc1ccc(Br)cc1)OCCN1C(=O)CCC12CCC(c1ccccc1)CC2 ZINC000096019317 JK Annotated Anodyne N#Cc1cccc(NC(=O)OCCN2C(=O)CCC23CCC(c2ccc(Cl)cc2)CC3)c1 ZINC000096019329 JK Annotated Anodyne COc1ccc(C2CCC3(CCC(=O)N3CCOC(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000096019338 JK Annotated Anodyne CCc1ccc(CCNC(=O)OCCCN2CCC3(CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000096019344 JK Annotated Anodyne COc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2cc(OC)cc(OC)c2)n3C)cc1 ZINC000096020779 JK Annotated Anodyne COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4ccc(OC)c(F)c4)ccc3n2C)c1 ZINC000096020781 JK Annotated Anodyne COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4ccc(SC)cc4)ccc3n2C)c1 ZINC000096020782 JK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1ccc(F)cc1)[C@@H](C)[C@H](c1ccccc1)O2 ZINC000096021187 JK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cccc(F)c1)[C@@H](C)[C@H](c1ccccc1)O2 ZINC000096021188 JK Annotated Anodyne Cc1ccccc1CN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(NCC(C)C)c2S1(=O)=O ZINC000096021189 JK Annotated Anodyne C[C@H]1CCCN(c2cccc3c2S(=O)(=O)N(Cc2ccc(F)cc2)[C@@H](C)[C@H](c2ccccc2)O3)C1 ZINC000096021193 JK Annotated Anodyne Cc1ccccc1CN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(N3CCCC3)c2S1(=O)=O ZINC000096021197 JK Annotated Anodyne Cc1ccccc1CN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(N3CCC[C@H](C)C3)c2S1(=O)=O ZINC000096021198 JK Annotated Anodyne C[C@H]1CCCN(c2cccc3c2S(=O)(=O)N(Cc2cccc(F)c2)[C@@H](C)[C@H](c2ccccc2)O3)C1 ZINC000096021202 JK Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(SC)c(C)c3)cccc2O1 ZINC000096021312 JK Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(SC)c(C)c3)cccc2O1 ZINC000096021313 JK Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(cccc2Sc2ccc(SC)cc2)O1 ZINC000096021316 JK Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(cccc2Sc2ccc(SC)cc2)O1 ZINC000096021317 JK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(OC)cc3)cccc2O1 ZINC000096021332 JK Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(OC)cc3)cccc2O1 ZINC000096021333 JK Annotated Anodyne C#CCN1C[C@H](COc2ccccc2)Oc2cccc(Oc3ccc(C(C)C)cc3)c2S1(=O)=O ZINC000096021334 JK Annotated Anodyne C#CCN1C[C@@H](COc2ccccc2)Oc2cccc(Oc3ccc(C(C)C)cc3)c2S1(=O)=O ZINC000096021335 JK Annotated Anodyne C#CCN1C[C@@H](COCCCC)Oc2cccc(Oc3ccc(C(C)(C)C)c(C)c3)c2S1(=O)=O ZINC000096021354 JK Annotated Anodyne C#CCN1C[C@H](COCCCC)Oc2cccc(Oc3ccc(C(C)(C)C)c(C)c3)c2S1(=O)=O ZINC000096021355 JK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1N5C3 ZINC000096023779 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 ZINC000096085350 JK Annotated Reactive in-vitro CC(C)=CCC/C(C)=C/CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 ZINC000096085351 JK Annotated Reactive in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CCC=C(C)C)[C@@H]1Cc1cc(C(=O)O)ccc1O ZINC000096085356 JK Annotated Reactive in-vitro C=C(C)[C@@H]1CCC(=C)[C@]2(O)CC[C@]3(C)[C@H](CC(C)C)c4c(O)c(C=O)c(O)c(C=O)c4O[C@H]3[C@H]12 ZINC000096085426 JK Annotated Mild in-vitro C=C1CCC(=C(C)C)[C@H]2[C@@H]3Oc4c(C=O)c(O)c(C=O)c(O)c4[C@@H](CC(C)C)[C@@]3(C)CC[C@@]12O ZINC000096085428 JK Annotated Mild in-vitro C=C1C[C@H](O)[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@@H]1C ZINC000096085479 JK Annotated Mild in-vitro CC1=CC[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)OC(=O)C=C[C@@]56C[C@@]46CC[C@]23C)OC1=O ZINC000096085500 JK Annotated Anodyne in-vitro CC(C)[C@@H](C)[C@@H](C)C[C@](C)(O)C1=CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096085519 JK Annotated Anodyne in-vitro CC(C)[C@H](C)[C@@H](C)C[C@](C)(O)C1=CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096085520 JK Annotated Anodyne in-vitro CC(C)[C@@H](C)[C@H](C)C[C@](C)(O)C1=CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096085521 JK Annotated Anodyne in-vitro CC(C)[C@H](C)[C@H](C)C[C@](C)(O)C1=CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096085522 JK Annotated Anodyne in-vitro CC(=O)N1CCCC2=C(C[C@@H]3CCC[C@H](CC4=C5CCCN(C(C)=O)[C@H]5C[C@@H](C)C4)N3)C[C@H](C)C[C@@H]21 ZINC000096085638 JK Annotated Anodyne in-vitro C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@]1(C)CCC(=O)OC ZINC000096085798 JK Annotated Mild in-vitro CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000096086044 JK Annotated Mild in-vitro COC(=O)[C@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000096086095 JK Annotated Anodyne in-vitro CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000096086201 JK Annotated Anodyne in-vitro CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]23C)CO1 ZINC000096086225 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)OC2)[C@@]1(C)C=C3 ZINC000096086226 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000096086230 JK Annotated Anodyne in-vitro CC1=CC(=O)[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]45C[C@@]24[C@@H]1C[C@H]1C(C)(C)OC(=C(C(C)C)C3=O)[C@]14O5 ZINC000096086237 JK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086297 JK Annotated Anodyne in-vitro CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086298 JK Annotated Anodyne in-vitro C=C(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086299 JK Annotated Mild in-vitro C=C(C)[C@](C)(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086300 JK Annotated Mild in-vitro C=C(C)[C@H](C)[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086301 JK Annotated Mild in-vitro C=C(C)[C@H](C)[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086302 JK Annotated Mild in-vitro C=C(C)[C@@H](C)[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086303 JK Annotated Mild in-vitro C=C(C)[C@@H](C)[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096086304 JK Annotated Mild in-vitro C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096086367 JK Annotated Mild in-vitro CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]23C)O1 ZINC000096086409 JK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H](C(=C)C)OC(=O)C[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000096086445 JK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC[C@@]4(CC[C@](C)(CO)C[C@H]42)[C@H](O)C[C@]31C ZINC000096086467 JK Annotated Anodyne in-vitro CCC(CC)S(=O)(=O)c1cccc(-c2nnc(SCCN(C)C)n2C2CCCCCC2)c1 ZINC000096142457 JK Annotated Anodyne O=C(CCc1nc(CCc2ccccc2)c(CCCO)s1)CSCCCc1ccccc1 ZINC000096142538 JK Annotated Anodyne O=CCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 ZINC000096142539 JK Annotated Mild NC(=O)CCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 ZINC000096142540 JK Annotated Anodyne NC(=O)CCc1sc(NC(=O)CSCCCc2ccccc2)nc1/C=C/c1ccccc1 ZINC000096142542 JK Annotated Anodyne CC(=O)OCc1nc(CCC(=O)CSCCCc2ccccc2)sc1CCc1ccccc1 ZINC000096142544 JK Annotated Anodyne CN(C)CCCn1c(-c2c[nH]nc2-c2ccccc2)nc2cc(-c3ccc(C(=O)O)cc3)ccc21 ZINC000096142659 JK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3CCCCS(=O)(=O)O)ccc21 ZINC000096142721 JK Annotated Anodyne O=S(=O)(O)CCCC[n+]1c(/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)ccc2ccccc21 ZINC000096142724 JK Annotated Clean N#Cc1ccc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(CCC4CC4)cc23)nc1 ZINC000096167604 JK Annotated Mild Cc1cc(F)ccc1-c1cc2nnc(Nc3ccc(C(=O)CCCN4CCCC4)o3)nc2cc1C ZINC000096167777 JK Annotated Anodyne O=C(CNC1CCCC1)N[C@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167937 JK Annotated Anodyne O=C(CNC1CCCC1)N[C@@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167938 JK Annotated Anodyne O=C(CNC1CCCCC1)N[C@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167939 JK Annotated Anodyne O=C(CNC1CCCCC1)N[C@@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167940 JK Annotated Anodyne CC[C@@H](C)NCC(=O)N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167941 JK Annotated Anodyne CC[C@H](C)NCC(=O)N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167942 JK Annotated Anodyne CC[C@@H](C)NCC(=O)N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167943 JK Annotated Anodyne CC[C@H](C)NCC(=O)N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167944 JK Annotated Anodyne CC(C)CNCC(=O)N[C@@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167945 JK Annotated Anodyne CC(C)CNCC(=O)N[C@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167946 JK Annotated Anodyne COc1ccc([C@H](Cc2cccc(-c3ccc(C(F)(F)F)cc3Cl)c2)c2cn(C)c(N)n2)cc1 ZINC000096168397 JK Annotated Anodyne COc1ccc([C@@H](Cc2cccc(-c3ccc(C(F)(F)F)cc3Cl)c2)c2cn(C)c(N)n2)cc1 ZINC000096168398 JK Annotated Anodyne COc1ccc([C@@H](Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2[C@H](O)c2ccccc2)cc1 ZINC000096168408 JK Annotated Anodyne COc1ccc([C@H](Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2[C@H](O)c2ccccc2)cc1 ZINC000096168409 JK Annotated Anodyne COc1ccc([C@@H](Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2[C@@H](O)c2ccccc2)cc1 ZINC000096168410 JK Annotated Anodyne COc1ccc([C@H](Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2[C@@H](O)c2ccccc2)cc1 ZINC000096168411 JK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)CC(C)C ZINC000096168504 JK Annotated Anodyne CCOC[C@@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C1CCCCC1 ZINC000096168505 JK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O)CC(C)C ZINC000096168509 JK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1)CC(C)C ZINC000096168510 JK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1)CC(C)C ZINC000096168515 JK Annotated Anodyne c1ccc(Cc2ccc3oc(-c4nccnc4OC4CN(c5ccc6ccccc6n5)C4)cc3c2)cc1 ZINC000096168823 JK Annotated Anodyne C/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169115 JK Annotated Reactive COCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)nn12 ZINC000096169739 JK Annotated Anodyne CCOc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)nc12 ZINC000096169750 JK Annotated Anodyne COc1ncc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12 ZINC000096169783 JK Annotated Anodyne CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169822 JK Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12 ZINC000096169837 JK Annotated Anodyne FC(F)COc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169877 JK Annotated Anodyne CC(C)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169879 JK Annotated Anodyne FC(F)COc1ccc(C(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169884 JK Annotated Anodyne CN(C)CCCCCCCC(=O)Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000096169933 JK Annotated Anodyne CN(C)CCCCCC(=O)Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000096169935 JK Annotated Anodyne O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(Cl)nc1 ZINC000096170094 JK Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(-c2cnco2)cc1 ZINC000096170137 JK Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc(N2CCCCC2)s1 ZINC000096170183 JK Annotated Anodyne O=C(NCc1cn(-c2ccccc2Cl)c2cc(Cl)ccc2c1=O)c1ccc(-c2cn[nH]c2)nc1 ZINC000096170194 JK Annotated Anodyne C/C(=N\Oc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1 ZINC000096170355 JK Annotated Mild C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170431 JK Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170434 JK Annotated Mild COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1 ZINC000096170435 JK Annotated Anodyne Cc1cn(-c2ccc(N[C@@H](c3ccc(C(=O)CCCC(=O)O)cc3)C3CC(F)(F)C3)cn2)cn1 ZINC000096170554 JK Annotated Anodyne Cc1cn(-c2ccc(N[C@H](c3ccc(C(=O)CCCC(=O)O)cc3)C3CC(F)(F)C3)cn2)cn1 ZINC000096170555 JK Annotated Anodyne CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 ZINC000096170638 JK Annotated Anodyne CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)C[C@@H]1COCC[C@H]1NC1CCCC1 ZINC000096170642 JK Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1NC1(C)CCCCC1 ZINC000096170654 JK Annotated Anodyne CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 ZINC000096170671 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 ZINC000096172093 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3cccnc3)c2c1 ZINC000096172095 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 ZINC000096172096 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3cc(F)cc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172097 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172099 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1 ZINC000096172107 JK Annotated Anodyne CC[C@H]1COC(c2ccc3c(C(=O)NCc4cncc(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 ZINC000096172108 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 ZINC000096172121 JK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN(C)C)n(Cc3ccccn3)c2c1 ZINC000096172125 JK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c([C@H](C)O)n(Cc3ccccn3)c2c1 ZINC000096172132 JK Annotated Anodyne CC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 ZINC000096172133 JK Annotated Anodyne C/C(=N/O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 ZINC000096172134 JK Annotated Mild CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 ZINC000096172152 JK Annotated Anodyne CC(C)COc1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172153 JK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3cccnc3)c2c1 ZINC000096172158 JK Annotated Anodyne CC(C)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc21 ZINC000096172162 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1 ZINC000096172165 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccncc3)cc2n1Cc1ccccn1 ZINC000096172166 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCC3)cc2n1Cc1cccnc1 ZINC000096172167 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccn1 ZINC000096172177 JK Annotated Bother C=C(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 ZINC000096172192 JK Annotated Mild CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3cncnc3)cc2n1Cc1ccccn1 ZINC000096172193 JK Annotated Clean CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccnn3C)cc2n1Cc1ccccn1 ZINC000096172195 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1 ZINC000096172198 JK Annotated Anodyne CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 ZINC000096172199 JK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 ZINC000096172200 JK Annotated Anodyne CCOC(=O)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc21 ZINC000096172207 JK Annotated Anodyne CC(C)COc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172234 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3cccc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172245 JK Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172246 JK Annotated Anodyne COCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172248 JK Annotated Anodyne C#CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172249 JK Annotated Mild CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172250 JK Annotated Anodyne CCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172251 JK Annotated Anodyne CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172252 JK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(/C=N/N(C)C)cc2n1Cc1ccccn1 ZINC000096172255 JK Annotated Mild CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172256 JK Annotated Mild CC(C)[C@H](C)C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)cc(Cl)c4)c23)C1 ZINC000096172265 JK Annotated Anodyne O=C1Cn2c(-c3ccc(O)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NCCCCCCN1 ZINC000096172334 JK Annotated Anodyne COCCCN(c1c(OC)nn2c(-c3c(OC)cc(C4CC4)cc3OC)csc12)C1CCCC1 ZINC000096172604 JK Annotated Anodyne CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cncs4)cc3)C2)c(OC)c1 ZINC000096172975 JK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cccc(NC(C)=O)c4)cc3)C2)cc1 ZINC000096172982 JK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4nc(C)sc4C)cc3)C2)cc1 ZINC000096172993 JK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccnc(NC(C)=O)c4)cc3)C2)cc1 ZINC000096172996 JK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4sc(NC(C)=O)nc4C)cc3)C2)cc1 ZINC000096172999 JK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cnc(NC(C)=O)s4)cc3)C2)cc1 ZINC000096173003 JK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4csc(NC(C)=O)n4)cc3)C2)cc1 ZINC000096173006 JK Annotated Clean COc1cc(OC)c(Cl)c(-c2ccc(C(=O)NC3=NC(CN(C)C)=CC3)c3ncccc23)c1Cl ZINC000096173429 JK Annotated Anodyne COc1cccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096173958 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc2ccccc2c1 ZINC000096173959 JK Annotated Anodyne COc1ccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173962 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc2ccccc12 ZINC000096173965 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Cc1cccc2ccccc12 ZINC000096173966 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)c(F)c1 ZINC000096173968 JK Annotated Anodyne [C-]#[N+]c1ccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173969 JK Annotated Anodyne COc1ccccc1C(=O)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173972 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc2ccccc2s1 ZINC000096173973 JK Annotated Anodyne CC(C)(C)c1ccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173975 JK Annotated Anodyne CN(C)c1ccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173976 JK Annotated Anodyne Cc1cc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)ccc1F ZINC000096173977 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc2c(c1)OCO2 ZINC000096173978 JK Annotated Anodyne O=C(CCc1ccccc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173984 JK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cnc2ccccc2n1 ZINC000096173985 JK Annotated Anodyne [C-]#[N+]c1cccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096173990 JK Annotated Anodyne CCN(Cc1ccncc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174000 JK Annotated Anodyne CN(CCc1ccccn1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174005 JK Annotated Anodyne CN(CCc1ccccc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174009 JK Annotated Anodyne O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1 ZINC000096174028 JK Annotated Anodyne CN(C)c1ccc(C(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096174031 JK Annotated Anodyne O=S(=O)(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000096174039 JK Annotated Anodyne O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1 ZINC000096174040 JK Annotated Anodyne O=S(=O)(CCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000096174041 JK Annotated Anodyne O=C(CCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Cc1ccccc1 ZINC000096174043 JK Annotated Anodyne O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1F ZINC000096174054 JK Annotated Anodyne COc1cccc(NC(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096174056 JK Annotated Anodyne O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccc(F)cc1 ZINC000096174057 JK Annotated Anodyne c1ccc(-n2cc(COCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)nn2)cc1 ZINC000096174118 JK Annotated Anodyne Cc1noc([C@@H]2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)n1 ZINC000096174123 JK Annotated Anodyne Cc1noc([C@H]2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)n1 ZINC000096174124 JK Annotated Anodyne O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1 ZINC000096174127 JK Annotated Anodyne O=C(Nc1ccccc1)NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1 ZINC000096174128 JK Annotated Anodyne Cc1cc(C(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)no1 ZINC000096174141 JK Annotated Anodyne CC(C)(C)OC(=O)CCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174147 JK Annotated Anodyne NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(Br)cc3-4)cc2)CCC1 ZINC000096174154 JK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174156 JK Annotated Anodyne NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(-c5ccccc5)cc3-4)cc2)CCC1 ZINC000096174159 JK Annotated Anodyne c1ccc(CCNC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)cc1 ZINC000096174164 JK Annotated Anodyne NC1(c2ccc(-c3nnc4n3-c3cc(-c5ccccc5)cnc3Nc3ccccc3-4)cc2)CCC1 ZINC000096174165 JK Annotated Anodyne C[C@]1(c2cc(Br)cc(CC(=O)c3ccc(Br)cc3)c2)CCSC(N)=N1 ZINC000096174385 JK Annotated Anodyne C[C@@]1(c2cc(Br)cc(CC(=O)c3ccc(Br)cc3)c2)CCSC(N)=N1 ZINC000096174386 JK Annotated Anodyne O=C(CCc1ccc(F)c(F)c1)c1c(C2CCCC2)n(Cc2ccccn2)c2ccc(O)cc12 ZINC000096174508 JK Annotated Anodyne CCCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(=O)(=O)CCC)c2Cl)n1 ZINC000096174552 JK Annotated Anodyne CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC(C)C)n2)c1Cl ZINC000096174559 JK Annotated Anodyne Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)c(Sc3ccc(C)cc3)c2)cc1 ZINC000096174930 JK Annotated Clean FC1(COc2cccc3ccc(-c4nnc5ccc(Br)cn45)nc23)CCCCC1 ZINC000096175044 JK Annotated Anodyne FC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCCCC1 ZINC000096175054 JK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000096175297 JK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5[nH]ccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1Cc1ccccc1 ZINC000096175298 JK Annotated Anodyne CCCC(CCC)[C@H]1C(C(=O)c2ccc(CO)cc2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176366 JK Annotated Mild COc1cc(F)ccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176371 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4cccn4C)cc3)[C@H]2C2CCCCC2)cc1 ZINC000096176374 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccco4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000096176375 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000096176379 JK Annotated Mild COc1ccc(F)cc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176381 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176387 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4nccs4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176389 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4cccnc4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176394 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccoc4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000096176399 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000096176407 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000096176410 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000096176424 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176435 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176440 JK Annotated Mild CC(C)Oc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176464 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000096176478 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000096176479 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176482 JK Annotated Mild COCCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176483 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176491 JK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176496 JK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176507 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000096176511 JK Annotated Mild COCCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176514 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCN(C)C ZINC000096176515 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176518 JK Annotated Mild COCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176519 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC#N ZINC000096176537 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC#N ZINC000096176540 JK Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)O ZINC000096176541 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000096176542 JK Annotated Mild CCC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176545 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000096176549 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cscc2C)cc1 ZINC000096176550 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176554 JK Annotated Mild CCC(=O)COc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176556 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176558 JK Annotated Mild COCCOc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176563 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176564 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176565 JK Annotated Mild CC(=O)N(C)c1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176566 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176567 JK Annotated Mild COc1cc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000096176575 JK Annotated Mild COCCOc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176576 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176580 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176581 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176585 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000096176589 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000096176595 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000096176596 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000096176599 JK Annotated Mild COCCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176601 JK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176602 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176603 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176604 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176605 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176606 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)cs1 ZINC000096176609 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)s1 ZINC000096176611 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176614 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176615 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176616 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176617 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176618 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176619 JK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176620 JK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176621 JK Annotated Mild COCCOc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000096176638 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000096176642 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(F)(F)F ZINC000096176644 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000096176645 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000096176648 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000096176649 JK Annotated Mild CC(C)Oc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176651 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(F)(F)F ZINC000096176652 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000096176653 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000096176654 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176655 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176657 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000096176658 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000096176659 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000096176660 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000096176666 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000096176669 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000096176670 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000096176673 JK Annotated Mild COCc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176676 JK Annotated Mild COc1cc(F)ccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176677 JK Annotated Mild COc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176678 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176679 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)s1 ZINC000096176680 JK Annotated Mild COC1=C(C(=O)CC(C)C)[C@H](c2ccccc2OC)N(c2ccc(-c3ccc(C)s3)cc2)C1=O ZINC000096176681 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000096176685 JK Annotated Mild COc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176688 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)s1 ZINC000096176689 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)on1 ZINC000096176693 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000096176694 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000096176695 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000096176698 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176700 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176701 JK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176708 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000096176710 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000096176711 JK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176712 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)o1 ZINC000096176713 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)o1 ZINC000096176714 JK Annotated Mild COCCOc1cc(F)ccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176715 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCCO ZINC000096176718 JK Annotated Mild COCCOc1cc(F)ccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176719 JK Annotated Mild COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176720 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)on1 ZINC000096176722 JK Annotated Mild COc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176723 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176724 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000096176725 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)cs1 ZINC000096176726 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176728 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)cs1 ZINC000096176729 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176731 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176732 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176733 JK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176734 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)o1 ZINC000096176736 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000096176743 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000096176744 JK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176745 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000096176747 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000096176748 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)o1 ZINC000096176749 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000096176750 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000096176751 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000096176752 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)s1 ZINC000096176753 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000096176756 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000096176759 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000096176760 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(C3=NCCS3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000096176764 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)cs1 ZINC000096176770 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000096176772 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000096176773 JK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000096176775 JK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000096176776 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000096176779 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCCO ZINC000096176780 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000096176781 JK Annotated Mild C=C(C1=C(O)C(=O)N(c2ccc(-c3nc(C)no3)cc2)[C@H]1c1ccccc1OC(C)C)C(C)C ZINC000096176782 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176790 JK Annotated Mild CCOc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176791 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000096176794 JK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(SC(F)(F)F)cc2)[C@H]1c1ccccc1OC(C)C ZINC000096176798 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000096176799 JK Annotated Mild CC(C)COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176800 JK Annotated Mild CC(C)COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176801 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000096176802 JK Annotated Mild COc1ccc(F)cc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176803 JK Annotated Mild COc1ccc(F)cc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176804 JK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176806 JK Annotated Mild COc1ccccc1[C@@H]1C(C(=O)c2cccnc2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176811 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)c2cccnc2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176812 JK Annotated Mild COc1ncccc1[C@@H]1C(C(=O)CC(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176813 JK Annotated Mild COCCOc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176816 JK Annotated Mild Cc1nc(-c2ccc(/N=C3/C[C@H](C4CCCCC4)N(c4ccc(-c5noc(C)n5)cc4)C3=O)cc2)no1 ZINC000096176820 JK Annotated Mild COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176822 JK Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176823 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccnc3OC(C)C)cc2)o1 ZINC000096176830 JK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4cc(C)on4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000096176831 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)o1 ZINC000096176837 JK Annotated Mild COCCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176840 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N(C)C)cc2)o1 ZINC000096176844 JK Annotated Mild CCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176846 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCCC3)cc2)no1 ZINC000096176854 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3S(C)(=O)=O)cc2)cs1 ZINC000096176858 JK Annotated Mild CC(C)Oc1ccccc1[C@@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176863 JK Annotated Mild CC(C)COc1ccccc1[C@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176864 JK Annotated Mild CCOc1ncccc1[C@@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176866 JK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176867 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C4CCCC4)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000096176869 JK Annotated Mild CC(C)Oc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csnn2)cc1 ZINC000096176884 JK Annotated Mild CNC(=O)CCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176886 JK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3COC(C)C)cc2)no1 ZINC000096176890 JK Annotated Mild CC(C)OCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176891 JK Annotated Mild CC(C)OCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176892 JK Annotated Mild CCOCOc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176895 JK Annotated Mild Cc1noc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3COC(C)C)cc2)n1 ZINC000096176903 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)c2cc[nH]c2)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176904 JK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)(C)C(=O)O)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176908 JK Annotated Mild CSc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176910 JK Annotated Mild COc1ccccc1[C@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176913 JK Annotated Anodyne COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176916 JK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)s1 ZINC000096176919 JK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccnc3OCCCO)cc2)cs1 ZINC000096176921 JK Annotated Mild C/N=C1/CC(C)(C)C(=O)OC2=C1[C@H](c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096176938 JK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC1CC1 ZINC000096176939 JK Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccccc2OCC2CCOCC2)cc1 ZINC000096176942 JK Annotated Mild COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000096176953 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCCO)N(c1ccc(-c3cccs3)cc1)C2=O ZINC000096176960 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176966 JK Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176967 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3cccs3)cc1)C2=O ZINC000096176970 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096176971 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(SC)cc1 ZINC000096176974 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176975 JK Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176978 JK Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176980 JK Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177043 JK Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096177045 JK Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096177046 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177055 JK Annotated Anodyne CCC(=O)COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177057 JK Annotated Anodyne COc1cccc(OC)c1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177068 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OC(F)(F)F)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177069 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C3(CO)CCCCC3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177072 JK Annotated Anodyne COCc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000096177076 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@@H](c1ccccc1OCCN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177086 JK Annotated Anodyne CC(=O)N(C)c1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177090 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1CN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177092 JK Annotated Anodyne CC(=O)Nc1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177093 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1NC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177095 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@@H](c1ccccc1NS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177096 JK Annotated Anodyne CNC(=O)c1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177100 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1C(=O)N(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177101 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1CC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177102 JK Annotated Anodyne COC(=O)Nc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177103 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OC(F)F)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177110 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177112 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCCO)N(c1ccc(-c3ccco3)cc1)C2=O ZINC000096177113 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCC#N)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177116 JK Annotated Mild COCCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177122 JK Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177123 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCCO)N(c1ccc(-c3ccoc3)cc1)C2=O ZINC000096177132 JK Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096177133 JK Annotated Anodyne COCc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177134 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC#N)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177135 JK Annotated Mild CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1C(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177139 JK Annotated Anodyne CNc1cc(-c2ccc(N3C(=O)c4[nH]nc(C(C)(C)C)c4[C@@H]3c3ccccc3OC)cc2)on1 ZINC000096177154 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(NC(C)=O)no2)cc1 ZINC000096177155 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C(=O)O)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177171 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C(=O)O)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177173 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177177 JK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCC#N)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177181 JK Annotated Mild CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCc1nnn[nH]1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177183 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(-c3ccco3)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177186 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(C)(C)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177192 JK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=N)NO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177193 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2CN1C(=O)Nc1ccc(-c2ccsc2)cc1 ZINC000096177197 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)c3ccccc3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177207 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177224 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177225 JK Annotated Anodyne COC(=O)n1nc(C(C)(C)C)c2c1C(=O)N(c1ccc(Br)cc1)[C@@H]2c1ccccc1OC ZINC000096177236 JK Annotated Anodyne COc1cc(N2C(=O)c3[nH]nc(C(C)C)c3[C@@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000096177242 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(NC(C)=O)c1 ZINC000096177244 JK Annotated Anodyne COC(=O)c1cc(N2C(=O)c3[nH]nc(C(C)C)c3[C@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000096177248 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(C(N)=O)c1 ZINC000096177249 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(CO)c1 ZINC000096177250 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000096177251 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2Cl)cc1 ZINC000096177279 JK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096177281 JK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096177282 JK Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177285 JK Annotated Anodyne C=CC(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nc(C)cc(-c4cccnc4)n3)c2)cc1 ZINC000096177464 JK Annotated Mild Cc1ccc(CC(=O)c2ccc(CC(=O)[C@@H](C)Cl)cc2)cc1Cc1nccc(-c2cccnc2)n1 ZINC000096177466 JK Annotated Reactive Cc1ccc(CC(=O)c2ccc(CC(=O)[C@H](C)Cl)cc2)cc1Cc1nccc(-c2cccnc2)n1 ZINC000096177467 JK Annotated Reactive CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(C(=O)CC6CC6)c5)c4n3)cn2)CC1 ZINC000096177559 JK Annotated Anodyne CC1(C)C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1 ZINC000096177653 JK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)ccc2F)c1F ZINC000096177654 JK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1F ZINC000096177670 JK Annotated Anodyne COc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1 ZINC000096177688 JK Annotated Anodyne CC1(C)C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1 ZINC000096177692 JK Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C(F)(F)F)C[C@H](N)C3)n2)c1 ZINC000096177755 JK Annotated Anodyne N[C@H]1C[C@@H](C(F)(F)F)C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(C3CCCCC3)n2)C1 ZINC000096177758 JK Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1C[C@H](C(F)(F)F)C[C@H](N)C1 ZINC000096177759 JK Annotated Anodyne CC1(C)C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1 ZINC000096177769 JK Annotated Anodyne COc1cc(F)c(-c2nc(C(=O)Cc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)ccc2F)c(F)c1 ZINC000096177770 JK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)ccc(F)c3F)n2)C1 ZINC000096177776 JK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1F ZINC000096177787 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@@](CC(C)(C)O)(C2CCOCC2)OC1=O ZINC000096178553 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(C2CCOCC2)OC1=O ZINC000096178554 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@@](CC2CC2)(CC(C)(C)O)OC1=O ZINC000096178555 JK Annotated Anodyne C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@](CC2CC2)(CC(C)(C)O)OC1=O ZINC000096178556 JK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(C(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000096236952 JK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(C(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000096236953 JK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(C(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000096236954 JK Annotated Anodyne CCN(Cc1nc(O)n[nH]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000096248115 JK Annotated Anodyne O=C(CC[C@@H]1COc2cccc(OCC3CCCCC3)c2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000096258423 JK Annotated Anodyne O=C(CC[C@H]1COc2cccc(OCC3CCCCC3)c2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000096258424 JK Annotated Anodyne O=c1c(CC[C@H](O)c2ccc(C(F)(F)F)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000096258428 JK Annotated Anodyne O=c1c(CC[C@@H](O)c2ccc(C(F)(F)F)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000096258430 JK Annotated Anodyne O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000096258436 JK Annotated Anodyne O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(Cl)c(Cl)c1 ZINC000096258440 JK Annotated Anodyne O=c1c(CC[C@H](O)c2ccc(Cl)c(Cl)c2)coc2cccc(OCC3CCCCC3)c12 ZINC000096258464 JK Annotated Anodyne O=c1c(CC[C@@H](O)c2ccc(Cl)c(Cl)c2)coc2cccc(OCC3CCCCC3)c12 ZINC000096258465 JK Annotated Anodyne CCCc1scc(-c2cn[nH]c2)c1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O ZINC000096269758 JK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(C4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270313 JK Annotated Anodyne O=C(O)c1ccc(CN2C(=O)/C(=C(\c3ccccc3)c3ccc(Cl)cc3)c3ccccc32)nc1 ZINC000096270360 JK Annotated Anodyne CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2nc(C3CC3)n(C)c2Sc2ccc(Cl)cn2)cc1 ZINC000096270414 JK Annotated Anodyne O=C1NC2=C(CNC/C2=C\c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000096270586 JK Annotated Anodyne O=C1NC2=C(CNC/C2=C\c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000096270587 JK Annotated Anodyne O=C(N[C@H]1CCC[C@H](CO)C1)C1CCN(c2nc3cc(Cl)c(-c4ccc(F)cc4)cc3o2)CC1 ZINC000096271072 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@@H](CCc2ccccc2)c2ccccc2)c1Cl ZINC000096271202 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H](CCc2ccccc2)c2ccccc2)c1Cl ZINC000096271203 JK Annotated Anodyne Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H](NC(=O)Cc2ccccc2)c2ccccc2)c1Cl ZINC000096271222 JK Annotated Anodyne CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000096271718 JK Annotated Anodyne CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000096271719 JK Annotated Anodyne CC[C@H]1S[C@@H](c2ccc(Oc3ccccc3)cc2)c2c(C)nn(-c3ccccc3C)c2NC1=O ZINC000096272015 JK Annotated Anodyne CC[C@@H]1S[C@@H](c2ccc(Oc3ccccc3)cc2)c2c(C)nn(-c3ccccc3C)c2NC1=O ZINC000096272016 JK Annotated Anodyne CC[C@H]1S[C@H](c2ccc(Oc3ccccc3)cc2)c2c(C)nn(-c3ccccc3C)c2NC1=O ZINC000096272017 JK Annotated Anodyne CC[C@@H]1S[C@H](c2ccc(Oc3ccccc3)cc2)c2c(C)nn(-c3ccccc3C)c2NC1=O ZINC000096272018 JK Annotated Anodyne CCc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000096272020 JK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@@H](C)S[C@H]2c1ccc(Oc2ccccc2)cc1 ZINC000096272022 JK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@@H](C)S[C@@H]2c1ccc(Oc2ccccc2)cc1 ZINC000096272023 JK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@H]2c1ccc(Oc2ccccc2)cc1 ZINC000096272024 JK Annotated Anodyne O=C(Nc1ccc(Cl)nc1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096272144 JK Annotated Anodyne O=C(Nc1ccc(Cl)nc1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096272145 JK Annotated Anodyne C=Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 ZINC000096272174 JK Annotated Anodyne C=Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 ZINC000096272175 JK Annotated Anodyne c1cnc2ccc(Cn3cc4ccc(-c5cnn(CCO[C@@H]6CCCCO6)c5)cc4n3)cc2c1 ZINC000096272719 JK Annotated Anodyne c1cnc2ccc(Cn3cc4ccc(-c5cnn(CCO[C@H]6CCCCO6)c5)cc4n3)cc2c1 ZINC000096272720 JK Annotated Anodyne c1cnc2ccc(Cn3ncc4ccc(-c5cnn(CCO[C@@H]6CCCCO6)c5)cc43)cc2c1 ZINC000096272724 JK Annotated Anodyne c1cnc2ccc(Cn3ncc4ccc(-c5cnn(CCO[C@H]6CCCCO6)c5)cc43)cc2c1 ZINC000096272725 JK Annotated Anodyne COc1ccnc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c1C(F)(F)F ZINC000096272940 JK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccnc3C(F)(F)F)cc12 ZINC000096272941 JK Annotated Anodyne NC1CCC(Nc2nc(NCc3ccc(-c4ccsc4)nc3)c3ncn(C4CCCC4)c3n2)CC1 ZINC000096273139 JK Annotated Anodyne NC1CCC(Nc2nc(NCc3ccc(-c4cccs4)nc3)c3ncn(C4CCCC4)c3n2)CC1 ZINC000096273140 JK Annotated Anodyne NC1CCC(Nc2nc(NCc3ccc(-c4ccoc4)cc3)c3ncn(C4CCCC4)c3n2)CC1 ZINC000096273151 JK Annotated Anodyne NC1CCC(Nc2nc(NCc3ccc(-c4cccs4)cc3)c3ncn(C4CCCC4)c3n2)CC1 ZINC000096273152 JK Annotated Anodyne NC1CCC(Nc2nc(NCc3ccc(-c4ccsc4)cc3)c3ncn(C4CCCC4)c3n2)CC1 ZINC000096273153 JK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc(Cl)c(Cl)c3)ccc2c1Cl ZINC000096273166 JK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3cccc(Oc4ccccc4)c3)ccc2c1Cl ZINC000096273190 JK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3cccc(Br)c3)ccc2c1Cl ZINC000096273192 JK Annotated Anodyne Cc1cccc(-c2nnc(S)n2-c2ccc3c(Cl)c(C(=O)O)sc3c2)c1Br ZINC000096273195 JK Annotated Anodyne O=C(O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccc(Cl)c(Cl)c1 ZINC000096273197 JK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc(Br)cc3)ccc2c1Cl ZINC000096273199 JK Annotated Anodyne Cc1cc(-c2nnc(S)n2-c2ccc3c(Cl)c(C(=O)O)sc3c2)ccc1Br ZINC000096273201 JK Annotated Anodyne Cc1ccc2c(Cl)c(-c3nnc(SCC(=O)O)n3-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000096273204 JK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3cc(Cl)cc(Cl)c3)ccc2c1Cl ZINC000096273206 JK Annotated Anodyne O=C(O)c1cc2ccc(-n3c(S)nnc3-c3ccc(Br)c(Cl)c3)cc2s1 ZINC000096273207 JK Annotated Anodyne C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000096273480 JK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc3ccccc3c2)C1=O ZINC000096273482 JK Annotated Anodyne C[C@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000096273487 JK Annotated Anodyne C[C@@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000096273488 JK Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000096273544 JK Annotated Anodyne Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1 ZINC000096273718 JK Annotated Mild Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1 ZINC000096273719 JK Annotated Mild Cc1cc(/C(C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1 ZINC000096273720 JK Annotated Mild Cc1cc(/C(C[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1 ZINC000096273721 JK Annotated Mild Cc1cc(/C(C[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)=N/O)ccn1 ZINC000096273722 JK Annotated Mild Cc1cc(/C(C[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)=N/O)ccn1 ZINC000096273723 JK Annotated Mild OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 ZINC000096274022 JK Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C ZINC000096282438 JK Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2sccc2n1-c1ccc(F)cc1 ZINC000096282445 JK Annotated Anodyne Cc1c(C(=O)N(CCN(C)C)Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)c2ccccc12 ZINC000096282446 JK Annotated Anodyne COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 ZINC000096282619 JK Annotated Anodyne CCN1CC2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000096282922 JK Annotated Anodyne CCN1CC2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000096282923 JK Annotated Anodyne O=C(O)c1cc(Cl)ccc1NC(=O)[C@@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000096283162 JK Annotated Anodyne O=C(O)c1cc(Cl)ccc1NC(=O)[C@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000096283163 JK Annotated Anodyne COc1ccc2cc3[n+](cc2c1OCCSc1ccccc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000096283232 JK Annotated Anodyne COc1ccc2cc3[n+](cc2c1OCCSc1ccccc1C)CCc1cc2c(cc1-3)OCO2 ZINC000096283235 JK Annotated Anodyne CCCc1ccc(S(=O)(=O)Oc2ccccc2-c2cc(CC)n(CCN3CCCCC3)n2)cc1 ZINC000096283459 JK Annotated Anodyne CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283834 JK Annotated Anodyne CCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283845 JK Annotated Anodyne CC(C)(CNC(=O)NCC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283849 JK Annotated Anodyne Nc1c2c(nc3c1[C@@H](c1ccc(Cl)cc1Cl)c1c(c4ccccc4oc1=O)O3)CCCC2 ZINC000096284168 JK Annotated Anodyne Nc1c2c(nc3c1[C@H](c1ccc(Cl)cc1Cl)c1c(c4ccccc4oc1=O)O3)CCCC2 ZINC000096284169 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3ccc(F)cc3)ncn2c1 ZINC000096284214 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3ccc(F)cc3)ncn2c1 ZINC000096284215 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3ccc(F)cc3F)ncn2c1 ZINC000096284220 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3ccc(F)cc3F)ncn2c1 ZINC000096284221 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3cccc(CO)c3)ncn2c1 ZINC000096284236 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3cccc(CO)c3)ncn2c1 ZINC000096284237 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1 ZINC000096284238 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1 ZINC000096284239 JK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1 ZINC000096284242 JK Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1 ZINC000096284243 JK Annotated Mild CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1 ZINC000096284244 JK Annotated Mild CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc2c(-c3cccc(C#N)c3)ncn2c1 ZINC000096284245 JK Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1 ZINC000096284246 JK Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1 ZINC000096284247 JK Annotated Mild FC(F)(F)c1ccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)cc1 ZINC000096284402 JK Annotated Anodyne Cc1nc2c(s1)CN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccc(F)cc1)C2 ZINC000096284546 JK Annotated Anodyne Cc1nc2c(s1)CCN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)CC2 ZINC000096284557 JK Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C ZINC000096284934 JK Annotated Anodyne O=S(=O)(NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285062 JK Annotated Mild O=S(=O)(NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285063 JK Annotated Mild N#C[C@H](NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285064 JK Annotated Mild N#C[C@@H](NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285065 JK Annotated Mild N#C[C@H](NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285068 JK Annotated Mild N#C[C@@H](NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285069 JK Annotated Mild CCCN(Cc1cnccc1-c1ccccc1F)[C@@H](C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285082 JK Annotated Mild CCCN(Cc1cnccc1-c1ccccc1F)[C@H](C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285083 JK Annotated Mild CC[C@H](NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285084 JK Annotated Mild CC[C@@H](NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285085 JK Annotated Mild C=CC(C)(C)C1=Cc2c(c(CC=C(C)C)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)OC1(C)C ZINC000096286109 JK Annotated Mild Cc1cc(CCCC(=O)O)cnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O ZINC000096286142 JK Annotated Anodyne Cc1cc(CCC(=O)O)cnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O ZINC000096286143 JK Annotated Anodyne O=C1N(c2ccc(-c3ccccc3)cc2)CCC12CCN(Cc1ncccc1C(F)(F)F)CC2 ZINC000096286146 JK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@H]2CC[C@@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@@]12C ZINC000096286555 JK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@H]2CC[C@@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@@]12C ZINC000096286556 JK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@@H]2CC[C@@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]21C ZINC000096286557 JK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@@H]2CC[C@@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]21C ZINC000096286558 JK Annotated Mild C/C(=N\CCc1c(C)[nH]c2ccc(OCc3ccccc3)cc12)C1=C(O)C[C@H](c2ccccc2)CC1=O ZINC000096299563 JK Annotated Mild CC/C(=N\CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C(O)C[C@H](c2ccccc2)CC1=O ZINC000096299564 JK Annotated Mild CN(C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1)c1ccccc1 ZINC000096310711 JK Annotated Anodyne c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000096310712 JK Annotated Anodyne O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2F)CC1 ZINC000096310717 JK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O ZINC000096334399 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)c1nc(N)c(C#N)c(N)c1[C@H]2c1ccccc1Cl ZINC000096336126 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)c1nc(N)c(C#N)c(N)c1[C@@H]2c1ccccc1Cl ZINC000096336127 JK Annotated Mild Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N(Nc3ccccc3)c3nc(N)c(C#N)c(N)c32)cc1 ZINC000096336130 JK Annotated Mild Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N(Nc3ccccc3)c3nc(N)c(C#N)c(N)c32)cc1 ZINC000096336131 JK Annotated Mild O=C(C1=C(Nc2ccccc2O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1cccs1 ZINC000096336145 JK Annotated Mild O=C(C1=C(Nc2ccccc2O)C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1cccs1 ZINC000096336146 JK Annotated Mild O=C1c2nn(-c3ccccc3)c(-c3cccs3)c2[C@@H](c2cccc(O)c2)N1c1nccs1 ZINC000096336163 JK Annotated Anodyne O=C1c2nn(-c3ccccc3)c(-c3cccs3)c2[C@H](c2cccc(O)c2)N1c1nccs1 ZINC000096336164 JK Annotated Anodyne CC(C)c1ccc([C@@H]2c3c(nn(-c4ccccc4)c3-c3ccco3)C(=O)N2c2nccs2)cc1 ZINC000096336433 JK Annotated Anodyne CC(C)c1ccc([C@H]2c3c(nn(-c4ccccc4)c3-c3ccco3)C(=O)N2c2nccs2)cc1 ZINC000096336435 JK Annotated Anodyne Cc1cc(CN2CCCN(c3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)no1 ZINC000096835190 JK Annotated Anodyne C[C@@H]1C(=O)C[C@H]2[C@@H](/C1=C\C[C@@H]1[C@@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]31C)C(C)(C)CC[C@]2(C)O ZINC000096888302 JK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)O ZINC000096888323 JK Annotated Anodyne CC(C)=CCC[C@@]1(C)C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@H]1O ZINC000096888340 JK Annotated Anodyne C[C@H](C/C=C\C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000096888341 JK Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3cc(OC/C=C/c4ccccc4)c4c(c3C[C@H]12)O[C@@]1(C)OC[C@H](C)[C@H]1C4 ZINC000096900489 JK Annotated Anodyne Cc1ccc(-c2csc(N3CCN(CCCn4c(-c5ccncc5)nc5ccccc54)CC3)n2)cc1 ZINC000096900668 JK Annotated Anodyne CCCC[C@@H]1C[C@@]1(C)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000096900963 JK Annotated Anodyne CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000096901330 JK Annotated Anodyne C[C@H](O)C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000096901582 JK Annotated Anodyne CCN1C(=O)[C@@H](c2ccc(-c3cnco3)cc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096901657 JK Annotated Anodyne CCN1C(=O)[C@H](c2ccc(-c3cnco3)cc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096901658 JK Annotated Anodyne CO/N=C1\CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C ZINC000096902382 JK Annotated Mild CO[C@H]1O[C@]2(C=C(C)C(=O)O2)C[C@@H]1[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000096902422 JK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@@H](c4ccccc4)O[C@H]1/C(=C/c1ccccc1)C(=O)[C@@]23C ZINC000096902428 JK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@H](c4ccccc4)O[C@H]1/C(=C/c1ccccc1)C(=O)[C@@]23C ZINC000096902429 JK Annotated Mild CC[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCOC(C)=O ZINC000096903002 JK Annotated Mild CC[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCOC(C)=O ZINC000096903003 JK Annotated Mild COc1ccc(N2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCCCC5)CC2)cc1 ZINC000096903261 JK Annotated Clean COc1ccc(N2CCN(c3nc(-c4ccccn4)nc4sc5c(c34)CCCCCC5)CC2)cc1 ZINC000096903262 JK Annotated Clean c1ccc(N2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCCCC5)CC2)cc1 ZINC000096903263 JK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](/C1=C\C[C@@H]1[C@@](C)(O)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)C(C)(C)CC[C@]2(C)O ZINC000096903567 JK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)CO)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000096903596 JK Annotated Mild C/C(=C/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000096903844 JK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CC)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096905690 JK Annotated Anodyne COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)S2)c(OC)c1 ZINC000096905742 JK Annotated Clean O=C(NCCCl)NCCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905903 JK Annotated Reactive Cc1ccc(S(=O)(=O)NCCCN2c3ccc(C)cc3Sc3cc4ccccc4nc32)cc1 ZINC000096905913 JK Annotated Anodyne COCCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906312 JK Annotated Anodyne COCCCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906313 JK Annotated Anodyne COCCCCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906314 JK Annotated Anodyne CC(C)Cn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906319 JK Annotated Anodyne CCCCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906320 JK Annotated Anodyne CC(C)CCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906322 JK Annotated Anodyne CC(C)CCCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906323 JK Annotated Anodyne COC[C@@H](C)Cn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906324 JK Annotated Anodyne COC[C@H](C)Cn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906325 JK Annotated Anodyne CN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(CCCC(=O)O)c4c3c2)cc1 ZINC000096906327 JK Annotated Anodyne CN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(-c5ccccc5)c4c3c2)cc1 ZINC000096906329 JK Annotated Anodyne COCCCn1c(=O)nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)c2oc3ccc(Cl)cc3c21 ZINC000096906333 JK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]3(C)C(=O)C[C@H]3[C@@](C)(CO)C(=O)C=C[C@]23C)CO1 ZINC000096906349 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000096906357 JK Annotated Anodyne C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000096906358 JK Annotated Anodyne C[C@@H]1CCCc2c1nc(NC(=S)NC(=O)c1ccccc1)c(C#N)c2-c1ccc(Cl)cc1 ZINC000096906366 JK Annotated Mild C[C@H]1CCCc2c1nc(NC(=S)NC(=O)c1ccccc1)c(C#N)c2-c1ccc(Cl)cc1 ZINC000096906367 JK Annotated Mild C[C@@H]1CCCc2c1nc1nc(SCC(=O)c3ccccc3)nc(N)c1c2-c1ccc(Cl)cc1 ZINC000096906382 JK Annotated Anodyne C[C@H]1CCCc2c1nc1nc(SCC(=O)c3ccccc3)nc(N)c1c2-c1ccc(Cl)cc1 ZINC000096906383 JK Annotated Anodyne CC(C)[C@@H]1c2c[nH]nc2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000096906445 JK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@]4(CC(c5c6ccccc6cc6ccccc56)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906655 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5c6ccccc6cc6ccccc56)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906656 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5ccc([N+](=O)[O-])cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906659 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5ccc([N+](=O)[O-])cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906660 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5ccc([N+](=O)[O-])cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906661 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5ccc([N+](=O)[O-])cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906662 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5cc(F)cc(F)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906675 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5cc(F)cc(F)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906676 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5cc(F)cc(F)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906677 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5cc(F)cc(F)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906678 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5cccc([N+](=O)[O-])c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906683 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5cccc([N+](=O)[O-])c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906684 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5cccc([N+](=O)[O-])c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906685 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5cccc([N+](=O)[O-])c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906686 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5cccc6ccccc56)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906687 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5cccc6ccccc56)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906688 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5cccc6ccccc56)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906689 JK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5cccc6ccccc56)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906690 JK Annotated Mild Cc1noc(/C=C/c2ccccc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000096906978 JK Annotated Mild Cc1noc(/C=C/c2ccccc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096906979 JK Annotated Mild C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000096907036 JK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000096907037 JK Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCCC2)nc1 ZINC000096907045 JK Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(SC(C)C)cc3n2C2CCC2)nc1 ZINC000096907050 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(C)C3 ZINC000096907144 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(C)C3 ZINC000096907145 JK Annotated Anodyne C=CCN1COc2c(C)c(C)c3c(c2C1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3 ZINC000096907146 JK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCO)C3 ZINC000096907150 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCO)C3 ZINC000096907151 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc3c(c(C)c2O1)CN(CCO)CO3 ZINC000096907152 JK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCO)C3 ZINC000096907154 JK Annotated Anodyne C=C1C(CCOC(=O)/C=C/c2ccc(O)c(O)c2)=CC(=O)[C@H]2[C@H]1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000096907182 JK Annotated Mild O[C@@H](c1ccccc1)c1c(C(F)(F)F)nc2ccc(Br)cc2c1Br ZINC000096907315 JK Annotated Anodyne O[C@H](c1ccccc1)c1c(C(F)(F)F)nc2ccc(Br)cc2c1Br ZINC000096907316 JK Annotated Anodyne C[C@]1(OC[C@@H]2CO2)c2ccccc2-c2c1c(C(F)(F)F)nc1ccc(Br)cc21 ZINC000096907758 JK Annotated Anodyne C[C@@]1(OC[C@@H]2CO2)c2ccccc2-c2c1c(C(F)(F)F)nc1ccc(Br)cc21 ZINC000096907759 JK Annotated Anodyne C[C@]1(OC[C@H]2CO2)c2ccccc2-c2c1c(C(F)(F)F)nc1ccc(Br)cc21 ZINC000096907760 JK Annotated Anodyne C[C@@]1(OC[C@H]2CO2)c2ccccc2-c2c1c(C(F)(F)F)nc1ccc(Br)cc21 ZINC000096907761 JK Annotated Anodyne CCNCCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908077 JK Annotated Anodyne CCCNCCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908078 JK Annotated Anodyne CC(C)NCCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908079 JK Annotated Anodyne CC(C)(C)NCCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908080 JK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNC3CC3)CC[C@]21C ZINC000096908081 JK Annotated Anodyne Cc1ncc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1OC(C)(C)OC2 ZINC000096908094 JK Annotated Reactive CC1(C)CN=C(c2cccc(-c3cccc(-c4cccc(C5=NCC(C)(C)CN5)c4)c3)c2)NC1 ZINC000096908123 JK Annotated Anodyne O=C(NCc1ccc2ccccc2c1)c1cc(NCc2ccco2)c(O)c(NCc2ccco2)c1 ZINC000096908147 JK Annotated Anodyne N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OC(F)F)ccc12 ZINC000096908660 JK Annotated Mild N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096908661 JK Annotated Mild CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1 ZINC000096908667 JK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)N[C@H]1CCCC[C@@H]1N(C)C ZINC000096908738 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)N[C@H]1CCCC[C@@H]1N1CCCC1 ZINC000096908739 JK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)N[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000096908740 JK Annotated Anodyne CC1(C)CN=C(c2ccc(-c3cccc(-c4ccc(C5=NCC(C)(C)CN5)cc4)c3)cc2)NC1 ZINC000096908765 JK Annotated Anodyne CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(C5=NCC(C)(C)CN5)cc4)cc([N+](=O)[O-])c3)cc2)NC1 ZINC000096908770 JK Annotated Bother CC(=O)O[C@@H](C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@@H]1OC1(C)C ZINC000096908868 JK Annotated Anodyne CCn1cc/c(=N\c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c2ccc(Cl)cc21 ZINC000096909076 JK Annotated Anodyne CCn1cc/c(=N\c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c2ccc(C(F)(F)F)cc21 ZINC000096909077 JK Annotated Anodyne C=Cc1cccc(-c2cc3c(cc2C(=O)O)OCO3)c1N(C)CCCCCCCCCCC ZINC000096909164 JK Annotated Mild N#Cc1c(Sc2ccccc2)c(F)c(Sc2ccccc2)c(C#N)c1Sc1ccccc1 ZINC000096909229 JK Annotated Mild N#Cc1c(N)c(Sc2ccccc2)c(Sc2ccccc2)c(C#N)c1Sc1ccccc1 ZINC000096909231 JK Annotated Mild Oc1nc(CN2CCCCC2)nc2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc12 ZINC000096909355 JK Annotated Anodyne O=c1[nH]c(-c2ccc(Cl)cc2)nc2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc12 ZINC000096909357 JK Annotated Anodyne CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(OC)c(O)c2)c1CO)OCO3 ZINC000096909448 JK Annotated Anodyne COc1ccc(Oc2nnnc3cc(-c4cn(Cc5ccccc5)c5ccccc45)sc23)cc1 ZINC000096909543 JK Annotated Anodyne COc1ccc(Oc2ncnc3cc(-c4cn(Cc5ccccc5)c5ccccc45)sc23)cc1 ZINC000096909544 JK Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2F)cc1 ZINC000096909596 JK Annotated Anodyne Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096909597 JK Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(F)c2)cc1 ZINC000096909601 JK Annotated Anodyne O=C(c1cc(Cl)ccc1-c1ncccn1)N1CC2(CC2)C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000096909612 JK Annotated Anodyne Cc1ccc(-c2ccccc2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1 ZINC000096909613 JK Annotated Anodyne C=C(C)[C@@H]1[C@@H]2O[C@@H]2[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000096909623 JK Annotated Mild C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@H]12)C(=O)O ZINC000096909624 JK Annotated Anodyne C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@H]12)C(=O)O ZINC000096909625 JK Annotated Anodyne C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@H]12)C(=O)O ZINC000096909626 JK Annotated Anodyne C/C(=C/C(=O)C[C@@H](C)[C@]1(C)CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@H]12)C(=O)O ZINC000096909627 JK Annotated Anodyne C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000096909631 JK Annotated Mild CCCCNc1nc(NCCCC)nc(Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909688 JK Annotated Anodyne CCCCNc1nc(NCCCC)nc(Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909689 JK Annotated Anodyne CC(C)(C)Nc1nc(Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)nc(NC(C)(C)C)n1 ZINC000096909692 JK Annotated Anodyne CC(C)(C)Nc1nc(Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)nc(NC(C)(C)C)n1 ZINC000096909693 JK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC)cc3)cn(C)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909732 JK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(OC)c(-c3ccc(OC)cc3)cn(C)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909733 JK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CC)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909734 JK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OCC)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909735 JK Annotated Anodyne N#CCCCCCCCCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3)cc1O ZINC000096909754 JK Annotated Mild CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 ZINC000096909756 JK Annotated Anodyne CCCCCC(=O)OCc1c(CO)cc2ccc3c(c2c1-c1ccc2c(c1)OCO2)OCO3 ZINC000096909757 JK Annotated Anodyne CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(OC)c(OC)c2)c1CO)OCO3 ZINC000096909761 JK Annotated Anodyne Cc1ccc(OCc2ccccc2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1 ZINC000096909835 JK Annotated Anodyne Cc1ccc(-c2nccs2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1 ZINC000096909837 JK Annotated Anodyne O=C(c1cc(Cl)ccc1-c1ncccn1)N1CC2(CC2)C[C@H]1CNc1cc(C(F)(F)F)ccn1 ZINC000096909845 JK Annotated Anodyne CC1=C(/C=C/C2=NN(c3ccc(F)cc3)[C@H](c3ccc(-n4cncn4)cc3)C2)C(C)(C)CCC1 ZINC000096909857 JK Annotated Anodyne CC1=C(/C=C/C2=NN(c3ccc(F)cc3)[C@@H](c3ccc(-n4cncn4)cc3)C2)C(C)(C)CCC1 ZINC000096909858 JK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccc(F)cc2)[C@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909865 JK Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccc(F)cc2)[C@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909866 JK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccc(F)cc2)[C@@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909867 JK Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccc(F)cc2)[C@@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909868 JK Annotated Anodyne C=CCn1cc(-c2ccc(O)cc2)c(O)c(C(=O)[C@@H]2C=C(C)[C@H]3CC[C@H](C)C[C@@H]3[C@H]2/C=C/C)c1=O ZINC000096909869 JK Annotated Mild C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CC#N)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909872 JK Annotated Mild C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OCC#N)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909873 JK Annotated Mild C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CC(=O)O)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909877 JK Annotated Anodyne Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909918 JK Annotated Anodyne Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909919 JK Annotated Anodyne Sc1nnc(COc2c(Br)cc(Br)c3cccnc23)n1-c1ccccc1 ZINC000096910078 JK Annotated Anodyne Cc1ccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)cc1 ZINC000096910118 JK Annotated Anodyne Cc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1ccccc1 ZINC000096910124 JK Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000096910128 JK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]2[C@@](C)(Cl)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910183 JK Annotated Anodyne COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(C/C=C/c4cc(F)ccc4F)C[C@@H]3C(=O)O)c2c1 ZINC000096910192 JK Annotated Anodyne COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C/C=C/c4cc(F)ccc4F)C[C@@H]3C(=O)O)c2c1 ZINC000096910193 JK Annotated Anodyne COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccccc5)C4)C[C@@H]3C(=O)O)c2c1 ZINC000096910196 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H](CCc3ccoc3)/C(=C/OS(=O)(=O)O)CC[C@@H]21 ZINC000096910201 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H](CCc3ccoc3)/C(=C/OS(=O)(=O)O)CC[C@H]21 ZINC000096910203 JK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H](CCc3ccoc3)/C(=C/OS(=O)(=O)O)CC[C@H]21 ZINC000096910204 JK Annotated Anodyne COc1ccc2[nH]cc(C(c3ccc(F)c(Br)c3)c3c[nH]c4ccc(OC)cc34)c2c1 ZINC000096910255 JK Annotated Anodyne COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(C4CC(c5ccccc5)C4)C[C@@H]3C(=O)O)c2c1 ZINC000096910294 JK Annotated Anodyne COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccccc5F)C4)C[C@@H]3C(=O)O)c2c1 ZINC000096910295 JK Annotated Anodyne O=C(C[n+]1ccn(Cc2c(-c3ccccc3)oc3ccccc23)c1)c1ccc(Br)cc1 ZINC000096910403 JK Annotated Mild COc1ccc(C(=O)C[n+]2cn(Cc3c(-c4ccccc4)oc4ccccc34)c3ccccc32)cc1 ZINC000096910408 JK Annotated Mild O=C(C[n+]1cn(Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccc(F)cc1 ZINC000096910409 JK Annotated Mild O=C(C[n+]1cn(Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccc2ccccc2c1 ZINC000096910411 JK Annotated Mild Brc1ccccc1C[n+]1cn(Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21 ZINC000096910413 JK Annotated Anodyne CCc1n(Cc2c(-c3ccccc3)oc3ccccc23)cc[n+]1CC(=O)c1ccc(OC)cc1 ZINC000096910416 JK Annotated Mild CCc1n(Cc2c(-c3ccccc3)oc3ccccc23)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000096910419 JK Annotated Mild CCc1n(Cc2c(-c3ccccc3)oc3ccccc23)cc[n+]1Cc1ccccc1Br ZINC000096910420 JK Annotated Anodyne O=C(C[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1)c1ccc(Br)cc1 ZINC000096910426 JK Annotated Mild O=C(c1ccccc1)[C@H](c1ccccc1)[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1 ZINC000096910428 JK Annotated Mild O=C(c1ccccc1)[C@@H](c1ccccc1)[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1 ZINC000096910429 JK Annotated Mild Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc(OCCCC3CCNCC3)n2)c(C)c1 ZINC000096911484 JK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@]23C(=O)O[C@]4(CC[C@]12C)C3=CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]14C ZINC000096911637 JK Annotated Anodyne O=C1c2cnn(Cc3ccccc3)c2N[C@@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl ZINC000096913381 JK Annotated Mild O=C1c2cnn(Cc3ccccc3)c2N[C@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl ZINC000096913383 JK Annotated Mild O=C(NCc1ccccc1Cl)[C@H](CCO)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000096913528 JK Annotated Anodyne O=C(NCc1ccccc1Cl)[C@@H](CCO)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000096913530 JK Annotated Anodyne CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccncc3)c2)cc(Cl)c1O ZINC000096913592 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(C(F)(F)F)c2)cc(Cl)c1O ZINC000096913595 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccccc3)c2)cc(Cl)c1O ZINC000096913597 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cc(Cl)cc(Cl)c2)cc(Cl)c1O ZINC000096913601 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2ccc3ccccc3c2)cc(Cl)c1O ZINC000096913602 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc3ccccc23)cc(Cl)c1O ZINC000096913603 JK Annotated Mild CCCCCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2ccccc2)cc(Cl)c1O ZINC000096913615 JK Annotated Mild COc1cccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(-c5ccccc5)c(O)c43)cc2)c1O ZINC000096913631 JK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)ccc2c1 ZINC000096914013 JK Annotated Reactive COc1ccc2cc([C@@H](C)C(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)ccc2c1 ZINC000096914014 JK Annotated Reactive CC(C)Cc1ccc([C@@H](C)C(=O)OC[C@@H]2C[C@H](Cl)C[C@H](c3cccc4ccccc34)O2)cc1 ZINC000096914021 JK Annotated Reactive CC(C)Cc1ccc([C@H](C)C(=O)OC[C@@H]2C[C@H](Cl)C[C@H](c3cccc4ccccc34)O2)cc1 ZINC000096914022 JK Annotated Reactive CCCCCCCCCCc1cn(CC[C@]2(C)CC[C@@]3(O2)C(C)=CC[C@H]2C(C)(C)CCC[C@@]23C)nn1 ZINC000096914041 JK Annotated Mild C#Cc1cccc(-c2cn(CC[C@]3(C)CC[C@@]4(O3)C(C)=CC[C@H]3C(C)(C)CCC[C@@]34C)nn2)c1 ZINC000096914042 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(-c3ccccc3)nn2-c2ccccc2)cc(Cl)c1O ZINC000096914310 JK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(Br)c2)cc(Cl)c1O ZINC000096914314 JK Annotated Mild C[C@@H]1[C@H]2C3=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)OC(=O)C[C@H]1C ZINC000096914615 JK Annotated Anodyne C=C(C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C(C[C@]35O[C@@H]5C[C@]12C)C(=O)C=CC4(C)C ZINC000096914653 JK Annotated Mild CC(C)(C)c1ccc2c(c1)OC1(CCN(Cc3csc(N)c3C(=O)c3ccc(Cl)cc3)CC1)O2 ZINC000096914675 JK Annotated Anodyne COC(=O)c1cc(OCCCCCn2c3ccccc3c3c(O)cccc32)cc(C(=O)OC)c1 ZINC000096914725 JK Annotated Anodyne COC(=O)c1cc(OCCCCCCn2c3ccccc3c3c(O)cccc32)cc(C(=O)OC)c1 ZINC000096914726 JK Annotated Anodyne COC(=O)c1cc(OCCCCCCCn2c3ccccc3c3c(O)cccc32)cc(C(=O)OC)c1 ZINC000096914727 JK Annotated Anodyne Cc1ccc(Cn2nc(/C=C/[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000096915011 JK Annotated Anodyne Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000096915012 JK Annotated Anodyne Cc1ccc(Cn2cc(/C=C/[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000096915013 JK Annotated Anodyne CCCC[C@@H](CC)C(=O)Oc1cc(OC)ccc1C(=O)c1ccc(=O)n(-c2ccccc2C)c1 ZINC000096915033 JK Annotated Anodyne CCCC[C@H](CC)C(=O)Oc1cc(OC)ccc1C(=O)c1ccc(=O)n(-c2ccccc2C)c1 ZINC000096915034 JK Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)c2ccc(Cl)cc2)c1 ZINC000096915035 JK Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)Cc2ccccc2Cl)c1 ZINC000096915040 JK Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)OCc2ccccc2)c1 ZINC000096915043 JK Annotated Anodyne COc1cc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc(OC)c1OC ZINC000096915076 JK Annotated Mild Cc1ccc(CNC(=O)[C@@H](C[C@H](C)O)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000096915150 JK Annotated Anodyne C[C@@H](O)C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000096915152 JK Annotated Anodyne Cc1ccc(CNC(=O)[C@@H](C[C@@H](C)O)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000096915154 JK Annotated Anodyne CN(CCC=C(c1ccccc1)c1ccccc1)[C@@H](CCO)C(=O)NCc1ccccc1Cl ZINC000096915157 JK Annotated Anodyne CN(CCC=C(c1ccccc1)c1ccccc1)[C@H](CCO)C(=O)NCc1ccccc1Cl ZINC000096915158 JK Annotated Anodyne CN(CCCC(c1ccccc1)c1ccccc1)[C@@H](CCO)C(=O)NCc1ccccc1Cl ZINC000096915167 JK Annotated Anodyne CN(CCCC(c1ccccc1)c1ccccc1)[C@H](CCO)C(=O)NCc1ccccc1Cl ZINC000096915168 JK Annotated Anodyne O=C(NCc1ccccc1Cl)[C@H](CCO)N1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000096915187 JK Annotated Anodyne O=C(NCc1ccccc1Cl)[C@@H](CCO)N1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000096915188 JK Annotated Anodyne CO[C@H]1C=C[C@H]2C/C=C\C[C@H](c3ccc(-c4ccccc4C(F)(F)F)cc3)OC(=O)C[C@@H]1O2 ZINC000096915228 JK Annotated Anodyne COc1ccc(CO[C@H]2C=C[C@H]3C/C=C\C[C@H](c4ccc5ccccc5c4)OC(=O)C[C@@H]2O3)cc1 ZINC000096915236 JK Annotated Anodyne O=S(=O)(Cc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 ZINC000096915284 JK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000096915306 JK Annotated Anodyne O=C(OCCO)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000096915311 JK Annotated Anodyne C[C@@H](c1ccc2oc3ccccc3c2c1)n1cc[n+](CC(=O)c2ccc(Br)cc2)c1 ZINC000096915312 JK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1cc[n+](CC(=O)c2ccc(Br)cc2)c1 ZINC000096915313 JK Annotated Mild Cc1n([C@@H](C)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000096915328 JK Annotated Mild Cc1n([C@H](C)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000096915329 JK Annotated Mild COc1ccc(C(=O)C[n+]2cn([C@@H](C)c3ccc4oc5ccccc5c4c3)c3ccccc32)cc1 ZINC000096915728 JK Annotated Mild COc1ccc(C(=O)C[n+]2cn([C@H](C)c3ccc4oc5ccccc5c4c3)c3ccccc32)cc1 ZINC000096915730 JK Annotated Mild C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000096915749 JK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000096915751 JK Annotated Mild O=[N+]([O-])c1ccc(C[n+]2ccn([C@@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1 ZINC000096915758 JK Annotated Bother O=[N+]([O-])c1ccc(C[n+]2ccn([C@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1 ZINC000096915760 JK Annotated Bother O=C(C[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc(O)cc1 ZINC000096915766 JK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc(O)cc1 ZINC000096915768 JK Annotated Mild COc1ccc(C(=O)C[n+]2ccn([C@@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1 ZINC000096915770 JK Annotated Mild COc1ccc(C(=O)C[n+]2ccn([C@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1 ZINC000096915772 JK Annotated Mild O=C(C[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc(F)cc1 ZINC000096915778 JK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc(F)cc1 ZINC000096915780 JK Annotated Mild O=C(C[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc2ccccc2c1 ZINC000096915791 JK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc2ccccc2c1 ZINC000096915793 JK Annotated Mild Cc1n([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000096915799 JK Annotated Bother Cc1n([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000096915801 JK Annotated Bother Cc1n([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(O)cc1 ZINC000096915803 JK Annotated Mild Cc1n([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(O)cc1 ZINC000096915805 JK Annotated Mild COc1ccc(C(=O)C[n+]2ccn([C@@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2C)cc1 ZINC000096915807 JK Annotated Mild COc1ccc(C(=O)C[n+]2ccn([C@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2C)cc1 ZINC000096915809 JK Annotated Mild Cc1n([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000096915816 JK Annotated Mild Cc1n([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000096915818 JK Annotated Mild Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2nc3c(Cl)ccc(Cl)c3nc12 ZINC000096915906 JK Annotated Bother COc1cc(OC)cc([C@H]2[C@H](c3ccccc3)c3c(OC)cc(OC)cc3[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000096916270 JK Annotated Anodyne COc1cc(OC)cc([C@@H]2[C@H]([C@H](O)c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 ZINC000096916272 JK Annotated Anodyne COc1cc(OC)cc([C@H]2[C@H](c3ccccc3)c3c(OC)cc(OC)cc3[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000096916274 JK Annotated Anodyne COc1cc(OC)cc([C@@H]2[C@H]([C@@H](O)c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 ZINC000096916275 JK Annotated Anodyne Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1NC(=O)c1scc(C)c1Cl ZINC000096916326 JK Annotated Anodyne CCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4ccccc4)c3)n2c2ccccc21 ZINC000096916684 JK Annotated Anodyne N[C@H](c1ccccc1)[C@H](NC(=O)C1(NC(=O)c2ccccc2)C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000096916887 JK Annotated Anodyne CCCCCCCCC/C=C/c1cc2c(cc1O)[C@]1(C#N)CCC3(OCCO3)C3=CO[C@H](C2)[C@@H]31 ZINC000096916997 JK Annotated Mild Clc1cc(Cl)c(Oc2ccc(-c3nnc(CCc4c[nH]c5ccccc45)o3)cc2)nc1Cl ZINC000096917116 JK Annotated Anodyne Clc1cc(Cl)c(Oc2ccc(-c3nnc(CCCc4c[nH]c5ccccc45)o3)cc2)nc1Cl ZINC000096917118 JK Annotated Anodyne CNC[C@@H](Cc1ccccc1)NC[C@@H](Cc1ccc2ccccc2c1)NCC1CCC(C)CC1 ZINC000096917599 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C(=O)O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 ZINC000096917633 JK Annotated Anodyne c1ccc2c(Cn3cc(CCCCc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1 ZINC000096917657 JK Annotated Anodyne COc1c(Cl)c(C)c(Cl)c(O)c1[C@@H]1c2c(CC=C(C)C)c(O)cc(O)c2C(=O)N1C ZINC000096917823 JK Annotated Clean COc1c(Cl)c(C)c(Cl)c(O)c1[C@H]1c2c(CC=C(C)C)c(O)cc(O)c2C(=O)N1C ZINC000096917824 JK Annotated Clean COc1cc(OC)c(CC=C(C)C)c(C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC)c1C=O ZINC000096917833 JK Annotated Anodyne CNC[C@@H](Cc1ccccc1)NC[C@H](Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CC1 ZINC000096921302 JK Annotated Anodyne CNC[C@@H](Cc1ccccc1)NC[C@@H](Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CC1 ZINC000096921304 JK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@H](Cc1ccc2ccccc2c1)NCC1CCC(C)CC1 ZINC000096921313 JK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@H](Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CC1 ZINC000096921314 JK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@H](Cc1ccc2ccccc2c1)NCCC1CCCCC1 ZINC000096921315 JK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)NCCC1CCCCC1 ZINC000096921319 JK Annotated Anodyne COc1nc(N(C)C)nc(CCCCCCCCCCOCC23CC4CC(CC(C4)C2)C3)c1O ZINC000096921433 JK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)C[C@@H](NCCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000096921618 JK Annotated Anodyne CCN(CC)CCCN1CCC2(N3CCN(C)CC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000096921620 JK Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(/C=N/c3ccc(S(N)(=O)=O)cc3)c(Cl)c2c1 ZINC000096921656 JK Annotated Mild COc1cc(C(=O)O)c(/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)cc1OC ZINC000096921732 JK Annotated Anodyne COc1ccc(-c2oc3cccc(OC)c3c2C(=O)c2ccc(OC(=O)C(C)(C)C)c(OC)c2)cc1 ZINC000096922078 JK Annotated Anodyne Fc1ccc(CN(Cc2nc3ccccc3[nH]2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 ZINC000096922173 JK Annotated Mild Fc1ccccc1N(CCCCn1c2ccccc2c2ccccc21)Cc1nc2ccccc2[nH]1 ZINC000096922178 JK Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCCc3ccc(F)cc3)c(OC)c2)cc1OC ZINC000096922270 JK Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCCc3ccc(F)c(F)c3)c(OC)c2)cc1OC ZINC000096922271 JK Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000096922272 JK Annotated Anodyne CCc1cncc(CCOc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)c1 ZINC000096922274 JK Annotated Anodyne CCN1C(=O)[C@@H](c2ccc(O)c(OC)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922316 JK Annotated Anodyne CCN1C(=O)[C@H](c2ccc(O)c(OC)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922317 JK Annotated Anodyne CO[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000096922402 JK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccc(F)cc3)c(OC)c2)cc1OC ZINC000096922506 JK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccccc3F)c(OC)c2)cc1OC ZINC000096922508 JK Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC(=O)C3CCCCC3)c(OC)c2)cc1OC ZINC000096922515 JK Annotated Anodyne COc1ccc(CCOc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1 ZINC000096922524 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OCC(C)C)[C@@H](C)[C@@H](C)C2 ZINC000096922555 JK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OCC(C)C)[C@@H](C)[C@@H](C)C2 ZINC000096922556 JK Annotated Anodyne c1ccc(CCCn2c3ccccc3c3cc[n+](Cc4ccccc4)c(-c4ccccc4)c32)cc1 ZINC000096922753 JK Annotated Anodyne COc1ccc(-c2c3c(cc[n+]2Cc2ccccc2)c2ccccc2n3CCCc2ccccc2)cc1 ZINC000096922754 JK Annotated Anodyne c1ccc(CCCn2c3ccccc3c3cc[n+](Cc4ccccc4)c(-c4ccsc4)c32)cc1 ZINC000096922755 JK Annotated Anodyne Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(C)cc4)nc4c(C)cccn34)nn2)cc1 ZINC000096922867 JK Annotated Mild COC(=O)N(OC)c1ccccc1COc1nc(Nc2ccc(F)cc2F)nc(C(F)(F)F)c1C ZINC000096922917 JK Annotated Anodyne CNC(=O)N(OC)c1ccccc1COc1nc(Nc2ccc(F)cc2F)nc(C(F)(F)F)c1C ZINC000096922921 JK Annotated Anodyne Cc1ccc2sc(-n3c(/C=C/c4ccccc4)nc4sc5c(c4c3=O)CCCC5)nc2c1 ZINC000096922947 JK Annotated Anodyne O=c1c2c3c(sc2nc(/C=C/c2ccccc2)n1-c1nc2cc([N+](=O)[O-])ccc2s1)CCCC3 ZINC000096922948 JK Annotated Bother O=c1ncn(Cc2ccc(Br)cc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12 ZINC000096923018 JK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12 ZINC000096923021 JK Annotated Anodyne O=c1ncn(Cc2ccc(F)cc2F)c2cc(F)c(Oc3ncccc3C(F)(F)F)cc12 ZINC000096923022 JK Annotated Anodyne CN(C)c1ccc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000096923080 JK Annotated Clean CS(=O)(=O)c1ccc(C2=C(c3ccccc3Cl)C(=O)O/C2=C\c2cccc3ccccc23)cc1 ZINC000096923083 JK Annotated Anodyne CC(=O)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1 ZINC000096923200 JK Annotated Anodyne CS(=O)(=O)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 ZINC000096923202 JK Annotated Anodyne Cc1cc2nc(NC(=O)c3cc(-c4ccc(F)cc4)n4nc(-c5ccccc5)cc4n3)sc2cc1C ZINC000096923267 JK Annotated Anodyne C[C@H](NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3ncccc23)c1)c1ccccc1 ZINC000096923314 JK Annotated Anodyne O=C1C[C@@H](c2cccs2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1 ZINC000096923468 JK Annotated Anodyne O=C1C[C@H](c2cccs2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1 ZINC000096923469 JK Annotated Anodyne CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1-3 ZINC000096923511 JK Annotated Anodyne COc1ccc(NC(=O)/C=C/c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)cc1 ZINC000096923513 JK Annotated Anodyne Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2Oc2ccnc(Nc3ccc(C#N)cc3)n2)c1 ZINC000096923771 JK Annotated Mild CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC ZINC000096923781 JK Annotated Anodyne CC[C@@H](C)c1cc(/C=C/C(=O)c2ccc(OC(C)(C)C(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924064 JK Annotated Mild CC[C@H](C)c1cc(/C=C/C(=O)c2ccc(OC(C)(C)C(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924065 JK Annotated Mild Cc1ccc(C(=O)c2cc(Cl)ccc2Oc2cc(C)nc(Nc3ccc(C#N)cc3)n2)cc1 ZINC000096924183 JK Annotated Mild Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2Oc2cc(C)nc(Nc3ccc(C#N)cc3)n2)c1 ZINC000096924184 JK Annotated Mild Cc1cc(Oc2ccc(Cl)cc2C(=O)c2ccccc2C)nc(Nc2ccc(C#N)cc2)n1 ZINC000096924185 JK Annotated Mild CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)sc1C(=O)O ZINC000096924189 JK Annotated Anodyne CCCN(CCc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O ZINC000096924202 JK Annotated Anodyne CCCCN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1 ZINC000096924203 JK Annotated Anodyne CCCCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O ZINC000096924204 JK Annotated Anodyne CCCCN(CCc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O ZINC000096924205 JK Annotated Anodyne COc1ccc(CN2OC(C)(C)[C@H]3COc4ccc5c(=O)c(-c6ccccc6)c(C)oc5c4[C@H]32)cc1 ZINC000096924232 JK Annotated Anodyne C=C1CC[C@@H]2[C@]3(C)CO[C@@H](c4ccc(N(C)C)cc4)O[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924233 JK Annotated Mild CCCCC#Cc1c(-c2ccccc2)oc(=O)c2c1OC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(O)c1 ZINC000096924370 JK Annotated Mild CCCCC#Cc1c(-c2ccccc2)oc(=O)c2c1OC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(O)c1 ZINC000096924371 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(-c3ccccc3)c(-c3ccccc3)oc(=O)c1[C@H]2c1cccc(O)c1 ZINC000096924372 JK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(-c3ccccc3)c(-c3ccccc3)oc(=O)c1[C@@H]2c1cccc(O)c1 ZINC000096924373 JK Annotated Mild CCOC(=O)C1=C(C)Oc2c(-c3ccc(O)cc3)c(-c3ccccc3)oc(=O)c2[C@@H]1c1cccc(F)c1 ZINC000096926807 JK Annotated Anodyne CCOC(=O)C1=C(C)Oc2c(-c3ccc(O)cc3)c(-c3ccccc3)oc(=O)c2[C@H]1c1cccc(F)c1 ZINC000096926808 JK Annotated Anodyne CC[C@H]1C2=C(CC(C)(C)CC2=O)Oc2c(I)c(-c3ccccc3)oc(=O)c21 ZINC000096926815 JK Annotated Mild CC[C@@H]1C2=C(CC(C)(C)CC2=O)Oc2c(I)c(-c3ccccc3)oc(=O)c21 ZINC000096926816 JK Annotated Mild C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C\c3ccc(O)c(OC)c3)[C@@H]2CC[C@@]1(C)O ZINC000096927022 JK Annotated Mild Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)nc2sc3c(c12)CCCC3 ZINC000096927332 JK Annotated Anodyne Nc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)nc2sc3c(c12)CCCC3 ZINC000096927338 JK Annotated Anodyne Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc(N)c4c(C)c(C)sc4n3)s2)cc1 ZINC000096927348 JK Annotated Anodyne Cc1sc2nc(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc(N)c2c1C ZINC000096927349 JK Annotated Anodyne O=C(CSc1nnc2sc3ccccc3n12)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000096927371 JK Annotated Anodyne O=C(CCSc1nnc2sc3ccccc3n12)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000096927373 JK Annotated Anodyne O=C(CCn1nc2sc3ccccc3n2c1=S)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000096927378 JK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccc(O)cc2)c1 ZINC000096927430 JK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2cccc(O)c2)c1 ZINC000096927431 JK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccccc2O)c1 ZINC000096927432 JK Annotated Anodyne Fc1ccc(-c2nc3ccc(Sc4ccccc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927434 JK Annotated Anodyne Fc1ccc(-c2nc3ccc(N4CCOCC4)nn3c2-c2ccccc2-c2ccccc2)cc1 ZINC000096927436 JK Annotated Anodyne Fc1ccc(-c2nc3ccc(N4CCOCC4)nn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927437 JK Annotated Anodyne Fc1ccc(-c2nc3ccc(N4CCOCC4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927438 JK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1 ZINC000096927446 JK Annotated Anodyne COc1cccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)c1 ZINC000096927447 JK Annotated Anodyne COc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927448 JK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccccc2)c1 ZINC000096927450 JK Annotated Anodyne O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1Cc1nc2ccccc2[nH]1 ZINC000096927505 JK Annotated Clean C=C1CC[C@@H]2[C@]3(C)CO[C@@H](c4ccc([N+](=O)[O-])cc4)O[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096927612 JK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CO[C@@H](c4ccc(C(F)(F)F)cc4)O[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096927613 JK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CO[C@@H](c4ccc(OC)cc4)O[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096927615 JK Annotated Mild Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2 ZINC000096927728 JK Annotated Anodyne CC1(C)CC2=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]23C[C@@H]1OC3=O ZINC000096927821 JK Annotated Anodyne CC1(C)CC[C@@]2(C(=O)O)C(=C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000096927824 JK Annotated Anodyne CC1(C)CC[C@@]2(C(=O)O)C(=C3C=C[C@@H]4[C@]5(C)[C@@H](CC[C@@]4(C)[C@]3(C)C[C@H]2O)C(C)(C)[C@@H](O)C[C@H]5O)C1 ZINC000096927826 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccccc2C)N=C14 ZINC000096927866 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc(C)c2)N=C14 ZINC000096927867 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(C)cc2)N=C14 ZINC000096927868 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(OC)cc2)N=C14 ZINC000096927869 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc([N+](=O)[O-])c2)N=C14 ZINC000096927870 JK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(F)cc2F)N=C14 ZINC000096927872 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cc(F)ccc2F)N=C14 ZINC000096927873 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc(C)c2C)N=C14 ZINC000096927880 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(C)cc2C)N=C14 ZINC000096927881 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cc(C)ccc2C)N=C14 ZINC000096927882 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2c(C)cccc2C)N=C14 ZINC000096927883 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(C)c(C)c2)N=C14 ZINC000096927884 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cc(C)cc(C)c2)N=C14 ZINC000096927885 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2F)c14 ZINC000096927887 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc(F)c2)c14 ZINC000096927888 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(F)cc2)c14 ZINC000096927889 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2Cl)c14 ZINC000096927890 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc(Cl)c2)c14 ZINC000096927891 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(Cl)cc2)c14 ZINC000096927892 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2C)c14 ZINC000096927896 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc(C)c2)c14 ZINC000096927897 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(C)cc2)c14 ZINC000096927898 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2[N+](=O)[O-])c14 ZINC000096927899 JK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc([N+](=O)[O-])c2)c14 ZINC000096927900 JK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c14 ZINC000096927901 JK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(F)cc2F)c14 ZINC000096927902 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cc(F)ccc2F)c14 ZINC000096927903 JK Annotated Anodyne CC1=C2CC(C)(C)/C=C/[C@H](OC(=S)Sc3ccccc3)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O ZINC000096928268 JK Annotated Mild CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)C[C@@H]2[C@@H]1OC(=S)Sc1ccccc1)[C@@H](C)C3=O ZINC000096928269 JK Annotated Anodyne CC1=C2CC(C)(C)/C(c3ccc(C(F)(F)F)cc3)=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O ZINC000096928274 JK Annotated Mild O=C1N/C(=N/c2ccc(Cl)c(C(=O)O)c2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000096928279 JK Annotated Mild O=C1N/C(=N/c2ccc(Cl)c(C(=O)O)c2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000096928280 JK Annotated Mild Cc1cc(-c2ccc(/C=C3\S/C(=N\c4ccccc4C(=O)O)NC3=O)o2)c([N+](=O)[O-])cc1C ZINC000096928283 JK Annotated Mild CC(C)(C)OC(=O)Nc1cc(NC(=O)OCc2ccccc2)c2nc(-c3ccccc3)[nH]c2c1 ZINC000096928360 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc(C)c2C)c14 ZINC000096928558 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(C)cc2C)c14 ZINC000096928559 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cc(C)ccc2C)c14 ZINC000096928560 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2c(C)cccc2C)c14 ZINC000096928561 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(C)c(C)c2)c14 ZINC000096928562 JK Annotated Anodyne CCOC(=O)c1c(-c2cc3c(ccc4ccccc43)oc2=O)nn(-c2ccccc2)c1C(=O)OCC ZINC000096928607 JK Annotated Bother Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(Br)cc4F)s3)nc2n1 ZINC000096928617 JK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3ccccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096928720 JK Annotated Anodyne CCN1C(=O)[C@]2(CCc3ccccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096928721 JK Annotated Anodyne CCN1C(=O)N(c2cc(C)c(O)c(Cl)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096928730 JK Annotated Anodyne COc1ccc(-n2nnc(/C=C\C=C\N3c4ccccc4Sc4ccc(Cl)cc43)n2)cc1 ZINC000096928802 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cc(C)cc(C)c2)c14 ZINC000096928872 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccccc2F)N=C14 ZINC000096928874 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc(F)c2)N=C14 ZINC000096928875 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(F)cc2)N=C14 ZINC000096928876 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccccc2Cl)N=C14 ZINC000096928877 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc(Cl)c2)N=C14 ZINC000096928878 JK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc(Cl)cc2)N=C14 ZINC000096928879 JK Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000096928939 JK Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000096928940 JK Annotated Anodyne O=C(O)[C@H](Cc1cc2ccccc2[nH]1)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000096928941 JK Annotated Anodyne O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)n1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000096928942 JK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cnccc3C(F)(F)F)cc12 ZINC000096928977 JK Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(c3ccccc3Cl)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000096929030 JK Annotated Bother COc1ccccc1/C=C1\OC(=O)C(c2ccccc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000096929031 JK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3c(O)cccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929177 JK Annotated Anodyne CCN1C(=O)[C@]2(CCc3c(O)cccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929178 JK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929179 JK Annotated Anodyne CCN1C(=O)[C@]2(CCc3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929180 JK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3ccc(O)cc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929181 JK Annotated Anodyne CCN1C(=O)[C@]2(CCc3ccc(O)cc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929182 JK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3cc(OC)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929183 JK Annotated Anodyne CCN1C(=O)[C@]2(CCc3cc(OC)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929184 JK Annotated Anodyne CCN1C(=O)[C@@]2(C[C@H](C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929199 JK Annotated Anodyne CCN1C(=O)[C@]2(C[C@H](C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929200 JK Annotated Anodyne CCN1C(=O)[C@@]2(C[C@@H](C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929201 JK Annotated Anodyne CCN1C(=O)[C@]2(C[C@@H](C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929202 JK Annotated Anodyne CC[C@@H]1C[C@]2(C(=O)N(CC)c3ccc(C(F)(F)F)cc3N(c3ccccc3)C2=O)c2ccc(O)cc21 ZINC000096929203 JK Annotated Anodyne CC[C@H]1C[C@]2(C(=O)N(CC)c3ccc(C(F)(F)F)cc3N(c3ccccc3)C2=O)c2ccc(O)cc21 ZINC000096929204 JK Annotated Anodyne CC[C@@H]1C[C@@]2(C(=O)N(CC)c3ccc(C(F)(F)F)cc3N(c3ccccc3)C2=O)c2ccc(O)cc21 ZINC000096929205 JK Annotated Anodyne CC[C@H]1C[C@@]2(C(=O)N(CC)c3ccc(C(F)(F)F)cc3N(c3ccccc3)C2=O)c2ccc(O)cc21 ZINC000096929206 JK Annotated Anodyne COc1ccc(C(/C=C/CN[C@@H](C)CC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000096929389 JK Annotated Anodyne COc1ccc(C(/C=C/CN[C@H](C)CC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000096929390 JK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000096929594 JK Annotated Mild COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(C)c[nH]c2=O)cc1C(C)(C)C ZINC000096929685 JK Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C ZINC000096929686 JK Annotated Anodyne O=c1c2c([nH]n1-c1ccccc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000096929721 JK Annotated Anodyne O=c1c2c([nH]n1-c1ccccc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000096929722 JK Annotated Anodyne O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Cl)cc1 ZINC000096929723 JK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Cl)cc1 ZINC000096929724 JK Annotated Bother Cc1cccc(Oc2nc(-c3ccc(NC(=S)Nc4ccccc4)cc3)nc3ccccc23)c1 ZINC000096929753 JK Annotated Anodyne Cc1cccc(Oc2nc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4)cc3)nc3ccccc23)c1 ZINC000096929754 JK Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc(-c3nc(Oc4cccc(C)c4)c4ccccc4n3)cc2)cc1 ZINC000096929757 JK Annotated Anodyne FC(F)(F)c1cccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)c1 ZINC000096929822 JK Annotated Anodyne Clc1cccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)c1 ZINC000096929823 JK Annotated Anodyne Fc1ccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)cc1Cl ZINC000096929824 JK Annotated Anodyne Fc1ccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)cc1F ZINC000096929825 JK Annotated Anodyne Cc1ccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 ZINC000096929942 JK Annotated Mild Cc1cccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)c1 ZINC000096929944 JK Annotated Mild N#CC(C(=O)c1cc(F)c(Cl)nc1Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929987 JK Annotated Unstable COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)cccc2=O)cc1OCc1ccccc1 ZINC000096930133 JK Annotated Anodyne COc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000096930136 JK Annotated Anodyne Oc1cc(O)c(-c2cc(-c3ccc(Cl)cc3)on2)cc1-c1cc(-c2ccc(Cl)cc2)on1 ZINC000096930217 JK Annotated Anodyne O=c1oc2ccccc2cc1Sc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000096930268 JK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2cc3ccccc3oc2=O)cc1 ZINC000096930269 JK Annotated Anodyne O=c1oc2ccccc2cc1Sc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 ZINC000096930270 JK Annotated Anodyne COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2cc3ccccc3oc2=O)cc1 ZINC000096930273 JK Annotated Anodyne COc1ccc(C(=O)ON=C2C[C@@H](c3ccc(OC)cc3)N(C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000096931338 JK Annotated Mild COc1ccc(C(=O)ON=C2C[C@H](c3ccc(OC)cc3)N(C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000096931340 JK Annotated Mild COc1ccc(C(=O)ON=C2C[C@@H](c3ccc(OC)cc3)N(C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000096931342 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(F)cc3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931374 JK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3ccc(F)cc3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931376 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(F)cc3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931378 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cccc(Cl)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931391 JK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3cccc(Cl)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931393 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cccc(Cl)c3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931395 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccccc3O)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931410 JK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3ccccc3O)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931412 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccccc3O)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931414 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cccc(O)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931416 JK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3cccc(O)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931418 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cccc(O)c3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931420 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(O)cc3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931422 JK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3ccc(O)cc3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931424 JK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(O)cc3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931426 JK Annotated Mild CCN(CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21 ZINC000096931924 JK Annotated Anodyne CCN(CC)CCCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21 ZINC000096931926 JK Annotated Anodyne FC(F)(F)c1ccc2c(c1)/c(=N/c1ccc(-c3ccccc3)cc1)ccn2CCCN1CCCCC1 ZINC000096931930 JK Annotated Anodyne CCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21 ZINC000096931950 JK Annotated Anodyne FC(F)(F)c1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1 ZINC000096931951 JK Annotated Anodyne FC(F)(F)c1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCCN3CCCCC3)c2c1 ZINC000096931953 JK Annotated Anodyne O=C(C1CCCCC1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000096932253 JK Annotated Bother Cc1ccc(NC(=S)N2CCc3c(c(-c4ccccc4)nn3C(=O)C3CCCCC3)C2)cc1 ZINC000096932254 JK Annotated Anodyne COc1ccc(NC(=S)N2CCc3c(c(-c4ccccc4)nn3C(=O)C3CCCCC3)C2)cc1 ZINC000096932255 JK Annotated Anodyne O=C(C1CCCCC1)n1nc(-c2ccccc2)c2c1CCN(C(=S)NCc1ccccc1)C2 ZINC000096932256 JK Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)C2CCCCC2)C1 ZINC000096932263 JK Annotated Bother O=C(C1CCCCC1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc(Cl)cc1)C2 ZINC000096932270 JK Annotated Anodyne O=C(C1CCCCC1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc(F)cc1)C2 ZINC000096932271 JK Annotated Anodyne O=C(c1ccccc1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc(Cl)cc1)C2 ZINC000096932273 JK Annotated Anodyne O=C(c1ccccc1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc(F)cc1)C2 ZINC000096932274 JK Annotated Anodyne Cc1ccc(NC(=S)N2CCc3c(c(-c4ccccc4)nn3C(=O)c3ccccc3)C2)cc1 ZINC000096932275 JK Annotated Anodyne Cc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc(C)c3o2)cc1 ZINC000096932438 JK Annotated Anodyne Brc1ccc2[nH]cc(C(c3c[nH]c4ccc(Br)cc34)C3CCCCC3)c2c1 ZINC000096932499 JK Annotated Anodyne CC(c1ccccc1)(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000096932508 JK Annotated Anodyne Brc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccc(Br)cc34)c2c1 ZINC000096932524 JK Annotated Anodyne Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1 ZINC000096932525 JK Annotated Anodyne Oc1cccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1 ZINC000096932526 JK Annotated Anodyne Cc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)N(c2ccc(F)cc2)C2(CCCCC2)S3)cc1 ZINC000096932570 JK Annotated Anodyne CC(=O)Nc1nc2c(c(-c3ccc(C)cc3)c1C#N)SC1(CCCCC1)N2c1ccc(F)cc1 ZINC000096932571 JK Annotated Mild Cc1cccc2c(Oc3ccc(/C=C/C(=O)/C=C/c4ccc(Cl)cc4Cl)cc3)ncnc12 ZINC000096932582 JK Annotated Mild Cc1cccc2c(Oc3ccc(/C=C/C(=O)/C=C/c4cc([N+](=O)[O-])ccc4Cl)cc3)ncnc12 ZINC000096932584 JK Annotated Mild O=C(/C=C/c1ccc(Oc2ncnc3ccccc23)cc1)/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000096932593 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccccc1 ZINC000096932641 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccccc1 ZINC000096932642 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccccc1Cl ZINC000096932643 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccccc1Cl ZINC000096932644 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccc(Cl)cc1 ZINC000096932645 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccc(Cl)cc1 ZINC000096932646 JK Annotated Mild COc1ccc([C@@H]2CC([C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)=NN2C(C)=O)cc1 ZINC000096932653 JK Annotated Mild COc1ccc([C@H]2CC([C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)=NN2C(C)=O)cc1 ZINC000096932654 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccccc1 ZINC000096932655 JK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccccc1 ZINC000096932656 JK Annotated Mild CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c(C(C)C)c1 ZINC000096932735 JK Annotated Clean COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2-c2ccccc2C3)cc1 ZINC000096932766 JK Annotated Anodyne C=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCCCC ZINC000096932789 JK Annotated Mild CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@H](c2ccccc2)N2C(=N1)Sc1ccccc12 ZINC000096932864 JK Annotated Anodyne CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](c2ccccc2)N2C(=N1)Sc1ccccc12 ZINC000096932865 JK Annotated Anodyne N#Cc1c(Cl)c(Cl)c(Nc2ccc(N3CCCCC3)c3c(=O)[nH]cnc23)c(C#N)c1Cl ZINC000096932870 JK Annotated Mild CCN(CC)c1ccc(Nc2c(Cl)c(Cl)c(C#N)c(Cl)c2C#N)c2[nH]cnc(=O)c12 ZINC000096932872 JK Annotated Mild Cc1ccccc1Nc1ccc(Nc2c(Cl)c(F)c(C#N)c(F)c2C#N)c2nc[nH]c(=O)c12 ZINC000096932874 JK Annotated Mild Cc1cccc(Nc2ccc(Nc3c(Cl)c(F)c(C#N)c(F)c3C#N)c3nc[nH]c(=O)c23)c1 ZINC000096932875 JK Annotated Mild N#Cc1c(F)c(Cl)c(Nc2ccc(Nc3ccc(Cl)cc3)c3c(=O)[nH]cnc23)c(C#N)c1F ZINC000096932876 JK Annotated Mild COc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4cc(OC)c(OC)c(OC)c4s3)cc2)cc1 ZINC000096932997 JK Annotated Clean COc1cc2nc(-c3ccc(-n4c(C)ccc4-c4ccc(C)cc4)cc3)sc2c(OC)c1OC ZINC000096933013 JK Annotated Clean COc1cc2nc(-c3ccc(-n4c(C)ccc4-c4ccc(F)cc4)cc3)sc2c(OC)c1OC ZINC000096933014 JK Annotated Clean CCOC(=O)c1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)[nH]c2ccccc2c1=O ZINC000096933117 JK Annotated Anodyne CCCCCCCCNC(=S)N/N=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000096933190 JK Annotated Mild CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC(F)(F)F)cc2)c1Br ZINC000096933263 JK Annotated Anodyne CCOC(=O)c1[nH]c(Br)c(-c2ccc3cc(OCC)ccc3c2)c1Br ZINC000096933267 JK Annotated Anodyne COc1cccc(CNCc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccccc23)c1 ZINC000096933312 JK Annotated Anodyne COc1ccc(CNCc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccccc23)cc1 ZINC000096933315 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCC[C@@H](C)C3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933317 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCC[C@H](C)C3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933318 JK Annotated Anodyne CC1CCN(Cc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccc(F)cc23)CC1 ZINC000096933319 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CNc3nc4ccccc4[nH]3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933320 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CNc3cnccn3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933321 JK Annotated Anodyne CC1CCN(Cc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccccc23)CC1 ZINC000096933322 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3C[C@H](C)O[C@H](C)C3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933325 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933326 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933327 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CNCCN3CCCC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933328 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCCC[C@H]3C)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933329 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCCC[C@@H]3C)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933330 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCC[C@@H](C)C3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933331 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCC[C@H](C)C3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933332 JK Annotated Anodyne CC(C)Sc1nnc(-c2c(CNCCN3CCCC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933342 JK Annotated Anodyne N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933465 JK Annotated Reactive N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933466 JK Annotated Reactive N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933467 JK Annotated Reactive N#Cc1c(-c2ccccc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933468 JK Annotated Reactive N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933481 JK Annotated Reactive N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933482 JK Annotated Reactive N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933483 JK Annotated Reactive N#Cc1c(-c2ccccc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933484 JK Annotated Reactive N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933485 JK Annotated Reactive N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933486 JK Annotated Reactive N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933487 JK Annotated Reactive N#Cc1c(-c2cccc(O)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933488 JK Annotated Reactive N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933489 JK Annotated Reactive N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933490 JK Annotated Reactive N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933491 JK Annotated Reactive N#Cc1c(-c2ccc(O)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933492 JK Annotated Reactive Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2)c1C#N ZINC000096933501 JK Annotated Reactive Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2)c1C#N ZINC000096933502 JK Annotated Reactive Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2)c1C#N ZINC000096933503 JK Annotated Reactive Cc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)nc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2)c1C#N ZINC000096933504 JK Annotated Reactive Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@H]3c3ccccc3)c2C#N)c1 ZINC000096933505 JK Annotated Reactive Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 ZINC000096933506 JK Annotated Reactive Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@H]3c3ccccc3)c2C#N)c1 ZINC000096933507 JK Annotated Reactive Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 ZINC000096933508 JK Annotated Reactive Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@H]3c3ccccc3)c2C#N)cc1 ZINC000096933509 JK Annotated Reactive Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)cc1 ZINC000096933510 JK Annotated Reactive Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@H]3c3ccccc3)c2C#N)cc1 ZINC000096933511 JK Annotated Reactive Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@@H]3c3ccccc3)c2C#N)cc1 ZINC000096933512 JK Annotated Reactive CSc1ccc(SC2=C(Sc3ccc(SC)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000096933827 JK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C#N)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 ZINC000096933835 JK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C#N)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 ZINC000096933841 JK Annotated Reactive O=C(NCCc1ccc(N2CCCCC2)cc1)c1[nH]c2ccc(Cl)cc2c1CC1CCCCC1 ZINC000096933911 JK Annotated Anodyne C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 ZINC000096934053 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 ZINC000096934054 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 ZINC000096934055 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 ZINC000096934056 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 ZINC000096934085 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Br)cc1 ZINC000096934086 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 ZINC000096934087 JK Annotated Reactive C[C@]12C=C3C(=O)O[C@@H](c4ccc(Cl)cc4)C[C@@]3(OO1)O[C@H]2c1ccc(Br)cc1 ZINC000096934088 JK Annotated Reactive COc1ccc([C@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934099 JK Annotated Reactive COc1ccc([C@@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934100 JK Annotated Reactive C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@@H]2c1ccc(Cl)cc1 ZINC000096934101 JK Annotated Reactive C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@H]2c1ccc(Cl)cc1 ZINC000096934102 JK Annotated Reactive O=C(Nc1ccccc1)Sc1nnc(N(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)s1 ZINC000096934144 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934464 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934466 JK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934467 JK Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000096934488 JK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000096934489 JK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(OC(C)=O)c2ncccc12 ZINC000096934490 JK Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000096934491 JK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000096934492 JK Annotated Clean CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccccc1 ZINC000096934493 JK Annotated Reactive CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccccc1 ZINC000096934494 JK Annotated Reactive CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@H]3c1ccccc1 ZINC000096934495 JK Annotated Reactive CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@H]3c1ccccc1 ZINC000096934496 JK Annotated Reactive CCCCCc1ccc(-c2cn([C@@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934558 JK Annotated Mild CCCCCc1ccc(-c2cn([C@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934559 JK Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934626 JK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934627 JK Annotated Anodyne CO[C@@]12C=C(c3ccc(OC(=O)OC(C)(C)C)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O ZINC000096934679 JK Annotated Clean CO[C@]12C=C(c3ccc(OC(=O)OC(C)(C)C)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O ZINC000096934680 JK Annotated Clean CO[C@@]12C=C(c3ccc(OC(=O)OC(C)(C)C)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O ZINC000096934681 JK Annotated Clean CO[C@]12C=C(c3ccc(OC(=O)OC(C)(C)C)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O ZINC000096934682 JK Annotated Clean O=S(=O)(Nc1nccs1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 ZINC000096935005 JK Annotated Anodyne FC(F)(F)c1cc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)cc(C(F)(F)F)c1 ZINC000096935190 JK Annotated Anodyne CCCCCCCCCCCCCCCCNCn1nc(-c2ccc3c(c2)OCCO3)oc1=S ZINC000096935211 JK Annotated Mild COc1ccc(-c2nnc(N/N=C/c3ccc(Cl)cc3Cl)nc2-c2ccc(OC)cc2)cc1 ZINC000096935220 JK Annotated Mild COc1ccc(-c2nnc(N/N=C/c3cc4ccccc4[nH]3)nc2-c2ccc(OC)cc2)cc1 ZINC000096935221 JK Annotated Mild COc1ccc(-c2nnc(N/N=C/c3c(Cl)cccc3[N+](=O)[O-])nc2-c2ccc(OC)cc2)cc1 ZINC000096935222 JK Annotated Mild O=C1N(c2ccccc2)c2[nH]c(=S)nc(/N=C/c3ccc(Cl)cc3)c2[C@@H]2CCCCCN12 ZINC000096935397 JK Annotated Mild O=C1N(c2ccccc2)c2[nH]c(=S)nc(/N=C/c3ccc(Cl)cc3)c2[C@H]2CCCCCN12 ZINC000096935398 JK Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1F ZINC000096935521 JK Annotated Anodyne N#Cc1c(Cl)c(Cl)c(Nc2ccc(Nc3ccc(F)cc3)c3c(=O)[nH]cnc23)c(C#N)c1Cl ZINC000096937281 JK Annotated Mild Cc1ccc(Nc2ccc(Nc3c(Cl)c(Cl)c(C#N)c(Cl)c3C#N)c3nc[nH]c(=O)c23)cc1 ZINC000096937284 JK Annotated Mild CCOC(=O)c1c[nH]nc1-c1sc(N(Cc2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC000096937377 JK Annotated Anodyne CCOC(=O)c1cn(-c2ccccc2)nc1-c1sc(N(C)c2ccccc2)nc1-c1ccccc1 ZINC000096937382 JK Annotated Anodyne COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(F)cc1F ZINC000096937412 JK Annotated Bother C/C=C(\C)c1c(Br)c(O)c(C)c2c1Oc1cc(O)c(Br)c(C)c1C(=O)O2 ZINC000096937417 JK Annotated Anodyne C/C=C(\C)c1c(Br)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 ZINC000096937418 JK Annotated Anodyne Cc1cccc(Nc2ccc(Nc3c(Cl)c(Cl)c(C#N)c(Cl)c3C#N)c3nc[nH]c(=O)c23)c1 ZINC000096937605 JK Annotated Mild Cc1ccccc1Nc1ccc(Nc2c(Cl)c(Cl)c(C#N)c(Cl)c2C#N)c2nc[nH]c(=O)c12 ZINC000096937606 JK Annotated Mild N#Cc1c(Cl)c(Cl)c(Nc2ccc(Nc3ccccc3)c3c(=O)[nH]cnc23)c(C#N)c1Cl ZINC000096937607 JK Annotated Mild S=c1n(CNc2ccccc2)nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 ZINC000096937746 JK Annotated Anodyne Fc1ccccc1NCn1nc(C23CC4CC(CC(C4)C2)C3)n(-c2ccc(Cl)cc2)c1=S ZINC000096937747 JK Annotated Anodyne Fc1ccc(NCn2nc(C34CC5CC(CC(C5)C3)C4)n(-c3ccc(Cl)cc3)c2=S)cc1 ZINC000096937748 JK Annotated Anodyne S=c1n(CNc2ccccc2Cl)nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 ZINC000096937749 JK Annotated Anodyne Fc1cccc(F)c1NCn1nc(C23CC4CC(CC(C4)C2)C3)n(-c2ccc(Cl)cc2)c1=S ZINC000096937754 JK Annotated Anodyne CCOc1ccc(NCn2nc(C34CC5CC(CC(C5)C3)C4)n(-c3ccc(Cl)cc3)c2=S)cc1 ZINC000096937756 JK Annotated Anodyne Cn1c(C23CC4CC(CC(C4)C2)C3)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000096937759 JK Annotated Anodyne CCN1CCN(Cn2nc(C34CC5CC(CC(C5)C3)C4)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000096937760 JK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc(Br)cc2)OC1=O ZINC000096938005 JK Annotated Mild CC(C)=C[C@@H]1[C@@H](OC(=O)c2ccc(F)cc2C(F)(F)F)C(=O)C=CN1C(=O)Oc1ccccc1 ZINC000096938181 JK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000096938189 JK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1C(F)(F)F ZINC000096938190 JK Annotated Mild Cc1csc([C@@H]2[C@@H](OC(=O)N(C)c3ccccc3)C(=O)C=CN2C(=O)Oc2ccccc2)c1 ZINC000096938192 JK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000096938201 JK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000096938202 JK Annotated Mild Brc1ccc(COc2ccc([C@H](Nc3nc4ccccc4s3)C3CC3)cc2)cc1 ZINC000096938213 JK Annotated Anodyne Brc1ccc(COc2ccc([C@@H](Nc3nc4ccccc4s3)C3CC3)cc2)cc1 ZINC000096938214 JK Annotated Anodyne CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(C(F)(F)F)cc1)S2 ZINC000096938413 JK Annotated Mild CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(C(F)(F)F)cc1)S2 ZINC000096938414 JK Annotated Mild CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(Br)cc1)S2 ZINC000096938460 JK Annotated Mild CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(Br)cc1)S2 ZINC000096938461 JK Annotated Mild CCCN1CCC(CNCc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000096938526 JK Annotated Anodyne CCCN1CCC(CNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000096938527 JK Annotated Bother COc1cc(/C=C/C(=O)Nc2ccc(C)cc2N)ccc1OCC(=O)Nc1cc(F)cc(Cl)c1 ZINC000096938644 JK Annotated Anodyne COc1cc(/C=C/C(=O)Nc2ccc(C)cc2N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000096938645 JK Annotated Anodyne O=C1N(Cc2ccc(Cl)cc2Cl)c2cccn2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000096938778 JK Annotated Anodyne CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1 ZINC000096938920 JK Annotated Reactive CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c(O)c1 ZINC000096938931 JK Annotated Reactive Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(N2CCCCC2)CC1 ZINC000096938990 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=C([N+](=O)[O-])C[C@H]3[C@@H]4CC/C(=C\c5ccccn5)[C@@]4(C)CC[C@@H]32)C1 ZINC000096939223 JK Annotated Anodyne FC(F)(F)c1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939325 JK Annotated Anodyne O=[S@@](c1cccc(C(F)(F)F)c1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000096939328 JK Annotated Anodyne O=[S@](c1cccc(C(F)(F)F)c1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000096939329 JK Annotated Anodyne O=[S@](c1cc2ccccc2[n+](CCCCCc2ccccc2)c1)c1ccccc1C(F)(F)F ZINC000096939330 JK Annotated Anodyne O=[S@@](c1cc2ccccc2[n+](CCCCCc2ccccc2)c1)c1ccccc1C(F)(F)F ZINC000096939331 JK Annotated Anodyne O=[S@](c1cc2ccccc2[n+](CCCCCc2ccccc2)c1)c1ccccc1Br ZINC000096939332 JK Annotated Anodyne O=[S@@](c1cc2ccccc2[n+](CCCCCc2ccccc2)c1)c1ccccc1Br ZINC000096939333 JK Annotated Anodyne O=[S@@](c1ccc(Br)cc1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000096939334 JK Annotated Anodyne O=[S@](c1ccc(Br)cc1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000096939335 JK Annotated Anodyne O=[S@@](c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000096939336 JK Annotated Anodyne O=[S@](c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 ZINC000096939337 JK Annotated Anodyne CC(C)(C)c1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939339 JK Annotated Anodyne Brc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000096939346 JK Annotated Anodyne Brc1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000096939347 JK Annotated Anodyne Brc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939348 JK Annotated Anodyne CCc1c(O)nc(SCc2ccc(OC)cc2)nc1C(=O)c1cccc(Br)c1 ZINC000096939929 JK Annotated Anodyne COc1ccc(CSc2nc(O)c(C(C)C)c(C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000096939932 JK Annotated Anodyne O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NCc2ccccc2)cc1 ZINC000096940056 JK Annotated Anodyne O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CCCCC1 ZINC000096940067 JK Annotated Anodyne COc1ccc(C2=CC(=O)Cc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c32)cc1 ZINC000096940127 JK Annotated Mild Cc1cc2oc(=O)cc(-c3cccc([N+](=O)[O-])c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940131 JK Annotated Bother COC(=O)c1cccc(-c2cc(=O)oc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)c1 ZINC000096940137 JK Annotated Anodyne COc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)nc1-c1ccccc1 ZINC000096940283 JK Annotated Anodyne Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(N2CCCCC2)c1 ZINC000096940286 JK Annotated Anodyne Clc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1N1CCCCC1 ZINC000096940301 JK Annotated Anodyne CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccco3)c3c2OC(C)(C)C=C3)cc1 ZINC000096940307 JK Annotated Mild CCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc(N(CC)CC)cc2)c2c1C=CC(C)(C)O2 ZINC000096940308 JK Annotated Mild COc1cccc(CN2CCCN(Cc3ccccc3F)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000098067411 JK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000098081943 JK Annotated Anodyne O=[S@](Cc1nc(OCC(F)(F)F)c2c(-c3ccccc3)csc2n1)c1nc2ccccc2[nH]1 ZINC000098082007 JK Annotated Anodyne O=[S@@](Cc1nc(OCC(F)(F)F)c2c(-c3ccccc3)csc2n1)c1nc2ccccc2[nH]1 ZINC000098082008 JK Annotated Anodyne COc1nc(C[S@@](=O)c2nc3ccccc3[nH]2)nc2scc(-c3ccc(Cl)cc3)c12 ZINC000098082011 JK Annotated Anodyne COc1nc(C[S@](=O)c2nc3ccccc3[nH]2)nc2scc(-c3ccc(Cl)cc3)c12 ZINC000098082012 JK Annotated Anodyne O=C(NC1CCCCC1)c1cc(Sc2ccc(NC(=S)Nc3ccc(F)c(F)c3)cc2)ccn1 ZINC000098082020 JK Annotated Anodyne c1ccc2c(c1)Sc1cccnc1N2CCCCCCN1c2ccccc2Sc2cccnc21 ZINC000098082032 JK Annotated Anodyne COc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000098082166 JK Annotated Reactive COc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000098082167 JK Annotated Reactive O=C1/C(=C\c2cc3ccccc3nc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000098082281 JK Annotated Anodyne Cc1ccc2nc(Cl)c(/C=C3\C(=O)N(c4c(Cl)cccc4Cl)c4ccccc43)cc2c1 ZINC000098082282 JK Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)n1 ZINC000098082312 JK Annotated Anodyne Cc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC000098082315 JK Annotated Anodyne Cc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098082370 JK Annotated Reactive Cc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098082371 JK Annotated Reactive COc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098082372 JK Annotated Reactive COc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098082373 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(F)cc1 ZINC000098082374 JK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccc(F)cc1 ZINC000098082375 JK Annotated Reactive COc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098082376 JK Annotated Reactive COc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098082377 JK Annotated Reactive Cc1c(CNC(=O)CCc2c[nH]c3ccc(Cl)cc23)c2cc(OC(F)(F)F)ccc2n1C ZINC000098082619 JK Annotated Anodyne Cc1ccc(Oc2nc3ccccc3cc2-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000098082663 JK Annotated Mild COc1ccc(Oc2nc3ccccc3cc2-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000098082664 JK Annotated Mild N#Cc1c(-c2cc3ccccc3nc2Oc2ccc(F)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000098082665 JK Annotated Mild Cc1ccc2nc(Oc3ccccc3)c(-c3c(C#N)c(N)n4c(nc5ccccc54)c3C#N)cc2c1 ZINC000098082666 JK Annotated Mild Cc1ccc(Oc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000098082667 JK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 ZINC000098082726 JK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000098082727 JK Annotated Mild C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1cccc(OC)c21 ZINC000098082791 JK Annotated Mild Cc1ccc(-n2cc(/C=N/n3c(-c4ccccc4C)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098082850 JK Annotated Mild COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098082903 JK Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098082904 JK Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098082905 JK Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098082906 JK Annotated Anodyne Brc1ccccc1-n1cc(Cn2c3ccccc3c3nc4ccccc4nc32)nn1 ZINC000098082907 JK Annotated Bother Cc1ccc2c(c1)nc1c(C#N)c(-c3cc4ccccc4nc3Oc3ccccc3)c(C#N)c(N)n12 ZINC000098082919 JK Annotated Mild Cc1ccc(Oc2nc3ccccc3cc2-c2c(C#N)c(N)n3c(nc4cc(C)ccc43)c2C#N)cc1 ZINC000098082920 JK Annotated Mild O=c1oc2ccc(Cl)cc2cc1-c1cn2nc(-c3c(O)[o+]nn3-c3ccc(Cl)cc3)sc2n1 ZINC000098082974 JK Annotated Anodyne CCCCC/C=C\CC[C@H](O)CCCCCCCC(=O)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000098083148 JK Annotated Anodyne CCCCC/C=C\CC[C@H](O)CCCCCCCC(=O)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000098083149 JK Annotated Anodyne CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000098083150 JK Annotated Anodyne CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000098083151 JK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000098083154 JK Annotated Mild CCCCCCCCCCCCCCCC(=O)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000098083155 JK Annotated Mild COc1ccc(Oc2nc3ccccc3cc2-c2c(C#N)c(N)n3c(nc4cc(C)ccc43)c2C#N)cc1 ZINC000098083176 JK Annotated Mild Cc1ccc2c(c1)nc1c(C#N)c(-c3cc4ccccc4nc3Oc3ccc(F)cc3)c(C#N)c(N)n12 ZINC000098083177 JK Annotated Mild Cc1ccc2nc(Oc3ccccc3)c(-c3c(C#N)c(N)n4c(nc5cc(C)ccc54)c3C#N)cc2c1 ZINC000098083178 JK Annotated Mild Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1 ZINC000098083182 JK Annotated Mild Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1 ZINC000098083183 JK Annotated Mild Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1 ZINC000098083184 JK Annotated Mild Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1 ZINC000098083185 JK Annotated Mild COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1 ZINC000098083186 JK Annotated Mild COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1 ZINC000098083187 JK Annotated Mild COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1 ZINC000098083188 JK Annotated Mild COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1 ZINC000098083189 JK Annotated Mild N#Cc1c(-c2ccccc2)cc(N2CCN(c3ccccc3F)CC2)n2c1nc1ccc(C(=O)O)cc12 ZINC000098083273 JK Annotated Mild CCN(CC)Cn1nc(-c2ccccc2Cl)n(-c2ccc(Br)cc2)c1=S ZINC000098083625 JK Annotated Anodyne COc1ccc(-[n+]2noc(O)c2Cn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000098083632 JK Annotated Anodyne O=C1CN(c2c(Cl)cc(Cl)cc2Cl)C(=O)CN1c1c(Cl)cc(Cl)cc1Cl ZINC000098083652 JK Annotated Anodyne CNC(=O)c1cc(Sc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)ccn1 ZINC000098083656 JK Annotated Anodyne C(=C/CN1c2ccccc2Sc2cccnc21)\CN1c2ccccc2Sc2cccnc21 ZINC000098083933 JK Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nc(OC)c4c(-c5ccc(Cl)cc5)csc4n3)nc2c1 ZINC000098083946 JK Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc(OC)c4c(-c5ccc(Cl)cc5)csc4n3)nc2c1 ZINC000098083947 JK Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nc(Cl)c4c(-c5ccccc5)csc4n3)nc2c1 ZINC000098083950 JK Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc(Cl)c4c(-c5ccccc5)csc4n3)nc2c1 ZINC000098083951 JK Annotated Anodyne Cc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084010 JK Annotated Reactive Cc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084011 JK Annotated Reactive Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098084012 JK Annotated Reactive Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098084013 JK Annotated Reactive COc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098084014 JK Annotated Reactive COc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098084015 JK Annotated Reactive Cc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084016 JK Annotated Reactive Cc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084017 JK Annotated Reactive Cc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000098084163 JK Annotated Bother COc1ccc2[nH]c([S@@](=O)Cc3nc(Cl)c4c(-c5ccc(Cl)cc5)csc4n3)nc2c1 ZINC000098084185 JK Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc(Cl)c4c(-c5ccc(Cl)cc5)csc4n3)nc2c1 ZINC000098084186 JK Annotated Anodyne Oc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000098084205 JK Annotated Clean Fc1ccc2c(c1)Sc1cccnc1N2CCCCN1c2ccc(F)cc2Sc2cccnc21 ZINC000098084210 JK Annotated Anodyne O=C(N[C@@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1 ZINC000098084231 JK Annotated Clean O=C(N[C@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1 ZINC000098084232 JK Annotated Clean CCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084261 JK Annotated Anodyne O=C1C(Cl)=C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)c2ccccc21 ZINC000098084387 JK Annotated Mild COc1ccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)c(OC)c1 ZINC000098084438 JK Annotated Bother COc1ccc(OC)c(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)c1 ZINC000098084439 JK Annotated Bother Cc1c(C(=O)Nc2ccc(-c3ccsc3)cc2)nn(CCCCCCl)c1-c1ccccc1 ZINC000098084462 JK Annotated Reactive COc1cc(OC)c(C2=CCN(C)CC2)c(OC)c1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 ZINC000098084520 JK Annotated Mild N#CNc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000098084534 JK Annotated Bother [N-]=[N+]=Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000098084535 JK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084571 JK Annotated Reactive COc1ccc2nc(Oc3ccc(C)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084572 JK Annotated Reactive COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098084573 JK Annotated Reactive COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098084574 JK Annotated Reactive COc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084575 JK Annotated Reactive COc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000098084576 JK Annotated Reactive COc1ccc(Oc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000098084663 JK Annotated Mild Cc1ccc2nc(Oc3ccc(F)cc3)c(-c3c(C#N)c(N)n4c(nc5ccccc54)c3C#N)cc2c1 ZINC000098084664 JK Annotated Mild O=C1C(SCc2ccc(Cl)cc2)=C(N2CCN(c3ccccc3F)CC2)C(=O)c2ccccc21 ZINC000098084669 JK Annotated Mild Nc1c(Cl)cc(Cl)cc1C1(Nc2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1=O ZINC000098084688 JK Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Nc4ccc(OC)cc4)c([N+](=O)[O-])cc3C(=O)C[C@H]21 ZINC000098084818 JK Annotated Bother Clc1ccc(-c2nn3c(Nc4nc5ccc(Cl)cc5s4)nnc3s2)c(Cl)c1 ZINC000098084862 JK Annotated Anodyne Cc1ccc(-n2cc(/C=N/n3c(-c4cccc(C)c4)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098084897 JK Annotated Mild Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2cn(-c3ccc(C)cc3)nc2-c2ccncc2)cc1 ZINC000098084898 JK Annotated Mild COc1ccc2nc(Oc3ccccc3)c(-c3c(C#N)c(N)n4c(nc5ccccc54)c3C#N)cc2c1 ZINC000098084919 JK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c(-c3c(C#N)c(N)n4c(nc5ccccc54)c3C#N)cc2c1 ZINC000098084920 JK Annotated Mild Cc1nc(-c2ccc(CCN3CCN(c4nc5ccccc5nc4Cl)CC3)cc2)c(C)s1 ZINC000098085114 JK Annotated Anodyne CNc1nc(-c2ccc(CCN3CCN(c4nc5ccccc5nc4Cl)CC3)cc2)c(C)s1 ZINC000098085115 JK Annotated Anodyne Cc1nc(-c2ccc(CCN3CCN(c4nc5ccccc5nc4Cl)CC3)cc2)cs1 ZINC000098085116 JK Annotated Anodyne Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000098085198 JK Annotated Bother Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cn(-c2ccccc2Br)nn1 ZINC000098085199 JK Annotated Bother Cc1ccc(Oc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)n3c(nc4cc(C)ccc43)c2C#N)cc1 ZINC000098085208 JK Annotated Mild Cc1ccc2nc(Oc3ccc(F)cc3)c(-c3c(C#N)c(N)n4c(nc5cc(C)ccc54)c3C#N)cc2c1 ZINC000098085210 JK Annotated Mild COc1ccc2nc(Oc3ccccc3)c(-c3c(C#N)c(N)n4c(nc5cc(C)ccc54)c3C#N)cc2c1 ZINC000098085211 JK Annotated Mild N#Cc1c(-c2cc3ccccc3nc2Oc2ccccc2)c(C#N)c2nc3ccccc3n2c1N ZINC000098085212 JK Annotated Mild CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)COC(=O)C[C@@]45C[C@@]35CC[C@]12C ZINC000098085327 JK Annotated Mild c1ccc(CNc2nnc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)s2)cc1 ZINC000098085367 JK Annotated Anodyne S=c1[nH]nc2c3c(c(-c4ccccc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 ZINC000098085409 JK Annotated Bother Cc1ccc(-c2nc3ccccc3c3c2c(-c2ccccc2)c(-c2ccccc2)n2c(=S)[nH]nc32)cc1 ZINC000098085424 JK Annotated Bother COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(n4nc(C)cc4C)=NC=N[C@H]32)cc1 ZINC000098085497 JK Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(n4nc(C)cc4C)=NC=N[C@@H]32)cc1 ZINC000098085498 JK Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(n4nc(C)cc4C)=NC=N[C@H]32)cc1 ZINC000098085499 JK Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(n4nc(C)cc4C)=NC=N[C@@H]32)cc1 ZINC000098085500 JK Annotated Anodyne CCN(CC)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)c1=S ZINC000098085694 JK Annotated Anodyne O=C(NC1CC1)c1cc(Sc2ccc(NC(=S)Nc3ccc(F)c(F)c3)cc2)ccn1 ZINC000098085739 JK Annotated Anodyne Cc1ccc2nc(Cl)c(/C=C3\C(=O)N(c4c(Cl)cccc4Cl)c4ccccc43)cc2c1C ZINC000098085785 JK Annotated Anodyne N#Cc1ccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1 ZINC000098174437 JK Annotated Anodyne Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cc(Br)cs2)cc1C(=O)O ZINC000098207952 JK Annotated Mild CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000098208368 JK Annotated Mild Cc1sc2ccc(Cl)cc2c1Cn1cc(CC(=O)O)c2ccc(-c3cc(N)cc(N)c3)cc21 ZINC000098209017 JK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc(Cl)cc3)c2C)cc1C ZINC000098209107 JK Annotated Anodyne